data_NMR-STAR.dic # version date - 2020-10-01 # The majority of the following item type definitions and descriptions for units # have been taken from the pdbx and mmCIF dictionaries. # The NMR-STAR dictionary has been constructed to be congruent with the pdbx # where the data being modeled are equivalent. In these cases, where possible # identical items have been used and the definitions for these items are # intended to be identical. _Datablock.ID NMR-STAR.dic _Datablock.Description ; This data block contains the NMR-STAR dictionary. ; _Dictionary.Title NMR-STAR.dic _Dictionary.Datablock_id NMR-STAR.dic _Dictionary.Version 3.2.14.0 loop_ _Dictionary_history.Version _Dictionary_history.Update _Dictionary_history.Revision 3.0.6.22 2007-01-01 ; Multiple updates to tags and categories implemented. ; 3.0.9.0 2008-06-04 ; Large number of new tags implemented. ; 3.1.1.54 2013-10-13 ; Save frames for MS, EMR, and FRET added. Spell checking on tag descriptions carried out. Many corrections and suggestions provided by PDBj-BMRB implemented. ; 3.1.1.55 2013-10-14 ; Category groups updated. ; 3.1.1.56 2014-10-14 ; Changed category group, and item group for X-ray_instrument to Xray_instrument ; 3.1.1.98 2015-08-19 ; Added tags for FID sampling ; stop_ ###################################################################### loop_ _Super_save_frame_group.ID _Super_save_frame_group.Name _Super_save_frame_group.Description _Super_save_frame_group.Dictionary_ID 1 entry_information ; The entry_information category super group captures general information describing the entry, any study where the entry is a member, and information regarding the processing of the entry and updates to the entry after its initial release to the public. ; NMR-STAR 2 citations ; The citations super category contains the references sited in the entry and the primary citation related to a specific entry. ; NMR-STAR 3 assembly_supercategory ; The assembly_supercategory contains the complete chemical description of the molecular assembly studied, additional reference information for the molecular assembly and its components, and links to information for the equivalent or similar molecular assemblies or biopolymer components in other databases. ; NMR-STAR 4 experimental_details ; The experimental_details super group category captures information about the samples, sample conditions, NMR spectrometers, NMR experiments, software descriptions, experimental details for data derived from coroborating experimental techniques, and other data regarding the experiments used to collect the NMR spectral data and to derive kinetic, thermodynamic, and structure information. ; NMR-STAR 5 NMR_parameters ; The NMR_parameters super group contains the category groups used to model NMR spectral parameters (e.g., chemical shifts, peak lists, coupling constants) or theoretically calculated parameters like chemical shifts and links to supporting information. ; NMR-STAR 6 kinetics ; The kinetics super group contains the category groups that model a variety of kinetic values that can be derived from NMR spectral data or data from coroberating techniques. ; NMR-STAR 7 thermodynamics ; The thermodynamic super group contains the category groups that contain the thermodynamic data that can be derived from NMR spectral data. ; NMR-STAR 8 structure ; The structure category super group captures atomic coordinates, constraints, statistical data, and other related information. ; NMR-STAR stop_ ###################################################################### loop_ _Save_frame_category.Name _Save_frame_category.Description _Save_frame_category.Super_save_frame_group_ID _Save_frame_category.Super_save_frame_group_name _Save_frame_category.Dictionary_ID 'deposited_data_files' ; Categories that capture information about the data files that are uploaded for depositions. ; 'R' NMR-STAR 'entry_interview' ; Categories that record an overview of the information to be deposited by an author. ; 'R' NMR-STAR 'study_list' ; Categories that describe a study of a molecular system that includes data from one or more entries. ; 'R' NMR-STAR 'entry_information' ; Categories that describe an entry. ; 'R' NMR-STAR 'citations' ; Categories that provide bibliographic references. ; 'R' NMR-STAR 'references' ; Categories that provide a list of references as a simple unparsed citations. ; 'R' NMR-STAR 'chem_comp' ; Categories that describe chemical components of entities and molecular assemblies (e.g., ligands, metal ions, cofactors). ; 'R' NMR-STAR 'entity' ; Categories that describe the polymer and non-polymer molecules that make up a molecular assembly. ; 'R' NMR-STAR 'assembly' ; Categories that describe a molecular assembly. ; 'R' NMR-STAR 'assembly_annotation' ; Categories that provide annotations for a molecular assembly. ; 'R' NMR-STAR 'assembly_subsystems' ; Categories that describe subsystems of a molecular assembly. ; 'R' NMR-STAR 'natural_source' ; Categories that describe the organism or other body found in nature that produces a molecular entity described in an entry. ; 'R' NMR-STAR 'experimental_source' ; Categories that describe the system used to produce a molecular entity for scientific experiments carried out to generated data for an entry. ; 'R' NMR-STAR 'sample' ; Categories that describe the contents and other details about the samples used in scientific experiments. ; 'R' NMR-STAR 'sample_conditions' ; Categories that describe the experimental conditions used in conducting individual scientific experiments. ; 'R' NMR-STAR 'molecule_purity' ; Categories that describe the measured purity of a molecular entity in a sample. ; 'R' NMR-STAR 'software' ; Categories that describe computer software. ; 'R' NMR-STAR 'method' ; Categories that describe software or physical methods used to produce a product or data. ; 'R' NMR-STAR 'Mass_spectrometer' ; Categories that describe a mass spectrometer. ; 'R' NMR-STAR 'Mass_spectrometer_list' ; Categories that describe a list of mass spectrometers and properties of the spectrometers listed. ; 'R' NMR-STAR 'Mass_spec_ref_compd' ; Categories that describe reference compounds used to calibrate mass spectral data. ; 'R' NMR-STAR 'chromatographic_system' ; Categories that describe a chromatographic system. ; 'R' NMR-STAR 'chromatographic_column' ; Categories that describe a chromatographic column. ; 'R' NMR-STAR 'fluorescence_instrument' ; Categories that describe a fluorescence instrument. ; 'R' NMR-STAR 'EMR_instrument' ; Categories that describe an EMR instrument. ; 'R' NMR-STAR 'Xray_instrument' ; Categories that describe a X-ray instrument. ; 'R' NMR-STAR 'NMR_spectrometer' ; Categories that describe an NMR spectrometer. ; 'R' NMR-STAR 'NMR_spectrometer_list' ; Categories that define a list of NMR spectrometers and their properties. ; 'R' NMR-STAR 'NMR_spectrometer_probe' ; Categories that describe an NMR spectrometer probe. ; 'R' NMR-STAR 'NMR_spectrometer_expt_list' ; Categories that define a list of NMR spectrometer experiments. ; NMR-STAR 'NMR_spectrometer_expt' ; Categories that describe an NMR spectrometer experiment in detail. ; 'R' NMR-STAR 'NMR_spectral_processing' ; Categories that describe how the data from an NMR spectrometer experiment has been processed. ; 'R' NMR-STAR 'experiment_list' ; Categories that describe a list of experiments. ; 'R' NMR-STAR 'MS_expt' ; Categories that describe a mass spectroscopy experiment. ; 'R' NMR-STAR 'FRET_expt' ; Categories that describe a fluorescence experiment. ; 'R' NMR-STAR 'EMR_expt' ; Categories that describe an electron magnetic resonance experiment. ; 'R' NMR-STAR 'SAXS_expt' ; Categories that describe a small angle X-ray scattering experiment. ; 'R' NMR-STAR 'computer' ; Categories that describe a computer. ; 'R' NMR-STAR 'computing_platform' ; Categories that describe a computing platform. ; 'R' NMR-STAR 'chem_shift_reference' ; Categories that capture information about the compounds and parameters used to reference NMR chemical shifts. ; 'R' NMR-STAR 'assigned_chemical_shifts' ; Categories that capture assigned chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the assigned chemical shifts were derived. ; 'R' NMR-STAR 'coupling_constants' ; Categories that capture coupling constant values and links to the samples, sample conditions, NMR experiments, and other information about how the coupling constants were derived. ; 'R' NMR-STAR 'theoretical_coupling_constants' ; Categories that capture theoretical coupling constant values and links to the software, samples, sample conditions, NMR experiments, and other information about how the theoretical coupling constants were derived. ; 'R' NMR-STAR 'spectral_peak_list' ; Categories that capture the properties of NMR spectral peaks, spectral parameters, and links to the NMR experiments and other information regarding the data. ; 'R' NMR-STAR 'resonance_linker' ; Categories that describe the linking of resonances to chemical spin systems and experimental results. ; 'R' NMR-STAR 'chem_shift_isotope_effect' ; Categories that capture chemical shift isotope effect values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'chem_shift_perturbation' ; Categories that capture chemical shift perturbations and links to the samples, sample conditions, NMR experiments, and other information about how the deviation values were derived. ; 'R' NMR-STAR 'chem_shift_anisotropy' ; Categories that capture chemical shift anisotropy values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'theoretical_chem_shifts' ; Categories that capture theoretical chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'chem_shifts_calc_type' ; Categories that define the type of calculation used to generate a list of theoretical chemical shifts for a molecule. ; 'R' NMR-STAR 'RDCs' ; Categories that capture residual dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'dipolar_couplings' ; Categories that capture dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'spectral_density_values' ; Categories that capture spectral density values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'other_data_types' ; Categories that capture the values for other kinds of data not modeled in specific category groups in the dictionary and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'chemical_rates' ; Categories that capture chemical rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed. ; 'R' NMR-STAR 'H_exch_rates' ; Categories that capture hydrogen exchange rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'H_exch_protection_factors' ; Categories that capture hydrogen exchange protection factor data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'homonucl_NOEs' ; Categories that capture homonuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'heteronucl_NOEs' ; Categories that capture heteronuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'theoretical_heteronucl_NOEs' ; Categories that capture theoretical heteronuclear NOE values and links to the software, samples, sample conditions, NMR experiments, and other information about how the values were derived. ; 'R' NMR-STAR 'heteronucl_T1_relaxation' ; Categories that capture heteronuclear T1/R1 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'theoretical_heteronucl_T1_relaxation' ; Categories that capture theoretical heteronuclear T1/R1 relaxation values and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'heteronucl_T1rho_relaxation' ; Categories that capture heteronuclear T1rho/R1rho relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'heteronucl_T2_relaxation' ; Categories that capture heteronuclear T2/R2 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'theoretical_heteronucl_T2_relaxation' ; Categories that capture theoretical heteronuclear T2/R2 relaxation values and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'auto_relaxation' ; Categories that capture auto relaxation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed. ; 'R' NMR-STAR 'theoretical_auto_relaxation' ; Categories that capture theoretical auto relaxation data and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed. ; 'R' NMR-STAR 'dipole_dipole_relaxation' ; Categories that capture dipole-dipole relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'dipole_dipole_cross_correlations' ; Categories that capture dipole-dipole cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'theoretical_dipole_dipole_cross_correlations' ; Categories that capture theoretical dipole-dipole cross correlation data and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'dipole_CSA_cross_correlations' ; Categories that capture dipole-CSA cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'order_parameters' ; Categories that capture order parameter values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'pH_titration' ; Categories that capture the pKa or pHmid values derived from a pH titration experiment and links to the experimental details. ; 'R' NMR-STAR 'pH_param_list' ; Categories that capture the NMR spectral parameters derived from a pH titration experiment. ; 'R' NMR-STAR 'D_H_fractionation_factors' ; Categories that capture deuterium-hydrogen fractionation factor values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; 'R' NMR-STAR 'binding_data' ; Categories that capture the binding data derived from a chemical binding experiment and links to the experimental details. ; 'R' NMR-STAR 'binding_param_list' ; Categories that capture the NMR spectral parameters derived from a chemical binding experiment. ; 'R' NMR-STAR 'deduced_secd_struct_features' ; Categories that capture secondary structure features deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the secondary structure features. ; 'R' NMR-STAR 'deduced_hydrogen_bonds' ; Categories that capture hydrogen bonds information deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the hydrogen bonds. ; 'R' NMR-STAR 'conformer_statistics' ; Categories that capture statistics derived from the three-dimensional conformers calculated for a biomolecule. ; 'R' NMR-STAR 'constraint_statistics' ; Categories that capture statistics derived from the constraints used to calculate the three-dimension conformers for a biomolecule and the constraint violations. ; 'R' NMR-STAR 'representative_conformer' ; Categories that capture the atomic coordinates for a representative conformer of a biomolecular system and links to the experimental conditions and data used to derive the conformer. ; 'R' NMR-STAR 'conformer_family_coord_set' ; Categories that capture the atomic coordinates for a family of conformers for a biomolecular system and links to the experimental conditions and data used to calculate the conformer family. ; 'R' NMR-STAR 'force_constants' ; Categories that describe the values for the force constants used in calculating a family of conformers for a biomolecular system. ; 'R' NMR-STAR 'angular_order_parameters' ; Categories that capture a set of angular order parameters calculated from a family of conformers. ; 'R' NMR-STAR 'tertiary_struct_elements' ; Categories that describe the tertiary structure elements found in the conformers calculated for a biomolecular system. ; 'R' NMR-STAR 'structure_annotation' ; Categories that describe annotations derived from PDB structure entries related to the BMRB entry and extracted from an external database or calculated by BMRB. ; 'R' NMR-STAR 'secondary_structs' ; Categories that describe the secondary structure elements found in the conformers calculated for a biomolecular system. ; 'R' NMR-STAR 'bond_annotation' ; Categories that capture annotations for the bonds found in the conformers calculated for a biomolecular system. ; 'R' NMR-STAR 'structure_interactions' ; Categories that describe the interactions between molecules in a biomolecular system that have been found through the analysis of the calculated conformers. ; 'R' NMR-STAR 'other_struct_features' ; Categories that provide a means for describing other structure features not specifically defined in other category groups. ; 'R' NMR-STAR 'tensor' ; Categories that describe the chemical shielding tensors for a theoretical chemical shift calculation. ; 'R' NMR-STAR 'interatomic_distance' ; Categories that describe a set of interatomic distances in a molecular assembly. ; 'R' NMR-STAR 'general_distance_constraints' ; Categories that capture the distance constraints in a simple table format used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'distance_constraints' ; Categories that capture the distance constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'floating_chiral_stereo_assign' ; Categories that capture the floating chirality stereo assignments used in calculating the conformers for a biomolecular system. ; 'R' NMR-STAR 'torsion_angle_constraints' ; Categories that capture the torsion angle distance constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'RDC_constraints' ; Categories that capture the residual dipolar coupling constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'J_three_bond_constraints' ; Categories that capture the three bond scalar coupling constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'CA_CB_chem_shift_constraints' ; Categories that capture the protein CA and CB chemical shift constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'H_chem_shift_constraints' ; Categories that capture the proton chemical shift constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'peak_constraint_links' ; Categories that provide links between constraints and the experimental data used to derive the constraints. ; 'R' NMR-STAR 'SAXS_constraints' ; Categories that capture the SAXS constraints used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'other_constraints' ; Categories that capture values for other kinds of constraints not specifically defined in other category groups used to calculate one or more conformers for a biomolecular system. ; 'R' NMR-STAR 'org_constr_file_comment' ; Categories that capture the comments extracted from one or more original constraint files. ; 'R' NMR-STAR 'MS_MZ_data' ; Categories that capture the MZ data from a mass spectrometry experiment. ; 'R' NMR-STAR 'MS_chromatogram' ; Categories that capture the data from a MS chromatogram. ; 'R' NMR-STAR 'experimental_data_derivation_links' ; Categories that capture the links between derived data and the source data used in the derivation. ; 'R' NMR-STAR 'software_specific_saveframes' ; Categories that capture a block of text written out by software tools as 'save frames'. A NEF specific data structure used to capture software output that may not meet STAR specifications. ; 'R' NMR-STAR 'applied_software' ; Categories that capture methods and scripts used by software reported in an entry. ; 'R' NMR-STAR 'applied_software_history' ; Categories that capture the software workflow used to produce the reported data. ; 'R' NMR-STAR stop_ ###################################################################### loop_ _Category_group.ID _Category_group.Name _Category_group.Description _Category_group.Dictionary_ID 1 'deposited_data_files' ; Categories that capture information about the data files that are uploaded for depositions. ; NMR-STAR 2 'entry_interview' ; Categories that record an overview of the information to be deposited by an author. ; NMR-STAR 3 'study_list' ; Categories that describe a study of a molecular system that includes data from one or more entries. ; NMR-STAR 4 'entry_information' ; Categories that describe an entry. ; NMR-STAR 5 'citations' ; Categories that provide bibliographic references. ; NMR-STAR 6 'references' ; Categories that provide a list of references as a simple unparsed citations. ; NMR-STAR 7 'chem_comp' ; Categories that describe chemical components of entities and molecular assemblies (e.g., ligands, metal ions, cofactors). ; NMR-STAR 8 'entity' ; Categories that describe the polymer and non-polymer molecules that make up a molecular assembly. ; NMR-STAR 9 'assembly' ; Categories that describe a molecular assembly. ; NMR-STAR 10 'assembly_annotation' ; Categories that provide annotations for a molecular assembly. ; NMR-STAR 11 'assembly_subsystems' ; Categories that describe subsystems of a molecular assembly. ; NMR-STAR 12 'natural_source' ; Categories that describe the organism or other body found in nature that produces a molecular entity described in an entry. ; NMR-STAR 13 'experimental_source' ; Categories that describe the system used to produce a molecular entity for scientific experiments carried out to generated data for an entry. ; NMR-STAR 14 'sample' ; Categories that describe the contents and other details about the samples used in scientific experiments. ; NMR-STAR 15 'sample_conditions' ; Categories that describe the experimental conditions used in conducting individual scientific experiments. ; NMR-STAR 16 'molecule_purity' ; Categories that describe the measured purity of a molecular entity in a sample. ; NMR-STAR 17 'software' ; Categories that describe computer software. ; NMR-STAR 18 'method' ; Categories that describe software or physical methods used to produce a product or data. ; NMR-STAR 19 'Mass_spectrometer' ; Categories that describe a mass spectrometer. ; NMR-STAR 20 'Mass_spectrometer_list' ; Categories that describe a list of mass spectrometers and properties of the spectrometers listed. ; NMR-STAR 21 'Mass_spec_ref_compd' ; Categories that describe reference compounds used to calibrate mass spectral data. ; NMR-STAR 22 'chromatographic_system' ; Categories that describe a chromatographic system. ; NMR-STAR 23 'chromatographic_column' ; Categories that describe a chromatographic column. ; NMR-STAR 24 'fluorescence_instrument' ; Categories that describe a fluorescence instrument. ; NMR-STAR 25 'EMR_instrument' ; Categories that describe an EMR instrument. ; NMR-STAR 26 'Xray_instrument' ; Categories that describe a X-ray instrument. ; NMR-STAR 27 'NMR_spectrometer' ; Categories that describe an NMR spectrometer. ; NMR-STAR 28 'NMR_spectrometer_list' ; Categories that define a list of NMR spectrometers and their properties. ; NMR-STAR 29 'NMR_spectrometer_probe' ; Categories that describe an NMR spectrometer probe. ; NMR-STAR 30 'NMR_spectrometer_expt_list' ; Categories that define a list of NMR spectrometer experiments. ; NMR-STAR 31 'NMR_spectrometer_expt' ; Categories that describe an NMR spectrometer experiment in detail. ; NMR-STAR 32 'NMR_spectral_processing' ; Categories that describe how the data from an NMR spectrometer experiment has been processed. ; NMR-STAR 33 'experiment_list' ; Categories that describe a list of experiments. ; NMR-STAR 34 'MS_expt' ; Categories that describe a mass spectroscopy experiment. ; NMR-STAR 35 'FRET_expt' ; Categories that describe a fluorescence experiment. ; NMR-STAR 36 'EMR_expt' ; Categories that describe an electron magnetic resonance experiment. ; NMR-STAR 37 'SAXS_expt' ; Categories that describe a small angle X-ray scattering experiment. ; NMR-STAR 38 'computer' ; Categories that describe a computer. ; NMR-STAR 39 'computing_platform' ; Categories that describe a computing platform. ; NMR-STAR 40 'chem_shift_reference' ; Categories that capture information about the compounds and parameters used to reference NMR chemical shifts. ; NMR-STAR 41 'assigned_chemical_shifts' ; Categories that capture assigned chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the assigned chemical shifts were derived. ; NMR-STAR 42 'coupling_constants' ; Categories that capture coupling constant values and links to the samples, sample conditions, NMR experiments, and other information about how the coupling constants were derived. ; NMR-STAR 43 'theoretical_coupling_constants' ; Categories that capture theoretical coupling constant values and links to the software, samples, sample conditions, NMR experiments, and other information about how the theoretical coupling constants were derived. ; NMR-STAR 44 'spectral_peak_list' ; Categories that capture the properties of NMR spectral peaks, spectral parameters, and links to the NMR experiments and other information regarding the data. ; NMR-STAR 45 'resonance_linker' ; Categories that describe the linking of resonances to chemical spin systems and experimental results. ; NMR-STAR 46 'chem_shift_isotope_effect' ; Categories that capture chemical shift isotope effect values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 47 'chem_shift_perturbation' ; Categories that capture chemical shift perturbations and links to the samples, sample conditions, NMR experiments, and other information about how the deviation values were derived. ; NMR-STAR 48 'chem_shift_anisotropy' ; Categories that capture chemical shift anisotropy values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 49 'theoretical_chem_shifts' ; Categories that capture theoretical chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 50 'chem_shifts_calc_type' ; Categories that define the type of calculation used to generate a list of theoretical chemical shifts for a molecule. ; NMR-STAR 51 'RDCs' ; Categories that capture residual dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 52 'dipolar_couplings' ; Categories that capture dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 53 'spectral_density_values' ; Categories that capture spectral density values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 54 'other_data_types' ; Categories that capture the values for other kinds of data not modeled in specific category groups in the dictionary and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 55 'chemical_rates' ; Categories that capture chemical rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed. ; NMR-STAR 56 'H_exch_rates' ; Categories that capture hydrogen exchange rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 57 'H_exch_protection_factors' ; Categories that capture hydrogen exchange protection factor data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 58 'homonucl_NOEs' ; Categories that capture homonuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 59 'heteronucl_NOEs' ; Categories that capture heteronuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 60 'theoretical_heteronucl_NOEs' ; Categories that capture theoretical heteronuclear NOE values and links to the software, samples, sample conditions, NMR experiments, and other information about how the values were derived. ; NMR-STAR 61 'heteronucl_T1_relaxation' ; Categories that capture heteronuclear T1/R1 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 62 'theoretical_heteronucl_T1_relaxation' ; Categories that capture theoretical heteronuclear T1/R1 relaxation values and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 63 'heteronucl_T1rho_relaxation' ; Categories that capture heteronuclear T1rho/R1rho relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 64 'heteronucl_T2_relaxation' ; Categories that capture heteronuclear T2/R2 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 65 'theoretical_heteronucl_T2_relaxation' ; Categories that capture theoretical heteronuclear T2/R2 relaxation values and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 66 'auto_relaxation' ; Categories that capture auto relaxation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed. ; NMR-STAR 67 'theoretical_auto_relaxation' ; Categories that capture theoretical auto relaxation data and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed. ; NMR-STAR 68 'dipole_dipole_relaxation' ; Categories that capture dipole-dipole relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 69 'dipole_dipole_cross_correlations' ; Categories that capture dipole-dipole cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 70 'theoretical_dipole_dipole_cross_correlations' ; Categories that capture theoretical dipole-dipole cross correlation data and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 71 'dipole_CSA_cross_correlations' ; Categories that capture dipole-CSA cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 72 'order_parameters' ; Categories that capture order parameter values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 73 'pH_titration' ; Categories that capture the pKa or pHmid values derived from a pH titration experiment and links to the experimental details. ; NMR-STAR 74 'pH_param_list' ; Categories that capture the NMR spectral parameters derived from a pH titration experiment. ; NMR-STAR 75 'D_H_fractionation_factors' ; Categories that capture deuterium-hydrogen fractionation factor values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived. ; NMR-STAR 76 'binding_data' ; Categories that capture the binding data derived from a chemical binding experiment and links to the experimental details. ; NMR-STAR 77 'binding_param_list' ; Categories that capture the NMR spectral parameters derived from a chemical binding experiment. ; NMR-STAR 78 'deduced_secd_struct_features' ; Categories that capture secondary structure features deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the secondary structure features. ; NMR-STAR 79 'deduced_hydrogen_bonds' ; Categories that capture hydrogen bonds information deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the hydrogen bonds. ; NMR-STAR 80 'conformer_statistics' ; Categories that capture statistics derived from the three-dimensional conformers calculated for a biomolecule. ; NMR-STAR 81 'constraint_statistics' ; Categories that capture statistics derived from the constraints used to calculate the three-dimension conformers for a biomolecule and the constraint violations. ; NMR-STAR 82 'representative_conformer' ; Categories that capture the atomic coordinates for a representative conformer of a biomolecular system and links to the experimental conditions and data used to derive the conformer. ; NMR-STAR 83 'conformer_family_coord_set' ; Categories that capture the atomic coordinates for a family of conformers for a biomolecular system and links to the experimental conditions and data used to calculate the conformer family. ; NMR-STAR 84 'force_constants' ; Categories that describe the values for the force constants used in calculating a family of conformers for a biomolecular system. ; NMR-STAR 85 'angular_order_parameters' ; Categories that capture a set of angular order parameters calculated from a family of conformers. ; NMR-STAR 86 'tertiary_struct_elements' ; Categories that describe the tertiary structure elements found in the conformers calculated for a biomolecular system. ; NMR-STAR 87 'structure_annotation' ; Categories that describe annotations derived from PDB structure entries related to the BMRB entry and extracted from an external database or calculated by BMRB. ; NMR-STAR 88 'secondary_structs' ; Categories that describe the secondary structure elements found in the conformers calculated for a biomolecular system. ; NMR-STAR 89 'bond_annotation' ; Categories that capture annotations for the bonds found in the conformers calculated for a biomolecular system. ; NMR-STAR 90 'structure_interactions' ; Categories that describe the interactions between molecules in a biomolecular system that have been found through the analysis of the calculated conformers. ; NMR-STAR 91 'other_struct_features' ; Categories that provide a means for describing other structure features not specifically defined in other category groups. ; NMR-STAR 92 'tensor' ; Categories that describe the chemical shielding tensors for a theoretical chemical shift calculation. ; NMR-STAR 93 'interatomic_distance' ; Categories that describe a set of interatomic distances in a molecular assembly. ; NMR-STAR 94 'general_distance_constraints' ; Categories that capture the distance constraints in a simple table format used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 95 'distance_constraints' ; Categories that capture the distance constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 96 'floating_chiral_stereo_assign' ; Categories that capture the floating chirality stereo assignments used in calculating the conformers for a biomolecular system. ; NMR-STAR 97 'torsion_angle_constraints' ; Categories that capture the torsion angle distance constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 98 'RDC_constraints' ; Categories that capture the residual dipolar coupling constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 99 'J_three_bond_constraints' ; Categories that capture the three bond scalar coupling constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 100 'CA_CB_chem_shift_constraints' ; Categories that capture the protein CA and CB chemical shift constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 101 'H_chem_shift_constraints' ; Categories that capture the proton chemical shift constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 102 'peak_constraint_links' ; Categories that provide links between constraints and the experimental data used to derive the constraints. ; NMR-STAR 103 'SAXS_constraints' ; Categories that capture the SAXS constraints used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 104 'other_constraints' ; Categories that capture values for other kinds of constraints not specifically defined in other category groups used to calculate one or more conformers for a biomolecular system. ; NMR-STAR 105 'org_constr_file_comment' ; Categories that capture the comments extracted from one or more original constraint files. ; NMR-STAR 106 'MS_MZ_data' ; Categories that capture the MZ data from a mass spectrometry experiment. ; NMR-STAR 107 'MS_chromatogram' ; Categories that capture the data from a MS chromatogram. ; NMR-STAR 108 'experimental_data_derivation_links' ; Categories that capture the links between derived data and the source data used in the derivation. ; NMR-STAR 109 'software_specific_saveframes' ; Categories that capture a block of text written out by software tools as 'save frames'. A NEF specific data structure used to capture software output that may not meet STAR specifications. ; NMR-STAR 110 'applied_software' ; Categories that capture methods and scripts used by software reported in an entry. ; NMR-STAR 111 'applied_software_history' ; Categories that capture the software workflow used to produce the reported data. ; NMR-STAR stop_ ###################################################################### save_item_types #################### ## ITEM_TYPE_LIST ## #################### # # # The regular expressions defined here are not compliant # with the POSIX 1003.2 standard as they include the # '\n' and '\t' special characters. These regular expressions # have been tested using the version 0.12 of Richard Stallman's # GNU regular expression libary in POSIX mode. # # # For some data items, a standard syntax is assumed. The syntax is # described for each data item in the dictionary, but is summarized here: # # Names: The family name(s) followed by a comma, precedes the first # name(s) or initial(s). # # Telephone numbers: # The international code is given in brackets and any extension # number is preceded by 'ext'. # # Dates: In the form yyyy-mm-dd. # ############################################################################## loop_ _Item_type.Code _Item_type.Primitive_code _Item_type.Construct _Item_type.Detail _Item_type.Python_regexp _Item_type.Python_regexp_detail _Item_type.Dictionary_ID code char '[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words ... ; '[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*' ? NMR-STAR ucode uchar '[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; '[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*' ? NMR-STAR line char '[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; char item types / multi-word items ... ; '[\[\] \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ? NMR-STAR uline uchar '[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; char item types / multi-word items (case insensitive)... ; '[\[\] \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ? NMR-STAR text char '[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; text item types / multi-line text ... ; '[\[\] \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ? NMR-STAR int numb '-?[0-9]+' ; int item types are the subset of numbers that are the negative or positive integers. ; '(?:-?[0-9]*)?' ? NMR-STAR float numb '-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?' ; int item types are the subset of numbers that are the floating numbers. ; '(?:-?[0-9]*\.?[0-9]+(?:[eE][-+]?[0-9]+)?)?' ? NMR-STAR name uchar '_[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+' ; name item types take the form... ; '_[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+' ? NMR-STAR idname uchar '[_A-Za-z0-9]+' ; idname item types take the form... ; '[_A-Za-z0-9]+' ? NMR-STAR any char '.*' ; A catch all for items that may take any form... ; '.*' ? NMR-STAR yyyy-mm-dd char '[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]' ; Standard format for CIF dates. ; '[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]' ? NMR-STAR uchar3 uchar '[+]?[A-Za-z0-9]?[A-Za-z0-9][A-Za-z0-9]' ; data item for 3 character codes ; '[+]?[A-Za-z0-9]?[A-Za-z0-9][A-Za-z0-9]' ? NMR-STAR uchar1 uchar '[+]?[A-Za-z0-9]' ; data item for 1 character codes ; '[+]?[A-Za-z0-9]' ? NMR-STAR yes_no char '(yes)|(no)' ; data item for boolean codes that have values of 'yes' or 'no' ; '(?:yes|no)?' ? NMR-STAR symop char '([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])?' ; symop item types take the form n_klm, where n refers to the symmetry operation that is applied to the coordinates in the ATOM_SITE category identified by _atom_site_label. It must match a number given in _symmetry_equiv_pos_site_id. k, l, and m refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used. These translations (x,y,z) are related to (k,l,m) by k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided. ; '([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])?' ? NMR-STAR atcode char '[][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; Character data type for atom names ... ; '[\[\] _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ? NMR-STAR yyyy-mm-dd:hh:mm char '[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])?' ; Standard format for CIF dates with optional time stamp. ; '[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])?' ? NMR-STAR fax uchar '[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; '\+?[0-9A-Za-z.()\s\-/]*' ? NMR-STAR phone uchar '[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; '\+?[0-9A-Za-z.()\s\-/]+' ? NMR-STAR email uchar '[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; '(?:[a-zA-Z0-9!#$%&'*+/=?^_`{|}~-]+(?:\.[a-z0-9!#$%&'*+/=?^_`{|}~-]+)*|"(?:[\x01-\x08\x0b\x0c\x0e-\x1f\x21\x23-\x5b\x5d-\x7f]|\\[\x01-\x09\x0b\x0c\x0e-\x7f])*")@(?:(?:[a-z0-9](?:[a-z0-9-]*[a-z0-9])?\.)+[a-z0-9](?:[a-z0-9-]*[a-z0-9])?|\[(?:(?:(2(5[0-5]|[0-4][0-9])|1[0-9][0-9]|[1-9]?[0-9]))\.){3}(?:(2(5[0-5]|[0-4][0-9])|1[0-9][0-9]|[1-9]?[0-9])|[a-z0-9-]*[a-z0-9]:(?:[\x01-\x08\x0b\x0c\x0e-\x1f\x21-\x5a\x53-\x7f]|\\[\x01-\x09\x0b\x0c\x0e-\x7f])+)\])?' ? NMR-STAR int-range numb '-?[0-9]+(--?[0-9]+)?' ; int item types are the subset of numbers that are the negative or positive integers with optional range. ; '-?[0-9]+(--?[0-9]+)?' ? NMR-STAR float-range numb '-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)?' ; int item types are the subset of numbers that are the floating numbers. ; '-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)?' ? NMR-STAR # binary char ; \n--CIF-BINARY-FORMAT-SECTION--\n\ [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\ \n--CIF-BINARY-FORMAT-SECTION---- ; ; binary items are presented as MIME-like ascii-encoded sections in an imgCIF. In a CBF, raw octet streams are used to convey the same information. ; ? ; \n--CIF-BINARY-FORMAT-SECTION--\n\ [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\ \n--CIF-BINARY-FORMAT-SECTION---- ; NMR-STAR # NMR-STAR additions framecode char '[.;:"&<>(){}'`~!$%A-Za-z0-9*|+-][_.;:"&<>(){}'`~!$%A-Za-z0-9*|+-]*' ; A value that points to a save frame. ; '[.;:"&<>(){}'`~!$%A-Za-z0-9*|+-][_.;:"&<>(){}'`~!$%A-Za-z0-9*|+-]*' ? NMR-STAR stop_ ##################### ## ITEM_UNITS_LIST ## ##################### loop_ _Item_units.ID _Item_units.Code _Item_units.Abbrv _Item_units.Detail _Item_units.Dictionary_ID # 1 'metres' m 'metres' NMR-STAR 2 'centimetres' cm 'centimetres (meters * 10^( -2))' NMR-STAR 3 'millimetres' mm 'millimetres (meters * 10^( -3))' NMR-STAR 4 'nanometres' nm 'nanometres (meters * 10^( -9))' NMR-STAR 5 'micrometres' ? 'micrometres (meters * 10^( -6))' NMR-STAR 6 'angstroms' ? 'angstroms (meters * 10^(-10))' NMR-STAR 7 'picometres' pm 'picometres (meters * 10^(-12))' NMR-STAR 8 'femtometres' fm 'femtometres (meters * 10^(-15))' NMR-STAR # 9 'reciprocal_centimetres' ? 'reciprocal centimetres (meters * 10^( -2)^-1)' NMR-STAR 10 'reciprocal_millimetres' ? 'reciprocal millimetres (meters * 10^( -3)^-1)' NMR-STAR 11 'reciprocal_micrometres' ? 'reciprocal micrometres (meters * 10^( -6)^-1)' NMR-STAR 12 'reciprocal_nanometres' ? 'reciprocal nanometres (meters * 10^( -9)^-1)' NMR-STAR 13 'reciprocal_angstroms' ? 'reciprocal angstroms (meters * 10^(-10)^-1)' NMR-STAR 14 'reciprocal_picometres' ? 'reciprocal picometres (meters * 10^(-12)^-1)' NMR-STAR # 15 'micrometres_squared' ? 'micrometres squared (meters * 10^( -6))^2' NMR-STAR 16 'nanometres_squared' ? 'nanometres squared (meters * 10^( -9))^2' NMR-STAR 17 'angstroms_squared' ? 'angstroms squared (meters * 10^(-10))^2' NMR-STAR 18 '8pi2_angstroms_squared' ? '8pi^2 * angstroms squared (meters * 10^(-10))^2' NMR-STAR 19 'picometres_squared' ? 'picometres squared (meters * 10^(-12))^2' NMR-STAR # 20 'micrometres_cubed' ? 'micrometres cubed (meters * 10^( -6))^3' NMR-STAR 21 'nanometres_cubed' ? 'nanometres cubed (meters * 10^( -9))^3' NMR-STAR 22 'angstroms_cubed' ? 'angstroms cubed (meters * 10^(-10))^3' NMR-STAR 23 'picometres_cubed' ? 'picometres cubed (meters * 10^(-12))^3' NMR-STAR # 24 'kilopascals' ? 'kilopascals' NMR-STAR 25 'gigapascals' ? 'gigapascals' NMR-STAR # 26 'hours' hr 'hours' NMR-STAR 27 'minutes' min 'minutes' NMR-STAR 28 'seconds' s 'seconds' NMR-STAR 29 'milliseconds ms 'milliseconds' NMR-STAR 30 'microseconds' us 'microseconds' NMR-STAR 31 'nanoseconds' ns 'nanoseconds' NMR-STAR # 32 'degrees' ? 'degrees (of arc)' NMR-STAR # 33 'degrees_per_minute' ? 'degrees (of arc) per minute' NMR-STAR # 34 'celsius' C 'degrees (of temperature) Celsius' NMR-STAR 35 'kelvins' K 'degrees (of temperature) Kelvin' NMR-STAR # 36 'electrons' ? 'electrons' NMR-STAR # 37 'electrons_squared' ? 'electrons squared' NMR-STAR # 38 'electrons_per_nanometres_cubed' ? ; electrons per nanometres cubed (meters * 10^( -9))^3 ; NMR-STAR # 39 'electrons_per_angstroms_cubed' ? ; electrons per angstroms cubed (meters * 10^(-10))^3 ; NMR-STAR # 40 'electrons_per_picometres_cubed' ? ; electrons per picometres cubed (meters * 10^(-12))^3 ; NMR-STAR # 41 'kilowatts' ? 'kilowatts' NMR-STAR # 42 'milliamperes' ? 'milliamperes' NMR-STAR # 43 'kilovolts' ? 'kilovolts' NMR-STAR # 44 'arbitrary' ? ; arbitrary system of units. ; NMR-STAR # 45 'angstroms_degrees' ? 'angstroms * degrees' NMR-STAR # 46 'degrees_squared' ? 'degrees squared' NMR-STAR # 47 'mg_per_ml' ? 'milligram per milliliter' NMR-STAR # 48 'ml_per_min' ? 'milliliter per minute' NMR-STAR # 49 'milliliters' ? 'liter / 1000' NMR-STAR # 50 'milligrams' ? 'grams / 1000' NMR-STAR # 51 'megadaltons' ? 'megadaltons' NMR-STAR # 52 'microns_squared' ? 'microns squared' NMR-STAR # 53 'microns' ? 'microns' NMR-STAR # 54 'millimeters' ? 'meters / 1000' NMR-STAR # 55 'electrons_angstrom_squared' ? 'electrons square angstrom' NMR-STAR # 56 'electron_volts' ? 'electron volts' NMR-STAR # 57 'mg/ml' ? 'mg per milliliter' NMR-STAR # 58 'millimolar' mM 'molar / 1000' NMR-STAR # 59 'megagrams_per_cubic_metre' ? 'megagrams per cubic metre' NMR-STAR # 60 'pixels_per_millimetre' ? 'pixels per millimetre' NMR-STAR # 61 'counts' ? 'counts' NMR-STAR # 62 'counts_per_photon' ? 'counts per photon' NMR-STAR # 63 'hertz' Hz '?' NMR-STAR # 64 'parts per million' ppm '?' NMR-STAR # # Need to add others relevant to NMR spectroscopy # May have to think about adding everything from the ACS booklet just to cover # most all possibilities # pressure units 65 'Pascal' Pa 'Newton per square meter' NMR-STAR 66 'Newton per square meter' N/m^2 'Newton per square meter' NMR-STAR 67 'atmospheric pressure' atm 'atmospheric pressure' NMR-STAR #pH units (no unit just number) #ionic strength units 68 'Mol per liter' mol/L 'Mol per liter' NMR-STAR 69 'Mol per cubic meter' mol/m^3 'Mol per cubic meter' NMR-STAR #field strength (Tesla) 70 'Tesla' T 'Tesla' NMR-STAR 71 'Gauss' G 'Gauss' NMR-STAR # gyromagnetic ratio 72 'Radian per second per Tesla' rad/S/T 'Radian per second per Tesla' NMR-STAR 73 'Coulomb per kilogram' C/kg 'Coulomb per kilogram' NMR-STAR # concentration units 74 'molar' M '1 mol/L' NMR-STAR 75 'millimolar' mM '10E-3 mol/L' NMR-STAR 75 'micromolar' ? '10E-6 mol/L' NMR-STAR 75 'nanomolar' nM '10E-9 mol/L' NMR-STAR 75 'picomolar' pM '10E-12 mol/L' NMR-STAR 75 'femtomolar' fM '10E-15 mol/L' NMR-STAR 75 'attomolar' aM '10E-18 mol/L' NMR-STAR #65 binding constant units stop_ loop_ _Item_units_conversion.From_code_item_units_ID _Item_units_conversion.From_code _Item_units_conversion.To_code_item_units_ID _Item_units_conversion.To_code _Item_units_conversion.Operator _Item_units_conversion.Factor _Item_units_conversion.Dictionary_ID ### 1 'metres' ? 'centimetres' '*' 1.0E+02 NMR-STAR 1 'metres' ? 'millimetres' '*' 1.0E+03 NMR-STAR 1 'metres' ? 'micrometres' '*' 1.0E+06 NMR-STAR 1 'metres' ? 'nanometres' '*' 1.0E+09 NMR-STAR 1 'metres' ? 'angstroms' '*' 1.0E+10 NMR-STAR 1 'metres' ? 'picometres' '*' 1.0E+12 NMR-STAR 1 'metres' ? 'femtometres' '*' 1.0E+15 NMR-STAR 2 'centimetres' ? 'millimetres' '*' 1.0E+01 NMR-STAR 2 'centimetres' ? 'micrometres' '*' 1.0E+04 NMR-STAR 2 'centimetres' ? 'nanometres' '*' 1.0E+07 NMR-STAR 2 'centimetres' ? 'angstroms' '*' 1.0E+08 NMR-STAR 2 'centimetres' ? 'picometres' '*' 1.0E+10 NMR-STAR 2 'centimetres' ? 'femtometres' '*' 1.0E+13 NMR-STAR # ? 'millimetres' ? 'centimetres' '*' 1.0E-01 NMR-STAR ? 'millimetres' ? 'micrometres' '*' 1.0E+03 NMR-STAR ? 'millimetres' ? 'nanometres' '*' 1.0E+06 NMR-STAR ? 'millimetres' ? 'angstroms' '*' 1.0E+07 NMR-STAR ? 'millimetres' ? 'picometres' '*' 1.0E+09 NMR-STAR ? 'millimetres' ? 'femtometres' '*' 1.0E+12 NMR-STAR # ? 'nanometres' ? 'centimetres' '*' 1.0E-07 NMR-STAR ? 'nanometres' ? 'millimetres' '*' 1.0E-06 NMR-STAR ? 'nanometres' ? 'angstroms' '*' 1.0E+01 NMR-STAR ? 'nanometres' ? 'picometres' '*' 1.0E+03 NMR-STAR ? 'nanometres' ? 'femtometres' '*' 1.0E+06 NMR-STAR # ? 'angstroms' ? 'centimetres' '*' 1.0E-08 NMR-STAR ? 'angstroms' ? 'millimetres' '*' 1.0E-07 NMR-STAR ? 'angstroms' ? 'nanometres' '*' 1.0E-01 NMR-STAR ? 'angstroms' ? 'picometres' '*' 1.0E+02 NMR-STAR ? 'angstroms' ? 'femtometres' '*' 1.0E+05 NMR-STAR # ? 'picometres' ? 'centimetres' '*' 1.0E-10 NMR-STAR ? 'picometres' ? 'millimetres' '*' 1.0E-09 NMR-STAR ? 'picometres' ? 'nanometres' '*' 1.0E-03 NMR-STAR ? 'picometres' ? 'angstroms' '*' 1.0E-02 NMR-STAR ? 'picometres' ? 'femtometres' '*' 1.0E+03 NMR-STAR # ? 'femtometres' ? 'centimetres' '*' 1.0E-13 NMR-STAR ? 'femtometres' ? 'millimetres' '*' 1.0E-12 NMR-STAR ? 'femtometres' ? 'nanometres' '*' 1.0E-06 NMR-STAR ? 'femtometres' ? 'angstroms' '*' 1.0E-05 NMR-STAR ? 'femtometres' ? 'picometres' '*' 1.0E-03 NMR-STAR ### ? 'reciprocal_centimetres' ? 'reciprocal_millimetres' '*' 1.0E-01 NMR-STAR ? 'reciprocal_centimetres' ? 'reciprocal_nanometres' '*' 1.0E-07 NMR-STAR ? 'reciprocal_centimetres' ? 'reciprocal_angstroms' '*' 1.0E-08 NMR-STAR ? 'reciprocal_centimetres' ? 'reciprocal_picometres' '*' 1.0E-10 NMR-STAR # ? 'reciprocal_millimetres' ? 'reciprocal_centimetres' '*' 1.0E+01 NMR-STAR ? 'reciprocal_millimetres' ? 'reciprocal_nanometres' '*' 1.0E-06 NMR-STAR ? 'reciprocal_millimetres' ? 'reciprocal_angstroms' '*' 1.0E-07 NMR-STAR ? 'reciprocal_millimetres' ? 'reciprocal_picometres' '*' 1.0E-09 NMR-STAR # ? 'reciprocal_nanometres' ? 'reciprocal_centimetres' '*' 1.0E+07 NMR-STAR ? 'reciprocal_nanometres' ? 'reciprocal_millimetres' '*' 1.0E+06 NMR-STAR ? 'reciprocal_nanometres' ? 'reciprocal_angstroms' '*' 1.0E-01 NMR-STAR ? 'reciprocal_nanometres' ? 'reciprocal_picometres' '*' 1.0E-03 NMR-STAR # ? 'reciprocal_angstroms' ? 'reciprocal_centimetres' '*' 1.0E+08 NMR-STAR ? 'reciprocal_angstroms' ? 'reciprocal_millimetres' '*' 1.0E+07 NMR-STAR ? 'reciprocal_angstroms' ? 'reciprocal_nanometres' '*' 1.0E+01 NMR-STAR ? 'reciprocal_angstroms' ? 'reciprocal_picometres' '*' 1.0E-02 NMR-STAR ? 'reciprocal_picometres' ? 'reciprocal_centimetres' '*' 1.0E+10 NMR-STAR ? 'reciprocal_picometres' ? 'reciprocal_millimetres' '*' 1.0E+09 NMR-STAR ? 'reciprocal_picometres' ? 'reciprocal_nanometres' '*' 1.0E+03 NMR-STAR ? 'reciprocal_picometres' ? 'reciprocal_angstroms' '*' 1.0E+01 NMR-STAR ### ? 'nanometres_squared' ? 'angstroms_squared' '*' 1.0E+02 NMR-STAR ? 'nanometres_squared' ? 'picometres_squared' '*' 1.0E+06 NMR-STAR # ? 'angstroms_squared' ? 'nanometres_squared' '*' 1.0E-02 NMR-STAR ? 'angstroms_squared' ? 'picometres_squared' '*' 1.0E+04 NMR-STAR ? 'angstroms_squared' ? '8pi2_angstroms_squared' '*' 78.9568 NMR-STAR # ? 'picometres_squared' ? 'nanometres_squared' '*' 1.0E-06 NMR-STAR ? 'picometres_squared' ? 'angstroms_squared' '*' 1.0E-04 NMR-STAR ### ? 'nanometres_cubed' ? 'angstroms_cubed' '*' 1.0E+03 NMR-STAR ? 'nanometres_cubed' ? 'picometres_cubed' '*' 1.0E+09 NMR-STAR # ? 'angstroms_cubed' ? 'nanometres_cubed' '*' 1.0E-03 NMR-STAR ? 'angstroms_cubed' ? 'picometres_cubed' '*' 1.0E+06 NMR-STAR # ? 'picometres_cubed' ? 'nanometres_cubed' '*' 1.0E-09 NMR-STAR ? 'picometres_cubed' ? 'angstroms_cubed' '*' 1.0E-06 NMR-STAR ### ? 'kilopascals' ? 'gigapascals' '*' 1.0E-06 NMR-STAR ? 'gigapascals' ? 'kilopascals' '*' 1.0E+06 NMR-STAR ### ? 'hours' ? 'minutes' '*' 6.0E+01 NMR-STAR ? 'hours' ? 'seconds' '*' 3.6E+03 NMR-STAR ? 'hours' ? 'microseconds' '*' 3.6E+09 NMR-STAR # ? 'minutes' ? 'hours' '/' 6.0E+01 NMR-STAR ? 'minutes' ? 'seconds' '*' 6.0E+01 NMR-STAR ? 'minutes' ? 'microseconds' '*' 6.0E+07 NMR-STAR # ? 'seconds' ? 'hours' '/' 3.6E+03 NMR-STAR ? 'seconds' ? 'minutes' '/' 6.0E+01 NMR-STAR ? 'seconds' ? 'microseconds' '*' 1.0E+06 NMR-STAR # ? 'microseconds' ? 'hours' '/' 3.6E+09 NMR-STAR ? 'microseconds' ? 'minutes' '/' 6.0E+07 NMR-STAR ? 'microseconds' ? 'seconds' '/' 1.0E+06 NMR-STAR ### ? 'celsius' ? 'kelvins' '-' 273.0 NMR-STAR ? 'kelvins' ? 'celsius' '+' 273.0 NMR-STAR ### stop_ save_ ############################################ # # Category and Item Descriptions # ############################################ save_Entry_interview _Category.Sf_category category_description _Category.Sf_framecode Entry_interview _Category.ID 1 _Category.Name 'Entry_interview' _category.Description ; Items in the entry_interview category capture information from a depositor about the data that is in the entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 2 _Category.Category_group_name entry_interview _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3 $_Entry_interview.Entry_ID '_Entry_interview.Entry_ID' 5 $_Entry_interview.ID '_Entry_interview.ID' 1 NMR-STAR stop_ save_ save__Entry_interview.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Sf_category' _Item.ID 1 _Item.Name '_Entry_interview.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entry_interview.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Sf_framecode' _Item.ID 2 _Item.Name '_Entry_interview.Sf_framecode' _Item.Description ; A code that uniquely identifies the save frame within the entry. The code can be a human readable identifier that defines the contents of the save frame (see the examples). ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entry_interview.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Entry_ID' _Item.ID 3 _Item.Name '_Entry_interview.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entry_interview.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Sf_ID' _Item.ID 4 _Item.Name '_Entry_interview.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_interview.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.ID' _Item.ID 5 _Item.Name '_Entry_interview.ID' _Item.Description ; Unique value identifying this save frame of category entry_interview within an entry. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_interview.PDB_deposition _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.PDB_deposition' _Item.ID 6 _Item.Name '_Entry_interview.PDB_deposition' _Item.Description ; Flag indicating that atomic coordinates are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry_interview.BMRB_deposition _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.BMRB_deposition' _Item.ID 7 _Item.Name '_Entry_interview.BMRB_deposition' _Item.Description ; Check this box, if you are depositing NMR experimental data to be archived at the BioMagResBank. With this box checked, after clicking on the 'Save Changes' button, you will be asked to enter additional information regarding the data submitted. Files con ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry_interview.View_mode _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.View_mode' _Item.ID 8 _Item.Name '_Entry_interview.View_mode' _Item.Description ; The 'view mode' buttons are used to select between a view of the PDB or the BMRB deposition requirements. The majority of the information you enter will apply to both a PDB and a BMRB deposition. When in the PDB view mode, a deposition can be submitted to ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'code' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry_interview.View_mode' PDB/BMRB ? 8 1 NMR-STAR '_Entry_interview.View_mode' 'BMRB Only' ? 8 1 NMR-STAR stop_ save_ save__Entry_interview.Use_previous_BMRB_entry _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Use_previous_BMRB_entry' _Item.ID 9 _Item.Name '_Entry_interview.Use_previous_BMRB_entry' _Item.Description ; A flag indicating that the PDB NMR structure deposition has been based on chemical shift data taken from an existing BMRB entry. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Previous_BMRB_entry_used _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Previous_BMRB_entry_used' _Item.ID 10 _Item.Name '_Entry_interview.Previous_BMRB_entry_used' _Item.Description ; The BMRB accession code for the BMRB entry with the chemical shift data used in the determination of the deposited coordinate file. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry_interview.Previous_BMRB_entry_owner _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Previous_BMRB_entry_owner' _Item.ID 11 _Item.Name '_Entry_interview.Previous_BMRB_entry_owner' _Item.Description ; A flag indicating that the BMRB entry from which chemical shift data was used to determine a structure was (yes) taken from another research group or was not (no). ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Structural_genomics _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Structural_genomics' _Item.ID 12 _Item.Name '_Entry_interview.Structural_genomics' _Item.Description ; Flag indicating if the deposition originates from a structural genomics project. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Ligands _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Ligands' _Item.ID 13 _Item.Name '_Entry_interview.Ligands' _Item.Description ; Flag indicating the presence of ligands, metal ions, or other small molecules in the molecular system studied. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Non_standard_residues _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Non_standard_residues' _Item.ID 14 _Item.Name '_Entry_interview.Non_standard_residues' _Item.Description ; Flag indicating the presence of non-standard residues in one or more biopolymers in the molecular system studied. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Small_mol_mixture _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Small_mol_mixture' _Item.ID 15 _Item.Name '_Entry_interview.Small_mol_mixture' _Item.Description ; Flag indicating that the deposition will contain data for samples containing a mixture of small molecules. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Constraints _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Constraints' _Item.ID 16 _Item.Name '_Entry_interview.Constraints' _Item.Description ; Flag indicating that structural constraints are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Assigned_chem_shifts _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Assigned_chem_shifts' _Item.ID 17 _Item.Name '_Entry_interview.Assigned_chem_shifts' _Item.Description ; Flag indicating that assigned chemical shifts are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Coupling_constants _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Coupling_constants' _Item.ID 18 _Item.Name '_Entry_interview.Coupling_constants' _Item.Description ; Flag indicating that scalar coupling constants are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Chem_shift_isotope_effect _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Chem_shift_isotope_effect' _Item.ID 19 _Item.Name '_Entry_interview.Chem_shift_isotope_effect' _Item.Description ; Flag indicating that chemical shift isotope data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Chem_shift_perturbation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Chem_shift_perturbation' _Item.ID 20 _Item.Name '_Entry_interview.Chem_shift_perturbation' _Item.Description ; Flag indicating that chemical shift perturbation are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Auto_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Auto_relaxation' _Item.ID 21 _Item.Name '_Entry_interview.Auto_relaxation' _Item.Description ; Flag indicating that auto relaxation data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Tensor _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Tensor' _Item.ID 22 _Item.Name '_Entry_interview.Tensor' _Item.Description ; Flag indicating that tensor data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Interatomic_distance _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Interatomic_distance' _Item.ID 23 _Item.Name '_Entry_interview.Interatomic_distance' _Item.Description ; Flag indicating that interatomic distance data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Chem_shift_anisotropy _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Chem_shift_anisotropy' _Item.ID 24 _Item.Name '_Entry_interview.Chem_shift_anisotropy' _Item.Description ; Flag indicating that chemical shift anisotropy values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Heteronucl_NOEs _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Heteronucl_NOEs' _Item.ID 25 _Item.Name '_Entry_interview.Heteronucl_NOEs' _Item.Description ; Flag indicating that heteronuclear NOEs are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Heteronucl_T1_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Heteronucl_T1_relaxation' _Item.ID 26 _Item.Name '_Entry_interview.Heteronucl_T1_relaxation' _Item.Description ; Flag indicating that heteronuclear T1 relaxation values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Heteronucl_T2_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Heteronucl_T2_relaxation' _Item.ID 27 _Item.Name '_Entry_interview.Heteronucl_T2_relaxation' _Item.Description ; Flag indicating that heteronuclear T2 relaxation values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Heteronucl_T1rho_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Heteronucl_T1rho_relaxation' _Item.ID 28 _Item.Name '_Entry_interview.Heteronucl_T1rho_relaxation' _Item.Description ; Flag indicating that heteronuclear T1rho relaxation values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Order_parameters _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Order_parameters' _Item.ID 29 _Item.Name '_Entry_interview.Order_parameters' _Item.Description ; Flag indicating that order parameter values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Dynamics_trajectory _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Dynamics_trajectory' _Item.ID 30 _Item.Name '_Entry_interview.Dynamics_trajectory' _Item.Description ; Flag indicating that a molecular dynamics trajectory file is being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Movie _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Movie' _Item.ID 31 _Item.Name '_Entry_interview.Movie' _Item.Description ; Flag indicating that a movie file is being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Image_file _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Image_file' _Item.ID 32 _Item.Name '_Entry_interview.Image_file' _Item.Description ; Flag indicating that an image file is being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Residual_dipolar_couplings _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Residual_dipolar_couplings' _Item.ID 33 _Item.Name '_Entry_interview.Residual_dipolar_couplings' _Item.Description ; Flag indicating that residual dipolar coupling values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.H_exchange_rate _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.H_exchange_rate' _Item.ID 34 _Item.Name '_Entry_interview.H_exchange_rate' _Item.Description ; Flag indicating that hydrogen exchange values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.H_exchange_protection_factors _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.H_exchange_protection_factors' _Item.ID 35 _Item.Name '_Entry_interview.H_exchange_protection_factors' _Item.Description ; Flag indicating that hydrogen exchange protection factor values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Chem_rate_constants _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Chem_rate_constants' _Item.ID 36 _Item.Name '_Entry_interview.Chem_rate_constants' _Item.Description ; Flag indicating that chemical rate constant values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Spectral_peak_lists _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Spectral_peak_lists' _Item.ID 37 _Item.Name '_Entry_interview.Spectral_peak_lists' _Item.Description ; Flag indicating that spectral peak lists are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Dipole_dipole_couplings _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Dipole_dipole_couplings' _Item.ID 38 _Item.Name '_Entry_interview.Dipole_dipole_couplings' _Item.Description ; Flag indicating that dipole-dipole coupling values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Quadrupolar_couplings _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Quadrupolar_couplings' _Item.ID 39 _Item.Name '_Entry_interview.Quadrupolar_couplings' _Item.Description ; Flag indicating that quadrupolar coupling values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Homonucl_NOEs _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Homonucl_NOEs' _Item.ID 40 _Item.Name '_Entry_interview.Homonucl_NOEs' _Item.Description ; Flag indicating that homonuclear NOE values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Dipole_dipole_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Dipole_dipole_relaxation' _Item.ID 41 _Item.Name '_Entry_interview.Dipole_dipole_relaxation' _Item.Description ; Flag indicating that dipole-dipole relaxation values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.DD_cross_correlation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.DD_cross_correlation' _Item.ID 42 _Item.Name '_Entry_interview.DD_cross_correlation' _Item.Description ; Flag indicating that cross correlation relaxation values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Dipole_CSA_cross_correlation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Dipole_CSA_cross_correlation' _Item.ID 43 _Item.Name '_Entry_interview.Dipole_CSA_cross_correlation' _Item.Description ; Flag indicating that dipole-Chemical shift anisotropy cross correlation relaxation data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Binding_constants _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Binding_constants' _Item.ID 44 _Item.Name '_Entry_interview.Binding_constants' _Item.Description ; Flag indicating that binding constant values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.PKa_value_data_set _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.PKa_value_data_set' _Item.ID 45 _Item.Name '_Entry_interview.PKa_value_data_set' _Item.Description ; Flag indicating that pKa values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.D_H_fractionation_factors _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.D_H_fractionation_factors' _Item.ID 46 _Item.Name '_Entry_interview.D_H_fractionation_factors' _Item.Description ; Flag indicating that deuterium-hydrogen fractionation factor values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_chem_shifts _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_chem_shifts' _Item.ID 47 _Item.Name '_Entry_interview.Theoretical_chem_shifts' _Item.Description ; Flag indicating that theoretical chamical shift values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_coupling_constants _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_coupling_constants' _Item.ID 48 _Item.Name '_Entry_interview.Theoretical_coupling_constants' _Item.Description ; Flag indicating that theoretical coupling constant values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_heteronucl_NOEs _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_heteronucl_NOEs' _Item.ID 49 _Item.Name '_Entry_interview.Theoretical_heteronucl_NOEs' _Item.Description ; Flag indicating that theoretical heteronuclear NOE values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_T1_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_T1_relaxation' _Item.ID 50 _Item.Name '_Entry_interview.Theoretical_T1_relaxation' _Item.Description ; Flag indicating that theoretical T1 (R1) values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_T2_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_T2_relaxation' _Item.ID 51 _Item.Name '_Entry_interview.Theoretical_T2_relaxation' _Item.Description ; Flag indicating that theoretical T2 (R2) values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_auto_relaxation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_auto_relaxation' _Item.ID 52 _Item.Name '_Entry_interview.Theoretical_auto_relaxation' _Item.Description ; Flag indicating that theoretical auto relaxation data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Theoretical_DD_cross_correlation _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Theoretical_DD_cross_correlation' _Item.ID 53 _Item.Name '_Entry_interview.Theoretical_DD_cross_correlation' _Item.Description ; Flag indicating that theoretical cross correlation relaxation values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Spectral_density_values _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Spectral_density_values' _Item.ID 54 _Item.Name '_Entry_interview.Spectral_density_values' _Item.Description ; Flag indicating that spectral density values are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Timedomain_data _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Timedomain_data' _Item.ID 55 _Item.Name '_Entry_interview.Timedomain_data' _Item.Description ; Flag indicating that time domain spectral data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Secondary_structure_orientations _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Secondary_structure_orientations' _Item.ID 56 _Item.Name '_Entry_interview.Secondary_structure_orientations' _Item.Description ; Flag indicating that secondary structure orientation data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Metabolite_coordinates _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Metabolite_coordinates' _Item.ID 57 _Item.Name '_Entry_interview.Metabolite_coordinates' _Item.Description ; Flag indicating that atomic coordinates for a metabolic compound are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Mass_spec_data _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Mass_spec_data' _Item.ID 58 _Item.Name '_Entry_interview.Mass_spec_data' _Item.Description ; Flag indicating that mass spectral data are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entry_interview.Other_kind_of_data _Item.Sf_category item_description _Item.Sf_framecode '_Entry_interview.Other_kind_of_data' _Item.ID 59 _Item.Name '_Entry_interview.Other_kind_of_data' _Item.Description ; Flag indicating that data of a kind not listed in the selections shown in the deposition interface are being deposited. ; _Item.Category_ID 1 _Item.Category_label $Entry_interview _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save_Deposited_data_files _Category.Sf_category category_description _Category.Sf_framecode Deposited_data_files _Category.ID 2 _Category.Name 'Deposited_data_files' _category.Description ; Items in the deposited_data_files category define the name and syntax for the author deposited atomic coordinate file and flags for the validation and precheck functions. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 1 _Category.Category_group_name deposited_data_files _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 62 $_Deposited_data_files.Entry_ID '_Deposited_data_files.Entry_ID' 64 $_Deposited_data_files.ID '_Deposited_data_files.ID' 2 NMR-STAR stop_ save_ save__Deposited_data_files.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Sf_category' _Item.ID 60 _Item.Name '_Deposited_data_files.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deposited_data_files.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Sf_framecode' _Item.ID 61 _Item.Name '_Deposited_data_files.Sf_framecode' _Item.Description ; STAR term for the name assigned to the save frame. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Deposited_data_files.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Entry_ID' _Item.ID 62 _Item.Name '_Deposited_data_files.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deposited_data_files.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Sf_ID' _Item.ID 63 _Item.Name '_Deposited_data_files.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Deposited_data_files.ID _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.ID' _Item.ID 64 _Item.Name '_Deposited_data_files.ID' _Item.Description ; Unique value identifying this save frame of category deposited_data_files within an entry. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Deposited_data_files.Atomic_coordinate_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Atomic_coordinate_file_name' _Item.ID 65 _Item.Name '_Deposited_data_files.Atomic_coordinate_file_name' _Item.Description ; Name for the file containing atomic coordinates uploaded to the databank. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deposited_data_files.Atomic_coordinate_file_syntax _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Atomic_coordinate_file_syntax' _Item.ID 66 _Item.Name '_Deposited_data_files.Atomic_coordinate_file_syntax' _Item.Description ; Syntax or format for the uploaded file containing atomic coordinates. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Deposited_data_files.Atomic_coordinate_file_syntax' mmCIF ? 66 2 NMR-STAR '_Deposited_data_files.Atomic_coordinate_file_syntax' PDB ? 66 2 NMR-STAR stop_ save_ save__Deposited_data_files.Constraint_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Constraint_file_name' _Item.ID 67 _Item.Name '_Deposited_data_files.Constraint_file_name' _Item.Description ; Name for the file containing structural constraints uploaded to the databank. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deposited_data_files.Constraint_file_syntax _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Constraint_file_syntax' _Item.ID 68 _Item.Name '_Deposited_data_files.Constraint_file_syntax' _Item.Description ; Syntax or format for the uploaded file containing structural constraints. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Deposited_data_files.Constraint_file_syntax' ARIA ? 68 2 NMR-STAR '_Deposited_data_files.Constraint_file_syntax' CNS ? 68 2 NMR-STAR '_Deposited_data_files.Constraint_file_syntax' CYANA ? 68 2 NMR-STAR '_Deposited_data_files.Constraint_file_syntax' DISCOVER ? 68 2 NMR-STAR '_Deposited_data_files.Constraint_file_syntax' X-PLOR ? 68 2 NMR-STAR stop_ save_ save__Deposited_data_files.Precheck_flag _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Precheck_flag' _Item.ID 69 _Item.Name '_Deposited_data_files.Precheck_flag' _Item.Description ; Flag indicating the choice of executing a precheck on the atomic coordinate file by the depositor. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Deposited_data_files.Validate_flag _Item.Sf_category item_description _Item.Sf_framecode '_Deposited_data_files.Validate_flag' _Item.ID 70 _Item.Name '_Deposited_data_files.Validate_flag' _Item.Description ; Flag indicating the choice of executing a validation procedure on the atomic coordinate file indicated by the depositor. ; _Item.Category_ID 2 _Item.Category_label $Deposited_data_files _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save_Upload_data _Category.Sf_category category_description _Category.Sf_framecode Upload_data _Category.ID 3 _Category.Name 'Upload_data' _category.Description ; Items in the upload_data category define the names and syntax for author deposited files containing quantitative data or other information. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 1 _Category.Category_group_name deposited_data_files _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 71 $_Upload_data.Data_file_ID '_Upload_data.Data_file_ID' 78 $_Upload_data.Entry_ID '_Upload_data.Entry_ID' 79 $_Upload_data.Deposited_data_files_ID '_Upload_data.Deposited_data_files_ID' 3 NMR-STAR stop_ save_ save__Upload_data.Data_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Data_file_ID' _Item.ID 71 _Item.Name '_Upload_data.Data_file_ID' _Item.Description ; Unique code assigned to the file being uploaded by the depositor and that contains data that will be incorporated into this entry. ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Upload_data.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Data_file_name' _Item.ID 72 _Item.Name '_Upload_data.Data_file_name' _Item.Description ; The directory path and file name for the data file that is to be uploaded. ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Upload_data.Data_file_content_type _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Data_file_content_type' _Item.ID 73 _Item.Name '_Upload_data.Data_file_content_type' _Item.Description ; Brief description of the kinds of data contained in the file. ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Upload_data.Data_file_content_type' . ? 73 3 NMR-STAR stop_ save_ save__Upload_data.Data_file_Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Data_file_Sf_category' _Item.ID 74 _Item.Name '_Upload_data.Data_file_Sf_category' _Item.Description ; The type of data contained in the file that is to be uploaded. ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Upload_data.Data_file_Sf_category' chem_shift_reference ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' assigned_chemical_shifts ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' coupling_constants ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_coupling_constants ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' spectral_peak_list ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' chem_shift_isotope_effect ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' chem_shift_perturbation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' chem_shift_anisotropy ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_chem_shifts ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' RDCs ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' dipolar_couplings ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' spectral_density_values ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' other_data_types ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' chemical_rates ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' H_exch_rates ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' H_exch_protection_factors ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' homonucl_NOEs ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' heteronucl_NOEs ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_heteronucl_NOEs ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' heteronucl_T1_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_heteronucl_T1_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' heteronucl_T1rho_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' heteronucl_T2_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_heteronucl_T2_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' auto_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_auto_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' dipole_dipole_relaxation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' dipole_dipole_cross_correlations ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' theoretical_dipole_dipole_cross_correlation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' dipole_CSA_cross_correlations ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' order_parameters ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' pH_titration ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' pH_param_list ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' D_H_fractionation_factors ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' binding_data ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' binding_param_list ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' angular_order_parameters ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' secondary_structs ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' bond_annotation ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' structure_interactions ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' other_struct_features ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' tensor ? 74 3 NMR-STAR '_Upload_data.Data_file_Sf_category' interatomic_distance ? 74 3 NMR-STAR stop_ save_ save__Upload_data.Data_file_syntax _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Data_file_syntax' _Item.ID 75 _Item.Name '_Upload_data.Data_file_syntax' _Item.Description ; The syntax or format of the file that is uploaded. ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Upload_data.Data_file_syntax' 'NMR-STAR 3.2' ? 75 3 NMR-STAR '_Upload_data.Data_file_syntax' 'NMR-STAR 3.1' ? 75 3 NMR-STAR '_Upload_data.Data_file_syntax' 'NMR-STAR 2.1' ? 75 3 NMR-STAR stop_ save_ save__Upload_data.Data_file_immutable_flag _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Data_file_immutable_flag' _Item.ID 76 _Item.Name '_Upload_data.Data_file_immutable_flag' _Item.Description ; A flag used during the deposition process to indicate that an uploaded file cannot be changed without reapplying the validation procedures. ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Upload_data.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Sf_ID' _Item.ID 77 _Item.Name '_Upload_data.Sf_ID' _Item.Description ; Pointer to '_Deposited_data_files.Sf_ID' ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Upload_data.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Entry_ID' _Item.ID 78 _Item.Name '_Upload_data.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Upload_data.Deposited_data_files_ID _Item.Sf_category item_description _Item.Sf_framecode '_Upload_data.Deposited_data_files_ID' _Item.ID 79 _Item.Name '_Upload_data.Deposited_data_files_ID' _Item.Description ; Pointer to '_Deposited_data_files.ID' ; _Item.Category_ID 3 _Item.Category_label $Upload_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Study_list _Category.Sf_category category_description _Category.Sf_framecode Study_list _Category.ID 4 _Category.Name 'Study_list' _category.Description ; Items in the study_list category define the save frame for the study description. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 3 _Category.Category_group_name study_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 82 $_Study_list.Entry_ID '_Study_list.Entry_ID' 84 $_Study_list.ID '_Study_list.ID' 4 NMR-STAR stop_ save_ save__Study_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Study_list.Sf_category' _Item.ID 80 _Item.Name '_Study_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 4 _Item.Category_label $Study_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Study_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Study_list.Sf_framecode' _Item.ID 81 _Item.Name '_Study_list.Sf_framecode' _Item.Description ; Character string that is unique to the save frame within the data block defined by a specific entry. The character string names the save frame and may be used to reference or to point to the save frame later in the data block. ; _Item.Category_ID 4 _Item.Category_label $Study_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Study_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_list.Entry_ID' _Item.ID 82 _Item.Name '_Study_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 4 _Item.Category_label $Study_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Study_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_list.Sf_ID' _Item.ID 83 _Item.Name '_Study_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 4 _Item.Category_label $Study_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Study_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_list.ID' _Item.ID 84 _Item.Name '_Study_list.ID' _Item.Description ; Unique value identifying this save frame of category study_list within an entry. ; _Item.Category_ID 4 _Item.Category_label $Study_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save_Study _Category.Sf_category category_description _Category.Sf_framecode Study _Category.ID 5 _Category.Name 'Study' _category.Description ; Items in the study category define the study of which the entry is a member. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 3 _Category.Category_group_name study_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 85 $_Study.ID '_Study.ID' 90 $_Study.Entry_ID '_Study.Entry_ID' 91 $_Study.Study_list_ID '_Study.Study_list_ID' 5 NMR-STAR stop_ save_ save__Study.ID _Item.Sf_category item_description _Item.Sf_framecode '_Study.ID' _Item.ID 85 _Item.Name '_Study.ID' _Item.Description ; Unique code that identifies a specific study. ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Study.Name _Item.Sf_category item_description _Item.Sf_framecode '_Study.Name' _Item.ID 86 _Item.Name '_Study.Name' _Item.Description ; Descriptive name given to a 'study' where a study is a collection of entries containing data for a set of related molecular systems or for a single molecular system but published in more than one citation (i.e. chemical shifts in one publication and atomi ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Study.Type _Item.Sf_category item_description _Item.Sf_framecode '_Study.Type' _Item.ID 87 _Item.Name '_Study.Type' _Item.Description ; A brief phrase that describes the study that was conducted. An enumerated list of types will be provided but an author will be able to provide their own description if none of the enumerated values are appropriate. ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Study.Type' 'Structure analysis' ? 87 5 NMR-STAR '_Study.Type' 'Mutant comparison' ? 87 5 NMR-STAR '_Study.Type' 'Interactions with different ligands' ? 87 5 NMR-STAR '_Study.Type' 'Chemical shift mapping' ? 87 5 NMR-STAR '_Study.Type' 'NMR signal assignment' ? 87 5 NMR-STAR '_Study.Type' 'Protein-protein interaction' ? 87 5 NMR-STAR '_Study.Type' 'Protein-ligand interaction' ? 87 5 NMR-STAR '_Study.Type' 'Structural and dynamics analysis' ? 87 5 NMR-STAR '_Study.Type' 'Stoichiometry problems' ? 87 5 NMR-STAR '_Study.Type' 'Dynamics analysis' ? 87 5 NMR-STAR '_Study.Type' 'pH titration' ? 87 5 NMR-STAR stop_ save_ save__Study.Details _Item.Sf_category item_description _Item.Sf_framecode '_Study.Details' _Item.ID 88 _Item.Name '_Study.Details' _Item.Description ; Text information relevant to the study are entered as a value for this tag. This tag is often used to include information that cannot be associated with a specific tag in the save frame but is important for the entry. The information entered must supplem ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Study.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study.Sf_ID' _Item.ID 89 _Item.Name '_Study.Sf_ID' _Item.Description ; Pointer to '_Study_list.Sf_ID' ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Study.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study.Entry_ID' _Item.ID 90 _Item.Name '_Study.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Study.Study_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study.Study_list_ID' _Item.ID 91 _Item.Name '_Study.Study_list_ID' _Item.Description ; Pointer to '_Study_list.ID' ; _Item.Category_ID 5 _Item.Category_label $Study _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Study_keyword _Category.Sf_category category_description _Category.Sf_framecode Study_keyword _Category.ID 6 _Category.Name 'Study_keyword' _category.Description ; Items in the study_keyword category capture keywords that describe a study of a biomolecular system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 3 _Category.Category_group_name study_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 92 $_Study_keyword.Study_ID '_Study_keyword.Study_ID' 93 $_Study_keyword.Keyword '_Study_keyword.Keyword' 95 $_Study_keyword.Entry_ID '_Study_keyword.Entry_ID' 96 $_Study_keyword.Study_list_ID '_Study_keyword.Study_list_ID' 6 NMR-STAR stop_ save_ save__Study_keyword.Study_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_keyword.Study_ID' _Item.ID 92 _Item.Name '_Study_keyword.Study_ID' _Item.Description ; Pointer to '_Study.ID' ; _Item.Category_ID 6 _Item.Category_label $Study_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Study_keyword.Keyword _Item.Sf_category item_description _Item.Sf_framecode '_Study_keyword.Keyword' _Item.ID 93 _Item.Name '_Study_keyword.Keyword' _Item.Description ; A word or brief phrase that can be used to describe or classify the study. ; _Item.Category_ID 6 _Item.Category_label $Study_keyword _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Study_keyword.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_keyword.Sf_ID' _Item.ID 94 _Item.Name '_Study_keyword.Sf_ID' _Item.Description ; Pointer to '_Study_list.Sf_ID' ; _Item.Category_ID 6 _Item.Category_label $Study_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Study_keyword.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_keyword.Entry_ID' _Item.ID 95 _Item.Name '_Study_keyword.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 6 _Item.Category_label $Study_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Study_keyword.Study_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_keyword.Study_list_ID' _Item.ID 96 _Item.Name '_Study_keyword.Study_list_ID' _Item.Description ; Pointer to '_Study_list.ID' ; _Item.Category_ID 6 _Item.Category_label $Study_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Study_entry_list _Category.Sf_category category_description _Category.Sf_framecode Study_entry_list _Category.ID 7 _Category.Name 'Study_entry_list' _category.Description ; Items in the study_entry_list category define a list of entries that together represent a study of a biomolecular system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 3 _Category.Category_group_name study_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 97 $_Study_entry_list.Study_ID '_Study_entry_list.Study_ID' 98 $_Study_entry_list.BMRB_accession_code '_Study_entry_list.BMRB_accession_code' 102 $_Study_entry_list.Entry_ID '_Study_entry_list.Entry_ID' 103 $_Study_entry_list.Study_list_ID '_Study_entry_list.Study_list_ID' 7 NMR-STAR stop_ save_ save__Study_entry_list.Study_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.Study_ID' _Item.ID 97 _Item.Name '_Study_entry_list.Study_ID' _Item.Description ; Pointer to '_Study.ID' not within the entry but across the database. ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Study_entry_list.BMRB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.BMRB_accession_code' _Item.ID 98 _Item.Name '_Study_entry_list.BMRB_accession_code' _Item.Description ; BMRB accession number for an entry that is a member of the study. ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Study_entry_list.BMRB_entry_description _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.BMRB_entry_description' _Item.ID 99 _Item.Name '_Study_entry_list.BMRB_entry_description' _Item.Description ; A keyword defining the relationship between the entry and the study. ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Study_entry_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.Details' _Item.ID 100 _Item.Name '_Study_entry_list.Details' _Item.Description ; Text providing additional information describing the relationship between the entry and the study. ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Study_entry_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.Sf_ID' _Item.ID 101 _Item.Name '_Study_entry_list.Sf_ID' _Item.Description ; Pointer to '_Study_list.Sf_ID' ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Study_entry_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.Entry_ID' _Item.ID 102 _Item.Name '_Study_entry_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Study_entry_list.Study_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Study_entry_list.Study_list_ID' _Item.ID 103 _Item.Name '_Study_entry_list.Study_list_ID' _Item.Description ; Pointer to '_Study_list.ID' ; _Item.Category_ID 7 _Item.Category_label $Study_entry_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entry _Category.Sf_category category_description _Category.Sf_framecode Entry _Category.ID 8 _Category.Name 'Entry' _category.Description ; Items in the entry category describe an entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 107 $_Entry.ID '_Entry.ID' 8 NMR-STAR stop_ save_ save__Entry.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Sf_category' _Item.ID 104 _Item.Name '_Entry.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entry.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Sf_framecode' _Item.ID 105 _Item.Name '_Entry.Sf_framecode' _Item.Description ; STAR framecode for this save frame. The value is defined as 'entry_information' for the entry information save frame in each entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entry.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Sf_ID' _Item.ID 106 _Item.Name '_Entry.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entry.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.ID' _Item.ID 107 _Item.Name '_Entry.ID' _Item.Description ; BMRB accession number for this entry ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'code' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entry.Title _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Title' _Item.ID 108 _Item.Name '_Entry.Title' _Item.Description ; A descriptive title for the entry. Something similar to the title of a scientific paper. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Entry.Type _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Type' _Item.ID 109 _Item.Name '_Entry.Type' _Item.Description ; The BMRB entry type with respect to the type of molecular system studied. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Type' macromolecule ? 109 8 NMR-STAR '_Entry.Type' metabolite ? 109 8 NMR-STAR '_Entry.Type' 'natural product' ? 109 8 NMR-STAR '_Entry.Type' 'other small molecule' ? 109 8 NMR-STAR '_Entry.Type' 'biological small molecule structure' ? 109 8 NMR-STAR stop_ save_ save__Entry.Version_type _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Version_type' _Item.ID 110 _Item.Name '_Entry.Version_type' _Item.Description ; Defines whether the current version of the entry is the original version or an updated version. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Version_type' original ? 110 8 NMR-STAR '_Entry.Version_type' update ? 110 8 NMR-STAR '_Entry.Version_type' obsolete ? 110 8 NMR-STAR stop_ save_ save__Entry.Submission_date _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Submission_date' _Item.ID 111 _Item.Name '_Entry.Submission_date' _Item.Description ; Date the entry was submitted to BMRB. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Accession_date _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Accession_date' _Item.ID 112 _Item.Name '_Entry.Accession_date' _Item.Description ; Date BMRB accession number was assigned to the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Last_release_date _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Last_release_date' _Item.ID 113 _Item.Name '_Entry.Last_release_date' _Item.Description ; Date the current version of th entry was released. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Original_release_date _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Original_release_date' _Item.ID 114 _Item.Name '_Entry.Original_release_date' _Item.Description ; Date the entry was originally released. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Origination _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Origination' _Item.ID 115 _Item.Name '_Entry.Origination' _Item.Description ; The value to this tag defines who entered the original data into the database. Entries taken from the literature and entered by BMRB staff are marked 'BMRB.' Entries supplied by authors are marked 'author' and entries taken from the PDB will be marked ' ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' save_ save__Entry.Format_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Format_name' _Item.ID 116 _Item.Name '_Entry.Format_name' _Item.Description ; The name of the file format being used to express this data set. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Format_name' NMR-STAR 'NMR-STAR file format' 116 8 NMR-STAR stop_ save_ save__Entry.NMR_STAR_version _Item.Sf_category item_description _Item.Sf_framecode '_Entry.NMR_STAR_version' _Item.ID 117 _Item.Name '_Entry.NMR_STAR_version' _Item.Description ; Version of NMR-STAR in which the current entry is formatted. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.NMR_STAR_version' 1.0 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 2.0 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 2.1 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 2.1.1 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.59 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.112 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.15 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.0.44 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.1 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.0.52 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.9.14 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.125 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.16 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.2.8 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.76 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.96 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.78 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.34 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.109 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.20 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.120 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.2.3 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.9.2 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.24 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.116 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.100 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.29 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.19 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.111 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.2.2 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.0.29 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.14 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.31 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.94 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.9.13 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.0.41 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.0.8.53 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.21 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.7 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.40 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.44 ? 117 8 NMR-STAR '_Entry.NMR_STAR_version' 3.1.1.61 ? 117 8 NMR-STAR stop_ save_ save__Entry.NMR_STAR_dict_location _Item.Sf_category item_description _Item.Sf_framecode '_Entry.NMR_STAR_dict_location' _Item.ID 118 _Item.Name '_Entry.NMR_STAR_dict_location' _Item.Description ; Location where the dictionary relevant to this entry content can be found. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Original_NMR_STAR_version _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Original_NMR_STAR_version' _Item.ID 119 _Item.Name '_Entry.Original_NMR_STAR_version' _Item.Description ; Version of NMR-STAR in which the original entry was generated. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Original_NMR_STAR_version' 1.0 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 2.0 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 2.1 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 2.1.1 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.1 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.100 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.59 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.58 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.1.1.15 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.112 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.111 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.2.8 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.9.14 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.125 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.9.2 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.96 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.78 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.34 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.109 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.120 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.1.0.46 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.1.1.31 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.94 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.1.1.21 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.9.13 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.116 ? 119 8 NMR-STAR '_Entry.Original_NMR_STAR_version' 3.0.8.53 ? 119 8 NMR-STAR stop_ save_ save__Entry.Experimental_method _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Experimental_method' _Item.ID 120 _Item.Name '_Entry.Experimental_method' _Item.Description ; The experimental method used to gather the data in the entry is given as the value to this tag. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Experimental_method' NMR ? 120 8 NMR-STAR '_Entry.Experimental_method' Theoretical ? 120 8 NMR-STAR stop_ save_ save__Entry.Experimental_method_subtype _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Experimental_method_subtype' _Item.ID 121 _Item.Name '_Entry.Experimental_method_subtype' _Item.Description ; Enter the type of NMR method used (e.g., solution, solid-state (powder), theoretical, etc.). ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Experimental_method_subtype' solution 'Experiments using solution samples' 121 8 NMR-STAR '_Entry.Experimental_method_subtype' solid-state 'Experiments using samples in the solid-state' 121 8 NMR-STAR '_Entry.Experimental_method_subtype' theoretical 'Data derived from theoretical calculations' 121 8 NMR-STAR stop_ save_ save__Entry.Source_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Source_data_format' _Item.ID 122 _Item.Name '_Entry.Source_data_format' _Item.Description ; The source format for data converted to NMR-STAR populating the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Source_data_format_version _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Source_data_format_version' _Item.ID 123 _Item.Name '_Entry.Source_data_format_version' _Item.Description ; The source format version for data converted from another format and included in the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Generated_software_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Generated_software_name' _Item.ID 124 _Item.Name '_Entry.Generated_software_name' _Item.Description ; The creator program name for this data file. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Generated_software_version _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Generated_software_version' _Item.ID 125 _Item.Name '_Entry.Generated_software_version' _Item.Description ; The creator program version for this data file. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Generated_software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Generated_software_ID' _Item.ID 126 _Item.Name '_Entry.Generated_software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entry.Generated_software_label _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Generated_software_label' _Item.ID 127 _Item.Name '_Entry.Generated_software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entry.Generated_date _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Generated_date' _Item.ID 128 _Item.Name '_Entry.Generated_date' _Item.Description ; The creation date for this data set. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.DOI _Item.Sf_category item_description _Item.Sf_framecode '_Entry.DOI' _Item.ID 129 _Item.Name '_Entry.DOI' _Item.Description ; The digital object identifier assigned to this document. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.UUID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.UUID' _Item.ID 130 _Item.Name '_Entry.UUID' _Item.Description ; The universal identifier for this data sert. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Related_coordinate_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Related_coordinate_file_name' _Item.ID 131 _Item.Name '_Entry.Related_coordinate_file_name' _Item.Description ; The coordinate data file name associated with this constraint data set. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Dep_release_code_coordinates _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Dep_release_code_coordinates' _Item.ID 132 _Item.Name '_Entry.Dep_release_code_coordinates' _Item.Description ; Select the status or terms to be applied for the release of the atomic coordinate data to the public. Depositors are encourage to make their data available to the public as quickly as possible. However, requests may be made to hold the data for a limited ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Dep_release_code_coordinates' 'Release now' 'Release immediately' 132 8 NMR-STAR '_Entry.Dep_release_code_coordinates' 'Hold for publication' 'Hold until primary citation is published' 132 8 NMR-STAR '_Entry.Dep_release_code_coordinates' 'Hold for 4 weeks' 'Hold for 4 weeks' 132 8 NMR-STAR '_Entry.Dep_release_code_coordinates' 'Hold for 8 weeks' 'Hold for 8 weeks' 132 8 NMR-STAR '_Entry.Dep_release_code_coordinates' 'Hold for 6 months' 'Hold for 6 months' 132 8 NMR-STAR '_Entry.Dep_release_code_coordinates' 'Hold for 1 year' 'Hold for 1 year' 132 8 NMR-STAR stop_ save_ save__Entry.Dep_release_code_nmr_constraints _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Dep_release_code_nmr_constraints' _Item.ID 133 _Item.Name '_Entry.Dep_release_code_nmr_constraints' _Item.Description ; Select the status or terms to be applied for the release of the NMR constraint data to the public. Depositors are encourage to make their data available to the public as quickly as possible. However, requests may be made to hold the data for a limited pe ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Dep_release_code_nmr_constraints' 'Release now' 'Release immediately' 133 8 NMR-STAR '_Entry.Dep_release_code_nmr_constraints' 'Hold for publication' 'Hold until primary citation is published' 133 8 NMR-STAR '_Entry.Dep_release_code_nmr_constraints' 'Hold for 4 weeks' 'Hold for 4 weeks' 133 8 NMR-STAR '_Entry.Dep_release_code_nmr_constraints' 'Hold for 8 weeks' 'Hold for 8 weeks' 133 8 NMR-STAR '_Entry.Dep_release_code_nmr_constraints' 'Hold for 6 months' 'Hold for 6 months' 133 8 NMR-STAR '_Entry.Dep_release_code_nmr_constraints' 'Hold for 1 year' 'Hold for 1 year' 133 8 NMR-STAR stop_ save_ save__Entry.Dep_release_code_chemical_shifts _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Dep_release_code_chemical_shifts' _Item.ID 134 _Item.Name '_Entry.Dep_release_code_chemical_shifts' _Item.Description ; Select the status or terms to be applied for the release of the NMR chemical shift data to the public. Depositors are encourage to make their data available to the public as quickly as possible. However, requests may be made to hold the data for a limite ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Dep_release_code_chemical_shifts' 'Release now' 'Release immediately' 134 8 NMR-STAR '_Entry.Dep_release_code_chemical_shifts' 'Hold for publication' 'Hold until primary citation is published' 134 8 NMR-STAR '_Entry.Dep_release_code_chemical_shifts' 'Hold for 4 weeks' 'Hold for 4 weeks' 134 8 NMR-STAR '_Entry.Dep_release_code_chemical_shifts' 'Hold for 8 weeks' 'Hold for 8 weeks' 134 8 NMR-STAR '_Entry.Dep_release_code_chemical_shifts' 'Hold for 6 months' 'Hold for 6 months' 134 8 NMR-STAR '_Entry.Dep_release_code_chemical_shifts' 'Hold for 1 year' 'Hold for 1 year' 134 8 NMR-STAR stop_ save_ save__Entry.Dep_release_code_nmr_exptl _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Dep_release_code_nmr_exptl' _Item.ID 135 _Item.Name '_Entry.Dep_release_code_nmr_exptl' _Item.Description ; Select the status or terms to be applied for the release of the NMR experimental data to the public. Depositors are encourage to make their data available to the public as quickly as possible. However, requests may be made to hold the data for a limited ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Dep_release_code_nmr_exptl' 'Release now' 'Release immediately' 135 8 NMR-STAR '_Entry.Dep_release_code_nmr_exptl' 'Hold for publication' 'Hold until primary citation is published' 135 8 NMR-STAR '_Entry.Dep_release_code_nmr_exptl' 'Hold for 4 weeks' 'Hold for 4 weeks' 135 8 NMR-STAR '_Entry.Dep_release_code_nmr_exptl' 'Hold for 8 weeks' 'Hold for 8 weeks' 135 8 NMR-STAR '_Entry.Dep_release_code_nmr_exptl' 'Hold for 6 months' 'Hold for 6 months' 135 8 NMR-STAR '_Entry.Dep_release_code_nmr_exptl' 'Hold for 1 year' 'Hold for 1 year' 135 8 NMR-STAR stop_ save_ save__Entry.Dep_release_code_sequence _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Dep_release_code_sequence' _Item.ID 136 _Item.Name '_Entry.Dep_release_code_sequence' _Item.Description ; Select the status or terms to be applied for the prerelease of the sequence information for the biopolymers to the public. Although the atomic coordinate and other data may be placed 'on hold', immediate release of the polymer sequence data will allow oth ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Dep_release_code_sequence' 'Release now' 'Release sequence information in status reports immediately' 136 8 NMR-STAR '_Entry.Dep_release_code_sequence' 'Hold for release' ? 136 8 NMR-STAR stop_ save_ save__Entry.CASP_target _Item.Sf_category item_description _Item.Sf_framecode '_Entry.CASP_target' _Item.ID 137 _Item.Name '_Entry.CASP_target' _Item.Description ; Flag indicating if the deposited structure is part of a CASP, CASD, or other project. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.CASP_target' CASP ? 137 8 NMR-STAR '_Entry.CASP_target' CASD-NMR ? 137 8 NMR-STAR '_Entry.CASP_target' FoldIt ? 137 8 NMR-STAR '_Entry.CASP_target' 'GPCR Dock' ? 137 8 NMR-STAR stop_ save_ save__Entry.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Details' _Item.ID 138 _Item.Name '_Entry.Details' _Item.Description ; An optional text description of the entry used to provide additional information above that given as values to other items in the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry.Special_processing_instructions _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Special_processing_instructions' _Item.ID 139 _Item.Name '_Entry.Special_processing_instructions' _Item.Description ; Author supplied instructions for the annotators to use in processing the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry.Update_BMRB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Update_BMRB_accession_code' _Item.ID 140 _Item.Name '_Entry.Update_BMRB_accession_code' _Item.Description ; Accession number for a BMRB entry that the current deposition is intended to update. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Replace_BMRB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Replace_BMRB_accession_code' _Item.ID 141 _Item.Name '_Entry.Replace_BMRB_accession_code' _Item.Description ; Accession number for a BMRB entry that the current deposition is intended to replace. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Update_PDB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Update_PDB_accession_code' _Item.ID 142 _Item.Name '_Entry.Update_PDB_accession_code' _Item.Description ; Accession number for a PDB entry that the current deposition is intended to update. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Replace_PDB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Replace_PDB_accession_code' _Item.ID 143 _Item.Name '_Entry.Replace_PDB_accession_code' _Item.Description ; Accession number for a PDB entry that the current deposition is intended to replace. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.PDB_coordinate_file_version _Item.Sf_category item_description _Item.Sf_framecode '_Entry.PDB_coordinate_file_version' _Item.ID 144 _Item.Name '_Entry.PDB_coordinate_file_version' _Item.Description ; Format version code for the PDB coordinate file that is the source of the PDB information included in the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.BMRB_update_details _Item.Sf_category item_description _Item.Sf_framecode '_Entry.BMRB_update_details' _Item.ID 145 _Item.Name '_Entry.BMRB_update_details' _Item.Description ; Text describing the reason for the update and the update itself. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry.PDB_update_details _Item.Sf_category item_description _Item.Sf_framecode '_Entry.PDB_update_details' _Item.ID 146 _Item.Name '_Entry.PDB_update_details' _Item.Description ; Text describing the data being deposited as an update for an existing entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry.Release_request _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Release_request' _Item.ID 147 _Item.Name '_Entry.Release_request' _Item.Description ; The condition choosen by the author for the release of the entry. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Release_request' 'Release now' 'Release immediately' 147 8 NMR-STAR '_Entry.Release_request' 'Hold for publication' 'Hold until primary citation is published' 147 8 NMR-STAR '_Entry.Release_request' 'Hold for 4 weeks' 'Hold for 4 weeks' 147 8 NMR-STAR '_Entry.Release_request' 'Hold for 8 weeks' 'Hold for 8 weeks' 147 8 NMR-STAR '_Entry.Release_request' 'Hold for 6 months' 'Hold for 6 months' 147 8 NMR-STAR '_Entry.Release_request' 'Hold for 1 year' 'Hold for 1 year' 147 8 NMR-STAR stop_ save_ save__Entry.Release_date_request _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Release_date_request' _Item.ID 148 _Item.Name '_Entry.Release_date_request' _Item.Description ; Date requested by the author for the release of the entry to the public. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Release_date_justification _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Release_date_justification' _Item.ID 149 _Item.Name '_Entry.Release_date_justification' _Item.Description ; Text justification for the release date request. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry.Status_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Status_code' _Item.ID 150 _Item.Name '_Entry.Status_code' _Item.Description ; Code for status of file. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Status_code' REL ? 150 8 NMR-STAR '_Entry.Status_code' HOLD ? 150 8 NMR-STAR '_Entry.Status_code' REV ? 150 8 NMR-STAR '_Entry.Status_code' BIB ? 150 8 NMR-STAR stop_ save_ save__Entry.Recvd_deposit_form _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_deposit_form' _Item.ID 151 _Item.Name '_Entry.Recvd_deposit_form' _Item.Description ; This code indicates whether the deposition form for an entry has been received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry.Date_deposition_form _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_deposition_form' _Item.ID 152 _Item.Name '_Entry.Date_deposition_form' _Item.Description ; The date the deposition form is received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Recvd_coordinates _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_coordinates' _Item.ID 153 _Item.Name '_Entry.Recvd_coordinates' _Item.Description ; This code indicates whether the coordinates for an entry have been received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry.Date_coordinates _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_coordinates' _Item.ID 154 _Item.Name '_Entry.Date_coordinates' _Item.Description ; The date the coordinates are received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Recvd_nmr_constraints _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_nmr_constraints' _Item.ID 155 _Item.Name '_Entry.Recvd_nmr_constraints' _Item.Description ; This code indicates whether the NMR constraint data for an entry have been received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry.Date_nmr_constraints _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_nmr_constraints' _Item.ID 156 _Item.Name '_Entry.Date_nmr_constraints' _Item.Description ; The date the NMR constraints are received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Recvd_chemical_shifts _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_chemical_shifts' _Item.ID 157 _Item.Name '_Entry.Recvd_chemical_shifts' _Item.Description ; This code indicates whether the NMR chemical shift data for an entry have been received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry.Date_chemical_shifts _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_chemical_shifts' _Item.ID 158 _Item.Name '_Entry.Date_chemical_shifts' _Item.Description ; The date the NMR chemical shift data are received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Recvd_manuscript _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_manuscript' _Item.ID 159 _Item.Name '_Entry.Recvd_manuscript' _Item.Description ; This code indicates whether the manuscript for an entry has been received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry.Date_manuscript _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_manuscript' _Item.ID 160 _Item.Name '_Entry.Date_manuscript' _Item.Description ; The date the manuscript is received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Recvd_author_approval _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_author_approval' _Item.ID 161 _Item.Name '_Entry.Recvd_author_approval' _Item.Description ; This code indicates whether the author's approval for an entry has been received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entry.Date_author_approval _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_author_approval' _Item.ID 162 _Item.Name '_Entry.Date_author_approval' _Item.Description ; The date the author's approval is received. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Recvd_initial_deposition_date _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Recvd_initial_deposition_date' _Item.ID 163 _Item.Name '_Entry.Recvd_initial_deposition_date' _Item.Description ; The date of initial deposition. (The first message for deposition has been received.) ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.PDB_date_submitted _Item.Sf_category item_description _Item.Sf_framecode '_Entry.PDB_date_submitted' _Item.ID 164 _Item.Name '_Entry.PDB_date_submitted' _Item.Description ; The date of complete deposition. This corresponds to the date at which the PDB identifier is assigned. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Author_release_status_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Author_release_status_code' _Item.ID 165 _Item.Name '_Entry.Author_release_status_code' _Item.Description ; The release status authorized by the depositor. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry.Author_release_status_code' REL 'Release' 165 8 NMR-STAR '_Entry.Author_release_status_code' HOLD 'On hold until yyyy-mm-dd' 165 8 NMR-STAR '_Entry.Author_release_status_code' HPUB 'On hold until publication' 165 8 NMR-STAR '_Entry.Author_release_status_code' OBS 'Entry has been obsoleted and replaced by another entry' 165 8 NMR-STAR '_Entry.Author_release_status_code' WDRN 'Entry has been withdrawn by depositor' 165 8 NMR-STAR stop_ save_ save__Entry.Date_of_PDB_release _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_of_PDB_release' _Item.ID 166 _Item.Name '_Entry.Date_of_PDB_release' _Item.Description ; PDB release date. This is the date that appears in the PDB REVDAT record. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Date_hold_coordinates _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_hold_coordinates' _Item.ID 167 _Item.Name '_Entry.Date_hold_coordinates' _Item.Description ; At an author's request, a coordinate entry may be held after processing for some period of time. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Date_hold_nmr_constraints _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_hold_nmr_constraints' _Item.ID 168 _Item.Name '_Entry.Date_hold_nmr_constraints' _Item.Description ; At an author's request, the NMR constraint data may be held after processing for some period of time. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.Date_hold_chemical_shifts _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Date_hold_chemical_shifts' _Item.ID 169 _Item.Name '_Entry.Date_hold_chemical_shifts' _Item.Description ; At an author's request, the NMR chemical shift data may be held after processing for some period of time. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry.PDB_deposit_site _Item.Sf_category item_description _Item.Sf_framecode '_Entry.PDB_deposit_site' _Item.ID 170 _Item.Name '_Entry.PDB_deposit_site' _Item.Description ; The site where the file was deposited. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.PDB_process_site _Item.Sf_category item_description _Item.Sf_framecode '_Entry.PDB_process_site' _Item.ID 171 _Item.Name '_Entry.PDB_process_site' _Item.Description ; The site where the file was processed. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.BMRB_deposit_site _Item.Sf_category item_description _Item.Sf_framecode '_Entry.BMRB_deposit_site' _Item.ID 172 _Item.Name '_Entry.BMRB_deposit_site' _Item.Description ; The location where the BMRB deposition was deposited. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.BMRB_process_site _Item.Sf_category item_description _Item.Sf_framecode '_Entry.BMRB_process_site' _Item.ID 173 _Item.Name '_Entry.BMRB_process_site' _Item.Description ; The location where the BMRB deposition was processed. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.BMRB_annotator _Item.Sf_category item_description _Item.Sf_framecode '_Entry.BMRB_annotator' _Item.ID 174 _Item.Name '_Entry.BMRB_annotator' _Item.Description ; The name of the BMRB annotator assigned to process the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.BMRB_internal_directory_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry.BMRB_internal_directory_name' _Item.ID 175 _Item.Name '_Entry.BMRB_internal_directory_name' _Item.Description ; The name of the disk directory where data is stored at BMRB. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry.RCSB_annotator _Item.Sf_category item_description _Item.Sf_framecode '_Entry.RCSB_annotator' _Item.ID 176 _Item.Name '_Entry.RCSB_annotator' _Item.Description ; The name of the RCSB annotator assigned to process the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Author_approval_type _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Author_approval_type' _Item.ID 177 _Item.Name '_Entry.Author_approval_type' _Item.Description ; This code indicates whether the author's approval for an entry was received explicitly or implicitly. The latter is automatically implied by failure to respond to the validation summary within the prescribed period. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry.Assigned_BMRB_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Assigned_BMRB_ID' _Item.ID 178 _Item.Name '_Entry.Assigned_BMRB_ID' _Item.Description ; The BMRB ID assigned to the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Assigned_BMRB_deposition_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Assigned_BMRB_deposition_code' _Item.ID 179 _Item.Name '_Entry.Assigned_BMRB_deposition_code' _Item.Description ; The BMRB deposition code assigned to the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Assigned_PDB_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Assigned_PDB_ID' _Item.ID 180 _Item.Name '_Entry.Assigned_PDB_ID' _Item.Description ; The PDB ID assigned to the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Assigned_PDB_deposition_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Assigned_PDB_deposition_code' _Item.ID 181 _Item.Name '_Entry.Assigned_PDB_deposition_code' _Item.Description ; The PDB deposition code assigned to the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry.Assigned_restart_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry.Assigned_restart_ID' _Item.ID 182 _Item.Name '_Entry.Assigned_restart_ID' _Item.Description ; The restart ID assigned to the deposition. ; _Item.Category_ID 8 _Item.Category_label $Entry _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Entry_experimental_methods _Category.Sf_category category_description _Category.Sf_framecode Entry_experimental_methods _Category.ID 9 _Category.Name 'Entry_experimental_methods' _category.Description ; Items in the entry_experimental_methods list and describe the experimental techniques used to collect the data in the entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 183 $_Entry_experimental_methods.ID '_Entry_experimental_methods.ID' 187 $_Entry_experimental_methods.Entry_ID '_Entry_experimental_methods.Entry_ID' 9 NMR-STAR stop_ save_ save__Entry_experimental_methods.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_experimental_methods.ID' _Item.ID 183 _Item.Name '_Entry_experimental_methods.ID' _Item.Description ; A unique identifier for each experimental method used to collect data for the entry. ; _Item.Category_ID 9 _Item.Category_label $Entry_experimental_methods _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_experimental_methods.Method _Item.Sf_category item_description _Item.Sf_framecode '_Entry_experimental_methods.Method' _Item.ID 184 _Item.Name '_Entry_experimental_methods.Method' _Item.Description ; The name of the experimental method used. ; _Item.Category_ID 9 _Item.Category_label $Entry_experimental_methods _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry_experimental_methods.Method' NMR ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' X-ray ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' SAXS ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' WAXS ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' EMR ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' FRET ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' MS ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' Theoretical ? 184 9 NMR-STAR '_Entry_experimental_methods.Method' MD ? 184 9 NMR-STAR stop_ save_ save__Entry_experimental_methods.Subtype _Item.Sf_category item_description _Item.Sf_framecode '_Entry_experimental_methods.Subtype' _Item.ID 185 _Item.Name '_Entry_experimental_methods.Subtype' _Item.Description ; The name of the submethod used, if appropriate. ; _Item.Category_ID 9 _Item.Category_label $Entry_experimental_methods _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry_experimental_methods.Subtype' solution 'Experiments using solution samples' 185 9 NMR-STAR '_Entry_experimental_methods.Subtype' solid-state 'Experiments using samples in the solid-state' 185 9 NMR-STAR stop_ save_ save__Entry_experimental_methods.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_experimental_methods.Sf_ID' _Item.ID 186 _Item.Name '_Entry_experimental_methods.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 9 _Item.Category_label $Entry_experimental_methods _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_experimental_methods.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_experimental_methods.Entry_ID' _Item.ID 187 _Item.Name '_Entry_experimental_methods.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 9 _Item.Category_label $Entry_experimental_methods _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Entry_proc_cycle _Category.Sf_category category_description _Category.Sf_framecode Entry_proc_cycle _Category.ID 10 _Category.Name 'Entry_proc_cycle' _category.Description ; Items in the entry_proc_cycle category provide information about the processing of an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 188 $_Entry_proc_cycle.Cycle_ID '_Entry_proc_cycle.Cycle_ID' 193 $_Entry_proc_cycle.Entry_ID '_Entry_proc_cycle.Entry_ID' 10 NMR-STAR stop_ save_ save__Entry_proc_cycle.Cycle_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_proc_cycle.Cycle_ID' _Item.ID 188 _Item.Name '_Entry_proc_cycle.Cycle_ID' _Item.Description ; This is a number of the processing cycle. ; _Item.Category_ID 10 _Item.Category_label $Entry_proc_cycle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_proc_cycle.Date_begin_cycle _Item.Sf_category item_description _Item.Sf_framecode '_Entry_proc_cycle.Date_begin_cycle' _Item.ID 189 _Item.Name '_Entry_proc_cycle.Date_begin_cycle' _Item.Description ; This is the date of the start of the processing cycle. ; _Item.Category_ID 10 _Item.Category_label $Entry_proc_cycle _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry_proc_cycle.Date_end_cycle _Item.Sf_category item_description _Item.Sf_framecode '_Entry_proc_cycle.Date_end_cycle' _Item.ID 190 _Item.Name '_Entry_proc_cycle.Date_end_cycle' _Item.Description ; This is the date of the end of the processing cycle. ; _Item.Category_ID 10 _Item.Category_label $Entry_proc_cycle _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entry_proc_cycle.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entry_proc_cycle.Details' _Item.ID 191 _Item.Name '_Entry_proc_cycle.Details' _Item.Description ; Special details about the current processing cycle. ; _Item.Category_ID 10 _Item.Category_label $Entry_proc_cycle _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry_proc_cycle.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_proc_cycle.Sf_ID' _Item.ID 192 _Item.Name '_Entry_proc_cycle.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 10 _Item.Category_label $Entry_proc_cycle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entry_proc_cycle.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_proc_cycle.Entry_ID' _Item.ID 193 _Item.Name '_Entry_proc_cycle.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 10 _Item.Category_label $Entry_proc_cycle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Entry_prerelease_seq _Category.Sf_category category_description _Category.Sf_framecode Entry_prerelease_seq _Category.ID 11 _Category.Name 'Entry_prerelease_seq' _category.Description ; Items in the entry_prerelease_seq category capture the sequences in one-letter form of entities that can be released to the public before the release of the full entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 194 $_Entry_prerelease_seq.Entity_ID '_Entry_prerelease_seq.Entity_ID' 198 $_Entry_prerelease_seq.Entry_ID '_Entry_prerelease_seq.Entry_ID' 11 NMR-STAR stop_ save_ save__Entry_prerelease_seq.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_prerelease_seq.Entity_ID' _Item.ID 194 _Item.Name '_Entry_prerelease_seq.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 11 _Item.Category_label $Entry_prerelease_seq _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_prerelease_seq.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Entry_prerelease_seq.Entity_label' _Item.ID 195 _Item.Name '_Entry_prerelease_seq.Entity_label' _Item.Description ; STAR framecode for the entity whose residue sequence is being provided as the value to the tag '_Entry_prerelease_seq.Seq_one_letter_code'. ; _Item.Category_ID 11 _Item.Category_label $Entry_prerelease_seq _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entry_prerelease_seq.Seq_one_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Entry_prerelease_seq.Seq_one_letter_code' _Item.ID 196 _Item.Name '_Entry_prerelease_seq.Seq_one_letter_code' _Item.Description ; Chemical sequence expressed as a string of one-letter amino acid or nucleic acid codes. ; _Item.Category_ID 11 _Item.Category_label $Entry_prerelease_seq _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entry_prerelease_seq.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_prerelease_seq.Sf_ID' _Item.ID 197 _Item.Name '_Entry_prerelease_seq.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 11 _Item.Category_label $Entry_prerelease_seq _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entry_prerelease_seq.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_prerelease_seq.Entry_ID' _Item.ID 198 _Item.Name '_Entry_prerelease_seq.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 11 _Item.Category_label $Entry_prerelease_seq _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Contact_person _Category.Sf_category category_description _Category.Sf_framecode Contact_person _Category.ID 12 _Category.Name 'Contact_person' _category.Description ; Items in the contact_person category capture information about the people that can be contacted to provide answers to questions raised during the annotation and processing of an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 199 $_Contact_person.ID '_Contact_person.ID' 221 $_Contact_person.Entry_ID '_Contact_person.Entry_ID' 12 NMR-STAR stop_ save_ save__Contact_person.ID _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.ID' _Item.ID 199 _Item.Name '_Contact_person.ID' _Item.Description ; Unique identifier within the entry for the named contact person. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Contact_person.Email_address _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Email_address' _Item.ID 200 _Item.Name '_Contact_person.Email_address' _Item.Description ; Business e-mail address for the contact person. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'email' save_ save__Contact_person.ORCID _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.ORCID' _Item.ID 201 _Item.Name '_Contact_person.ORCID' _Item.Description ; Unique personal identifier for researchers(Open Researcher and Contributor ID) used to link a researcher to their publications and grants. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Contact_person.Name_salutation _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Name_salutation' _Item.ID 202 _Item.Name '_Contact_person.Name_salutation' _Item.Description ; The salutation of the author of the deposition to whom correspondence should be addressed ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Contact_person.Name_salutation' Dr. ? 202 12 NMR-STAR '_Contact_person.Name_salutation' Prof. ? 202 12 NMR-STAR '_Contact_person.Name_salutation' Mr. ? 202 12 NMR-STAR '_Contact_person.Name_salutation' Ms. ? 202 12 NMR-STAR '_Contact_person.Name_salutation' Mrs. ? 202 12 NMR-STAR stop_ save_ save__Contact_person.Given_name _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Given_name' _Item.ID 203 _Item.Name '_Contact_person.Given_name' _Item.Description ; The name given the contact person at birth or currently used by the author for publication purposes. Can be an initial if the author uses a second name as a full name when publishing. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Contact_person.Family_name _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Family_name' _Item.ID 204 _Item.Name '_Contact_person.Family_name' _Item.Description ; The family name for the contact person. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Contact_person.Middle_initials _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Middle_initials' _Item.ID 205 _Item.Name '_Contact_person.Middle_initials' _Item.Description ; The initials for the contact person's middle names. A name can be used here if the contact person uses a middle name for publications. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Contact_person.Family_title _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Family_title' _Item.ID 206 _Item.Name '_Contact_person.Family_title' _Item.Description ; A common family title (not a professional title). ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Contact_person.Family_title' Sr. Senior 206 12 NMR-STAR '_Contact_person.Family_title' Jr. Junior 206 12 NMR-STAR '_Contact_person.Family_title' I First 206 12 NMR-STAR '_Contact_person.Family_title' II Second 206 12 NMR-STAR '_Contact_person.Family_title' III Third 206 12 NMR-STAR '_Contact_person.Family_title' IV Fourth 206 12 NMR-STAR '_Contact_person.Family_title' V Fifth 206 12 NMR-STAR stop_ save_ save__Contact_person.Department_and_institution _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Department_and_institution' _Item.ID 207 _Item.Name '_Contact_person.Department_and_institution' _Item.Description ; Department and institution where the contact person works. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Contact_person.Country _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Country' _Item.ID 208 _Item.Name '_Contact_person.Country' _Item.Description ; The country in the mailing address of the author of the entry to whom correspondence should be addresed. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Contact_person.State_province _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.State_province' _Item.ID 209 _Item.Name '_Contact_person.State_province' _Item.Description ; State or province where the contact person is located. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Contact_person.City _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.City' _Item.ID 210 _Item.Name '_Contact_person.City' _Item.Description ; The city in the mailing address of the author of the entry to whom correspondence should be addresed. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Contact_person.Postal_code _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Postal_code' _Item.ID 211 _Item.Name '_Contact_person.Postal_code' _Item.Description ; The postal code or zip code for the address of the contact person to whom correspondence should be addressed. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Contact_person.Mailing_address _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Mailing_address' _Item.ID 212 _Item.Name '_Contact_person.Mailing_address' _Item.Description ; A business mailing address for the contact person. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Contact_person.Address_1 _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Address_1' _Item.ID 213 _Item.Name '_Contact_person.Address_1' _Item.Description ; The mailing address of the author of the entry to whom correspondence should be addressed, line 1 of 3. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Contact_person.Address_2 _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Address_2' _Item.ID 214 _Item.Name '_Contact_person.Address_2' _Item.Description ; The mailing address of the author of the entry to whom correspondence should be addressed, line 2 of 3. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Contact_person.Address_3 _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Address_3' _Item.ID 215 _Item.Name '_Contact_person.Address_3' _Item.Description ; The mailing address of the author of the entry to whom correspondence should be addressed, line 3 of 3. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Contact_person.Phone_number _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Phone_number' _Item.ID 216 _Item.Name '_Contact_person.Phone_number' _Item.Description ; A business telephone number for the contact person. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'phone' save_ save__Contact_person.FAX_number _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.FAX_number' _Item.ID 217 _Item.Name '_Contact_person.FAX_number' _Item.Description ; Business FAX number for the contact person. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'fax' save_ save__Contact_person.Role _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Role' _Item.ID 218 _Item.Name '_Contact_person.Role' _Item.Description ; The role of this author in the project depositing this data. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Contact_person.Role' 'principal investigator' ? 218 12 NMR-STAR '_Contact_person.Role' 'responsible scientist' ? 218 12 NMR-STAR '_Contact_person.Role' investigator ? 218 12 NMR-STAR stop_ save_ save__Contact_person.Organization_type _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Organization_type' _Item.ID 219 _Item.Name '_Contact_person.Organization_type' _Item.Description ; The organization type to which this author is affiliated. ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Contact_person.Organization_type' academic ? 219 12 NMR-STAR '_Contact_person.Organization_type' commercial ? 219 12 NMR-STAR '_Contact_person.Organization_type' government ? 219 12 NMR-STAR '_Contact_person.Organization_type' other ? 219 12 NMR-STAR stop_ save_ save__Contact_person.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Sf_ID' _Item.ID 220 _Item.Name '_Contact_person.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Contact_person.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Contact_person.Entry_ID' _Item.ID 221 _Item.Name '_Contact_person.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 12 _Item.Category_label $Contact_person _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Entry_author _Category.Sf_category category_description _Category.Sf_framecode Entry_author _Category.ID 13 _Category.Name 'Entry_author' _category.Description ; Items in the entry_author category define the names of the authors of an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 222 $_Entry_author.Ordinal '_Entry_author.Ordinal' 230 $_Entry_author.Entry_ID '_Entry_author.Entry_ID' 13 NMR-STAR stop_ save_ save__Entry_author.Ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Ordinal' _Item.ID 222 _Item.Name '_Entry_author.Ordinal' _Item.Description ; Integer value defining the position of the author's name in the list of authors. ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_author.Given_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Given_name' _Item.ID 223 _Item.Name '_Entry_author.Given_name' _Item.Description ; The name given the author at birth or currently used by the author for publication purposes. Can be an initial if the author uses a second name as a full name when publishing. ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry_author.Family_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Family_name' _Item.ID 224 _Item.Name '_Entry_author.Family_name' _Item.Description ; The family name of the author. ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entry_author.First_initial _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.First_initial' _Item.ID 225 _Item.Name '_Entry_author.First_initial' _Item.Description ; Initial of the author's first name. ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry_author.Middle_initials _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Middle_initials' _Item.ID 226 _Item.Name '_Entry_author.Middle_initials' _Item.Description ; The initials for the author's middle names. A name can be used here if the author uses a middle name for publications. ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entry_author.Family_title _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Family_title' _Item.ID 227 _Item.Name '_Entry_author.Family_title' _Item.Description ; A common family title (not a professional title). ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry_author.Family_title' Sr. Senior 227 13 NMR-STAR '_Entry_author.Family_title' Jr. Junior 227 13 NMR-STAR '_Entry_author.Family_title' I First 227 13 NMR-STAR '_Entry_author.Family_title' II Second 227 13 NMR-STAR '_Entry_author.Family_title' III Third 227 13 NMR-STAR '_Entry_author.Family_title' IV Fourth 227 13 NMR-STAR '_Entry_author.Family_title' V Fifth 227 13 NMR-STAR stop_ save_ save__Entry_author.ORCID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.ORCID' _Item.ID 228 _Item.Name '_Entry_author.ORCID' _Item.Description ; A unique identifier for individuals involved in scientific research and publication. ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry_author.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Sf_ID' _Item.ID 229 _Item.Name '_Entry_author.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_author.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_author.Entry_ID' _Item.ID 230 _Item.Name '_Entry_author.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 13 _Item.Category_label $Entry_author _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_SG_project _Category.Sf_category category_description _Category.Sf_framecode SG_project _Category.ID 14 _Category.Name 'SG_project' _category.Description ; Items in the SG_project category describe the structural genomics project that is the source of the data in an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 231 $_SG_project.SG_project_ID '_SG_project.SG_project_ID' 236 $_SG_project.Entry_ID '_SG_project.Entry_ID' 14 NMR-STAR stop_ save_ save__SG_project.SG_project_ID _Item.Sf_category item_description _Item.Sf_framecode '_SG_project.SG_project_ID' _Item.ID 231 _Item.Name '_SG_project.SG_project_ID' _Item.Description ; A unique integer identifier for this center ; _Item.Category_ID 14 _Item.Category_label $SG_project _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SG_project.Project_name _Item.Sf_category item_description _Item.Sf_framecode '_SG_project.Project_name' _Item.ID 232 _Item.Name '_SG_project.Project_name' _Item.Description ; The value identifies the Structural Genomics project of the granting agency. ; _Item.Category_ID 14 _Item.Category_label $SG_project _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_SG_project.Project_name' 'not applicable' ? 232 14 NMR-STAR '_SG_project.Project_name' 'Enzyme Function Initiative' ? 232 14 NMR-STAR '_SG_project.Project_name' PSI:Biology ? 232 14 NMR-STAR '_SG_project.Project_name' 'PSI, Protein Structure Initiative' ? 232 14 NMR-STAR '_SG_project.Project_name' 'NPPSFA, National Project on Protein Structural and Functional Analyses' ? 232 14 NMR-STAR '_SG_project.Project_name' SPINE ? 232 14 NMR-STAR '_SG_project.Project_name' SPINE2 ? 232 14 NMR-STAR '_SG_project.Project_name' 'Protein 3000' ? 232 14 NMR-STAR '_SG_project.Project_name' SSGCID ? 232 14 NMR-STAR '_SG_project.Project_name' NIAID ? 232 14 NMR-STAR '_SG_project.Project_name' SMolBNet ? 232 14 NMR-STAR '_SG_project.Project_name' Other ? 232 14 NMR-STAR stop_ save_ save__SG_project.Full_name_of_center _Item.Sf_category item_description _Item.Sf_framecode '_SG_project.Full_name_of_center' _Item.ID 233 _Item.Name '_SG_project.Full_name_of_center' _Item.Description ; The value identifies the full name of center. ; _Item.Category_ID 14 _Item.Category_label $SG_project _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_SG_project.Full_name_of_center' 'not applicable' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Accelerated Technologies Center for Gene to 3D Structure' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Atoms-to-Animals: The Immune Function Network' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Architecture and Function of Biological Macromolecules Structure Genomics' ASG 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Bacterial targets at IGS-CNRS, France' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Berkeley Structural Genomics Center' BSGC 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for Eukaryotic Structural Genomics' CESG 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for High-Throughput Structural Biology' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for Membrane Proteins of Infectious Diseases' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for Structural Genomics of Infectious Diseases' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for Structures of Membrane Proteins' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for the X-ray Structure Determination of Human Transporters' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Chaperone-Enabled Studies of Epigenetic Regulation Enzymes' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Enzyme Discovery for Natural Product Biosynthesis' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'GPCR Network' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Integrated Center for Structure and Function Innovation' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Israel Structural Proteomics Center' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Joint Center for Structural Genomics' JCSG 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Marseilles Structural Genomics Program @ AFMB' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Medical Structural Genomics of Pathogenic Protozoa' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Membrane Protein Structural Biology Consortium' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Membrane Protein Structures by Solution NMR' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Midwest Center for Structural Genomics' MCSG 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Mitochondrial Protein Partnership' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Montreal-Kingston Bacterial Structural Genomics Initiative' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Mycobacterium Tuberculosis Structural Proteomics Project' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'New York Consortium on Membrane Protein Structure' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'New York SGX Research Center for Structural Genomics' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'New York Structural Genomics Research Consortium' NYSGRC 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'New York Structural GenomiX Research Consortium' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Northeast Structural Genomics Consortium' NESGC 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'North West Structural Genomics Centre' NWSGC 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Nucleocytoplasmic Transport: a Target for Cellular Control' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Ontario Centre for Structural Proteomics' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Oxford Protein Production Facility' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Paris-Sud Yeast Structural Genomics' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Partnership for Stem Cell Biology' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Partnership for T-Cell Biology' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Program for the Characterization of Secreted Effector Proteins' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Protein Structure Factory' PSF 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'RIKEN Structural Genomics/Proteomics Initiative' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Scottish Structural Proteomics Facility' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Seattle Structural Genomics Center for Infectious Disease' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Southeast Collaboratory for Structural Genomics' SECSG 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structural Genomics Consortium' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structural Genomics Consortium for Research on Gene Expression' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structural Genomics of Pathogenic Protozoa Consortium' SGPPC 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structural Proteomics in Europe' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structural Proteomics in Europe 2' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structure 2 Function Project' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structure Dynamics and Activation Mechanisms of Chemokine Receptors' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structure-Function Studies of Tight Junction Membrane Proteins' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'TB Structural Genomics Consortium' TBSGC 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Transcontinental EM Initiative for Membrane Protein Structure' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Transmembrane Protein Center' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Yeast Structural Genomics' YSG 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Bijvoet Centre Utrecht' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Brazilian Sincrotron Light Laboratory' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Center for Experimental Therapeutics and Pharmacoinformatics' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' FAPESP ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Functional and Structural Proteomics of the SARS Coronavirus' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Hefei National Laboratory for Physical Sciences at Microscale' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Institute of Genetics and Molecular and Cellular Biology-CNRS France' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Institute of Zoology Beijing' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'IRB Barcelona' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Magnetic Resonance Center' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Membrane Protein Structures by NMR' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Nanoworld Institute' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Protein Research Group RIKEN Genomic Sciences Center' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'Structural Molecular Biology Network' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'University of Calcutta CU' ? 233 14 NMR-STAR '_SG_project.Full_name_of_center' 'University of Georgia' ? 233 14 NMR-STAR stop_ save_ save__SG_project.Initial_of_center _Item.Sf_category item_description _Item.Sf_framecode '_SG_project.Initial_of_center' _Item.ID 234 _Item.Name '_SG_project.Initial_of_center' _Item.Description ; The value identifies the center using initials or other abbreviation. ; _Item.Category_ID 14 _Item.Category_label $SG_project _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_SG_project.Initial_of_center' BIGS ? 234 14 NMR-STAR '_SG_project.Initial_of_center' BSGC ? 234 14 NMR-STAR '_SG_project.Initial_of_center' CESG ? 234 14 NMR-STAR '_SG_project.Initial_of_center' ISPC ? 234 14 NMR-STAR '_SG_project.Initial_of_center' JCSG ? 234 14 NMR-STAR '_SG_project.Initial_of_center' MSGP ? 234 14 NMR-STAR '_SG_project.Initial_of_center' MCSG ? 234 14 NMR-STAR '_SG_project.Initial_of_center' BSGI ? 234 14 NMR-STAR '_SG_project.Initial_of_center' XMTB ? 234 14 NMR-STAR '_SG_project.Initial_of_center' NYSGRC ? 234 14 NMR-STAR '_SG_project.Initial_of_center' NESG ? 234 14 NMR-STAR '_SG_project.Initial_of_center' OPPF ? 234 14 NMR-STAR '_SG_project.Initial_of_center' YSG ? 234 14 NMR-STAR '_SG_project.Initial_of_center' PSF ? 234 14 NMR-STAR '_SG_project.Initial_of_center' RSGI ? 234 14 NMR-STAR '_SG_project.Initial_of_center' SECSG ? 234 14 NMR-STAR '_SG_project.Initial_of_center' SGC ? 234 14 NMR-STAR '_SG_project.Initial_of_center' SGPP ? 234 14 NMR-STAR '_SG_project.Initial_of_center' SPINE ? 234 14 NMR-STAR '_SG_project.Initial_of_center' S2F ? 234 14 NMR-STAR '_SG_project.Initial_of_center' TBSGC ? 234 14 NMR-STAR '_SG_project.Initial_of_center' 'RIKEN GSC' ? 234 14 NMR-STAR '_SG_project.Initial_of_center' CU ? 234 14 NMR-STAR stop_ save_ save__SG_project.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_SG_project.Sf_ID' _Item.ID 235 _Item.Name '_SG_project.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 14 _Item.Category_label $SG_project _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SG_project.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_SG_project.Entry_ID' _Item.ID 236 _Item.Name '_SG_project.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 14 _Item.Category_label $SG_project _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Entry_src _Category.Sf_category category_description _Category.Sf_framecode Entry_src _Category.ID 15 _Category.Name 'Entry_src' _category.Description ; Items in the entry_src category describe the organization that is the source of the data in an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 237 $_Entry_src.ID '_Entry_src.ID' 242 $_Entry_src.Entry_ID '_Entry_src.Entry_ID' 15 NMR-STAR stop_ save_ save__Entry_src.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_src.ID' _Item.ID 237 _Item.Name '_Entry_src.ID' _Item.Description ; A unique integer identifier for this organization or project within the entry. ; _Item.Category_ID 15 _Item.Category_label $Entry_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_src.Project_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry_src.Project_name' _Item.ID 238 _Item.Name '_Entry_src.Project_name' _Item.Description ; Name of the project under which the data reported in an entry was sponsored or funded. This might be the title for a grant funding the research or the name of the overall project defined by a granting agency. ; _Item.Category_ID 15 _Item.Category_label $Entry_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry_src.Organization_full_name _Item.Sf_category item_description _Item.Sf_framecode '_Entry_src.Organization_full_name' _Item.ID 239 _Item.Name '_Entry_src.Organization_full_name' _Item.Description ; Name of the organization (company, research laboratory, etc.) that carried out the research reported in the entry. ; _Item.Category_ID 15 _Item.Category_label $Entry_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entry_src.Organization_full_name' 'Accelerated Technologies Center for Gene to 3D Structure' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Architecture and Function of Biological Macromolecules Structure Genomics' ASG 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Atoms-to-Animals: The Immune Function Network' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Bacterial targets at IGS-CNRS, France' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Berkeley Structural Genomics Center' BSGC 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Center for Eukaryotic Structural Genomics' CESG 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Center for High-Throughput Structural Biology' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Center for Membrane Proteins of Infectious Diseases' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Center for Structural Genomics of Infectious Diseases' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Center for Structures of Membrane Proteins' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Center for the X-ray Structure Determination of Human Transporters' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Chaperone-Enabled Studies of Epigenetic Regulation Enzymes' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Enzyme Discovery for Natural Product Biosynthesis' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'GPCR Network' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Integrated Center for Structure and Function Innovation' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Israel Structural Proteomics Center' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Joint Center for Structural Genomics' JCSG 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Marseilles Structural Genomics Program @ AFMB' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Medical Structural Genomics of Pathogenic Protozoa' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Membrane Protein Structural Biology Consortium' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Membrane Protein Structures by Solution NMR' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Midwest Center for Structural Genomics' MCSG 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Mitochondrial Protein Partnership' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Montreal-Kingston Bacterial Structural Genomics Initiative' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Mycobacterium Tuberculosis Structural Proteomics Project' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'New York Consortium on Membrane Protein Structure' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'New York SGX Research Center for Structural Genomics' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'New York Structural Genomics Research Consortium' NYSGRC 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'New York Structural GenomiX Research Consortium' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Northeast Structural Genomics Consortium' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'North West Structural Genomics Centre' NWSGC 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Nucleocytoplasmic Transport: a Target for Cellular Control' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Ontario Centre for Structural Proteomics' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Oxford Protein Production Facility' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Paris-Sud Yeast Structural Genomics' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Partnership for Stem Cell Biology' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Partnership for T-Cell Biology' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Program for the Characterization of Secreted Effector Proteins' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Protein Structure Factory' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'RIKEN Structural Genomics/Proteomics Initiative' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Scottish Structural Proteomics Facility' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Seattle Structural Genomics Center for Infectious Disease' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Southeast Collaboratory for Structural Genomics' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structural Genomics Consortium' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structural Genomics Consortium for Research on Gene Expression' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structural Genomics of Pathogenic Protozoa Consortium' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structural Proteomics in Europe' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structural Proteomics in Europe 2' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structure 2 Function Project' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structure, Dynamics and Activation Mechanisms of Chemokine Receptors' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structure-Function Studies of Tight Junction Membrane Proteins' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'TB Structural Genomics Consortium' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Transcontinental EM Initiative for Membrane Protein Structure' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Transmembrane Protein Center' ? 239 15 NMR-STAR '_Entry_src.Organization_full_name' 'Yeast Structural Genomics' YSG 239 15 NMR-STAR stop_ save_ save__Entry_src.Organization_initials _Item.Sf_category item_description _Item.Sf_framecode '_Entry_src.Organization_initials' _Item.ID 240 _Item.Name '_Entry_src.Organization_initials' _Item.Description ; Laboratory title or name or acronym for the organization where the research was conducted. More than one organization can be provided. ; _Item.Category_ID 15 _Item.Category_label $Entry_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entry_src.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_src.Sf_ID' _Item.ID 241 _Item.Name '_Entry_src.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 15 _Item.Category_label $Entry_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entry_src.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entry_src.Entry_ID' _Item.ID 242 _Item.Name '_Entry_src.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 15 _Item.Category_label $Entry_src _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Struct_keywords _Category.Sf_category category_description _Category.Sf_framecode Struct_keywords _Category.ID 16 _Category.Name 'Struct_keywords' _category.Description ; Items in the struct_keywords category define keywords that describe the structure of the biomolecular system reported. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 243 $_Struct_keywords.Keywords '_Struct_keywords.Keywords' 246 $_Struct_keywords.Entry_ID '_Struct_keywords.Entry_ID' 16 NMR-STAR stop_ save_ save__Struct_keywords.Keywords _Item.Sf_category item_description _Item.Sf_framecode '_Struct_keywords.Keywords' _Item.ID 243 _Item.Name '_Struct_keywords.Keywords' _Item.Description ; Keywords describing the structure ; _Item.Category_ID 16 _Item.Category_label $Struct_keywords _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Struct_keywords.Text _Item.Sf_category item_description _Item.Sf_framecode '_Struct_keywords.Text' _Item.ID 244 _Item.Name '_Struct_keywords.Text' _Item.Description ; Keywords describing this structure. ; _Item.Category_ID 16 _Item.Category_label $Struct_keywords _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Struct_keywords.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_keywords.Sf_ID' _Item.ID 245 _Item.Name '_Struct_keywords.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 16 _Item.Category_label $Struct_keywords _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_keywords.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_keywords.Entry_ID' _Item.ID 246 _Item.Name '_Struct_keywords.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 16 _Item.Category_label $Struct_keywords _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Data_set _Category.Sf_category category_description _Category.Sf_framecode Data_set _Category.ID 17 _Category.Name 'Data_set' _category.Description ; Items in the data_set category define the kinds of data and the number of data sets for each kind of data in the entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 247 $_Data_set.Type '_Data_set.Type' 250 $_Data_set.Entry_ID '_Data_set.Entry_ID' 17 NMR-STAR stop_ save_ save__Data_set.Type _Item.Sf_category item_description _Item.Sf_framecode '_Data_set.Type' _Item.ID 247 _Item.Name '_Data_set.Type' _Item.Description ; The save frame category type that contain quantitative data of the kind that is summarized in this table. The enumerated list for this tag is a subset of the full list of save frame categories available in constructing an NMR-STAR file. ; _Item.Category_ID 17 _Item.Category_label $Data_set _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Data_set.Type' assigned_chemical_shifts ? 247 17 NMR-STAR '_Data_set.Type' theoretical_chem_shifts ? 247 17 NMR-STAR '_Data_set.Type' chem_shift_perturbation ? 247 17 NMR-STAR '_Data_set.Type' chemical_rates ? 247 17 NMR-STAR '_Data_set.Type' coupling_constants ? 247 17 NMR-STAR '_Data_set.Type' theoretical_coupling_constants ? 247 17 NMR-STAR '_Data_set.Type' spectral_peak_list ? 247 17 NMR-STAR '_Data_set.Type' other_data_list ? 247 17 NMR-STAR '_Data_set.Type' RDCs ? 247 17 NMR-STAR '_Data_set.Type' order_parameters ? 247 17 NMR-STAR '_Data_set.Type' dipolar_couplings ? 247 17 NMR-STAR '_Data_set.Type' spectral_density_values ? 247 17 NMR-STAR '_Data_set.Type' H_exch_rates ? 247 17 NMR-STAR '_Data_set.Type' H_exch_protection_factors ? 247 17 NMR-STAR '_Data_set.Type' pKa_value_data_set ? 247 17 NMR-STAR '_Data_set.Type' pH_NMR_param_list ? 247 17 NMR-STAR '_Data_set.Type' binding_constants ? 247 17 NMR-STAR '_Data_set.Type' D_H_fractionation_factors ? 247 17 NMR-STAR '_Data_set.Type' molecular_axis_determinations ? 247 17 NMR-STAR '_Data_set.Type' deduced_secd_struct_features ? 247 17 NMR-STAR '_Data_set.Type' deduced_hydrogen_bonds ? 247 17 NMR-STAR '_Data_set.Type' representative_conformer ? 247 17 NMR-STAR '_Data_set.Type' conformer_family_coord_set ? 247 17 NMR-STAR '_Data_set.Type' general_relaxation ? 247 17 NMR-STAR '_Data_set.Type' heteronucl_T1_relaxation ? 247 17 NMR-STAR '_Data_set.Type' theoretical_heteronucl_T1_relaxation ? 247 17 NMR-STAR '_Data_set.Type' heteronucl_T1rho_relaxation ? 247 17 NMR-STAR '_Data_set.Type' heteronucl_T2_relaxation ? 247 17 NMR-STAR '_Data_set.Type' theoretical_heteronucl_T2_relaxation ? 247 17 NMR-STAR '_Data_set.Type' heteronucl_NOEs ? 247 17 NMR-STAR '_Data_set.Type' theoretical_heteronucl_NOEs ? 247 17 NMR-STAR '_Data_set.Type' homonucl_NOEs ? 247 17 NMR-STAR '_Data_set.Type' dipole_dipole_relaxation ? 247 17 NMR-STAR '_Data_set.Type' dipole_dipole_cross_correlations ? 247 17 NMR-STAR '_Data_set.Type' theoretical_dipole_dipole_cross_correlations ? 247 17 NMR-STAR '_Data_set.Type' CSA_CSA_cross_correlation_relaxation ? 247 17 NMR-STAR '_Data_set.Type' dipole_CSA_cross_correlation_relaxation ? 247 17 NMR-STAR stop_ save_ save__Data_set.Count _Item.Sf_category item_description _Item.Sf_framecode '_Data_set.Count' _Item.ID 248 _Item.Name '_Data_set.Count' _Item.Description ; The integer number of save frames in the entry that are of the type given by the value to the tag '_save frame_category_type' in this loop. ; _Item.Category_ID 17 _Item.Category_label $Data_set _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Data_set.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Data_set.Sf_ID' _Item.ID 249 _Item.Name '_Data_set.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 17 _Item.Category_label $Data_set _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Data_set.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Data_set.Entry_ID' _Item.ID 250 _Item.Name '_Data_set.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 17 _Item.Category_label $Data_set _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Datum _Category.Sf_category category_description _Category.Sf_framecode Datum _Category.ID 18 _Category.Name 'Datum' _category.Description ; Items in the datum category define the types of datum in the entry and the quantity of each type. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 251 $_Datum.Type '_Datum.Type' 254 $_Datum.Entry_ID '_Datum.Entry_ID' 18 NMR-STAR stop_ save_ save__Datum.Type _Item.Sf_category item_description _Item.Sf_framecode '_Datum.Type' _Item.ID 251 _Item.Name '_Datum.Type' _Item.Description ; A type of quantitative data found in the entry. ; _Item.Category_ID 18 _Item.Category_label $Datum _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Datum.Type' '1H chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '2H chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '3H chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '13C chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '15N chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '31P chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '111Cd chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '113Cd chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical 1H chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical 13C chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical 15N chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' 'chemical rates' ? 251 18 NMR-STAR '_Datum.Type' 'coupling constants' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical coupling constants' ? 251 18 NMR-STAR '_Datum.Type' 'chemical shift isotope effects' ? 251 18 NMR-STAR '_Datum.Type' 'chemical shift perturbation values' ? 251 18 NMR-STAR '_Datum.Type' 'T1 relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical T1 relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'T1rho relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'T2 relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical T2 relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'dipole-dipole relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'dipole-dipole cross correlation relaxation values' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical dipole-dipole cross-correlation values' ? 251 18 NMR-STAR '_Datum.Type' 'chemical shift anisotropy values' ? 251 18 NMR-STAR '_Datum.Type' 'chemical shift anisotropy tensor values' ? 251 18 NMR-STAR '_Datum.Type' 'quadrupolar couplings' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' 'chemical shift tensors' ? 251 18 NMR-STAR '_Datum.Type' 'residual dipolar couplings' ? 251 18 NMR-STAR '_Datum.Type' 'dipolar coupling values' ? 251 18 NMR-STAR '_Datum.Type' 'dipolar coupling tensor values' ? 251 18 NMR-STAR '_Datum.Type' 'heteronuclear NOE values' ? 251 18 NMR-STAR '_Datum.Type' 'theoretical heteronuclear NOE values' ? 251 18 NMR-STAR '_Datum.Type' 'homonuclear NOE values' ? 251 18 NMR-STAR '_Datum.Type' 'order parameters' ? 251 18 NMR-STAR '_Datum.Type' 'spectral density values' ? 251 18 NMR-STAR '_Datum.Type' 'H exchange rates' ? 251 18 NMR-STAR '_Datum.Type' 'H exchange protection factors' ? 251 18 NMR-STAR '_Datum.Type' 'pKa values' ? 251 18 NMR-STAR '_Datum.Type' 'pH NMR parameter values' ? 251 18 NMR-STAR '_Datum.Type' 'binding constants' ? 251 18 NMR-STAR '_Datum.Type' 'D/H fractionation factors' ? 251 18 NMR-STAR '_Datum.Type' 'bond orientation values' ? 251 18 NMR-STAR '_Datum.Type' 'deduced secondary structure values' ? 251 18 NMR-STAR '_Datum.Type' 'deduced hydrogen bonds' ? 251 18 NMR-STAR '_Datum.Type' 'distance constraints' ? 251 18 NMR-STAR '_Datum.Type' 'ambiguous distance constraints' ? 251 18 NMR-STAR '_Datum.Type' 'hydrogen bond distance constraints' ? 251 18 NMR-STAR '_Datum.Type' 'torsion angle constraints' ? 251 18 NMR-STAR '_Datum.Type' 'chemical shift constraints' ? 251 18 NMR-STAR '_Datum.Type' 'symmetry constraints' ? 251 18 NMR-STAR '_Datum.Type' '19F chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '6Li chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '10B chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '11B chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '17O chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '23Na chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '29Si chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '35Cl chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '129Xe chemical shifts' ? 251 18 NMR-STAR '_Datum.Type' '195Pt chemical shifts' ? 251 18 NMR-STAR stop_ save_ save__Datum.Count _Item.Sf_category item_description _Item.Sf_framecode '_Datum.Count' _Item.ID 252 _Item.Name '_Datum.Count' _Item.Description ; An integer representing the total number of values of the type defined by the value to the tag '_Data_type' found in all save frames in the current entry. ; _Item.Category_ID 18 _Item.Category_label $Datum _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Datum.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Datum.Sf_ID' _Item.ID 253 _Item.Name '_Datum.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 18 _Item.Category_label $Datum _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Datum.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Datum.Entry_ID' _Item.ID 254 _Item.Name '_Datum.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 18 _Item.Category_label $Datum _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Release _Category.Sf_category category_description _Category.Sf_framecode Release _Category.ID 19 _Category.Name 'Release' _category.Description ; Items in the release category provide the release history for an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 255 $_Release.Release_number '_Release.Release_number' 264 $_Release.Entry_ID '_Release.Entry_ID' 19 NMR-STAR stop_ save_ save__Release.Release_number _Item.Sf_category item_description _Item.Sf_framecode '_Release.Release_number' _Item.ID 255 _Item.Name '_Release.Release_number' _Item.Description ; Unique code assigned to each release of an entry ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Release.Format_type _Item.Sf_category item_description _Item.Sf_framecode '_Release.Format_type' _Item.ID 256 _Item.Name '_Release.Format_type' _Item.Description ; The format of the file that the entry is in when released. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Release.Format_type' NMR-STAR ? 256 19 NMR-STAR '_Release.Format_type' XML ? 256 19 NMR-STAR stop_ save_ save__Release.Format_version _Item.Sf_category item_description _Item.Sf_framecode '_Release.Format_version' _Item.ID 257 _Item.Name '_Release.Format_version' _Item.Description ; The version assigned to the format of the file that the entry is in at the tiem of release. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Release.Date _Item.Sf_category item_description _Item.Sf_framecode '_Release.Date' _Item.ID 258 _Item.Name '_Release.Date' _Item.Description ; Date entry was released. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code yes _Item.Type_code 'yyyy-mm-dd' save_ save__Release.Submission_date _Item.Sf_category item_description _Item.Sf_framecode '_Release.Submission_date' _Item.ID 259 _Item.Name '_Release.Submission_date' _Item.Description ; Date the entry or an update to the entry was submitted to BMRB. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Release.Type _Item.Sf_category item_description _Item.Sf_framecode '_Release.Type' _Item.ID 260 _Item.Name '_Release.Type' _Item.Description ; Value describing with a key word the type of entry that was released. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Release.Type' original 'First release of the data to the public.' 260 19 NMR-STAR '_Release.Type' na 'not available' 260 19 NMR-STAR '_Release.Type' update ? 260 19 NMR-STAR '_Release.Type' revision 'not used now as it is redundant with update aa all revisions are updates' 260 19 NMR-STAR '_Release.Type' reformat 'reformatted for new format specification' 260 19 NMR-STAR stop_ save_ save__Release.Author _Item.Sf_category item_description _Item.Sf_framecode '_Release.Author' _Item.ID 261 _Item.Name '_Release.Author' _Item.Description ; A keyword indicating the type of author of the release. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Release.Detail _Item.Sf_category item_description _Item.Sf_framecode '_Release.Detail' _Item.ID 262 _Item.Name '_Release.Detail' _Item.Description ; Text describing the changes made to the entry. ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Release.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Release.Sf_ID' _Item.ID 263 _Item.Name '_Release.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Release.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Release.Entry_ID' _Item.ID 264 _Item.Name '_Release.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 19 _Item.Category_label $Release _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_BMRbig_link _Category.Sf_category category_description _Category.Sf_framecode BMRbig_link _Category.ID 20 _Category.Name 'BMRbig_link' _category.Description ; Items in the BMRbig_link category define BMRbig uploads that contain data to be included in a BMRB entry or linked to a BMRB entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 265 $_BMRbig_link.BMRbig_ID '_BMRbig_link.BMRbig_ID' 267 $_BMRbig_link.Entry_ID '_BMRbig_link.Entry_ID' 20 NMR-STAR stop_ save_ save__BMRbig_link.BMRbig_ID _Item.Sf_category item_description _Item.Sf_framecode '_BMRbig_link.BMRbig_ID' _Item.ID 265 _Item.Name '_BMRbig_link.BMRbig_ID' _Item.Description ; The unique identifier for a BMRbig upload that contains data that is to be included in the BMRB entry or linked to the BMRB entry. ; _Item.Category_ID 20 _Item.Category_label $BMRbig_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__BMRbig_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_BMRbig_link.Sf_ID' _Item.ID 266 _Item.Name '_BMRbig_link.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 20 _Item.Category_label $BMRbig_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__BMRbig_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_BMRbig_link.Entry_ID' _Item.ID 267 _Item.Name '_BMRbig_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 20 _Item.Category_label $BMRbig_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Related_entries _Category.Sf_category category_description _Category.Sf_framecode Related_entries _Category.ID 21 _Category.Name 'Related_entries' _category.Description ; Items in the related_entries category provide a list of entries that are related to the present entry. The related entries may or may not be members of a study that includes the present entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 268 $_Related_entries.Database_name '_Related_entries.Database_name' 269 $_Related_entries.Database_accession_code '_Related_entries.Database_accession_code' 272 $_Related_entries.Entry_ID '_Related_entries.Entry_ID' 21 NMR-STAR stop_ save_ save__Related_entries.Database_name _Item.Sf_category item_description _Item.Sf_framecode '_Related_entries.Database_name' _Item.ID 268 _Item.Name '_Related_entries.Database_name' _Item.Description ; Name or acronym for a database that has an entry related to the current BMRB entry. ; _Item.Category_ID 21 _Item.Category_label $Related_entries _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Related_entries.Database_name' BMRB 'BioMagResBank' 268 21 NMR-STAR '_Related_entries.Database_name' BMRB(withdrawn) ? 268 21 NMR-STAR '_Related_entries.Database_name' PDB 'Protein Databank' 268 21 NMR-STAR '_Related_entries.Database_name' TargetDB 'Target registration database' 268 21 NMR-STAR '_Related_entries.Database_name' EMDB 'Electron Microscopy Volume Data Bank' 268 21 NMR-STAR '_Related_entries.Database_name' BMCD 'Biological Macromolecule Crystallization Database' 268 21 NMR-STAR '_Related_entries.Database_name' GB 'GenBank' 268 21 NMR-STAR '_Related_entries.Database_name' DBJ 'DNA Data Bank of Japan' 268 21 NMR-STAR '_Related_entries.Database_name' EMBL 'European Molecular Biology Laboratory' 268 21 NMR-STAR '_Related_entries.Database_name' NCBI ? 268 21 NMR-STAR '_Related_entries.Database_name' PIR 'Protein Information Resource' 268 21 NMR-STAR '_Related_entries.Database_name' REF 'NCBI Reference Sequence' 268 21 NMR-STAR '_Related_entries.Database_name' SGD 'Saccharomyces Genome Database' 268 21 NMR-STAR '_Related_entries.Database_name' SP 'UniProtKB/Swiss-Prot' 268 21 NMR-STAR stop_ save_ save__Related_entries.Database_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Related_entries.Database_accession_code' _Item.ID 269 _Item.Name '_Related_entries.Database_accession_code' _Item.Description ; Entry code for an existing entry from the database defined by the tag '_Related_entry.Database_name' that is related to the current BMRB entry. ; _Item.Category_ID 21 _Item.Category_label $Related_entries _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Related_entries.Relationship _Item.Sf_category item_description _Item.Sf_framecode '_Related_entries.Relationship' _Item.ID 270 _Item.Name '_Related_entries.Relationship' _Item.Description ; Text describing the relationship between the current BMRB entry and the entry with the corresponding BMRB accession number given as a value to the tag '_Related_BMRB_accession_number.' ; _Item.Category_ID 21 _Item.Category_label $Related_entries _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Related_entries.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Related_entries.Sf_ID' _Item.ID 271 _Item.Name '_Related_entries.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 21 _Item.Category_label $Related_entries _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Related_entries.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Related_entries.Entry_ID' _Item.ID 272 _Item.Name '_Related_entries.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 21 _Item.Category_label $Related_entries _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Matched_entries _Category.Sf_category category_description _Category.Sf_framecode Matched_entries _Category.ID 22 _Category.Name 'Matched_entries' _category.Description ; Items in the matched_entries category provide a list of entries from databases that are matched representing that the data in the entries came from the same experimental study and the same publication. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 273 $_Matched_entries.Database_name '_Matched_entries.Database_name' 274 $_Matched_entries.Database_accession_code '_Matched_entries.Database_accession_code' 276 $_Matched_entries.Entry_ID '_Matched_entries.Entry_ID' 22 NMR-STAR stop_ save_ save__Matched_entries.Database_name _Item.Sf_category item_description _Item.Sf_framecode '_Matched_entries.Database_name' _Item.ID 273 _Item.Name '_Matched_entries.Database_name' _Item.Description ; Name or acronym for a database that has an entry that is a direct match (usually a PDB entry) to the current BMRB entry. ; _Item.Category_ID 22 _Item.Category_label $Matched_entries _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Matched_entries.Database_name' PDB ? 273 22 NMR-STAR stop_ save_ save__Matched_entries.Database_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Matched_entries.Database_accession_code' _Item.ID 274 _Item.Name '_Matched_entries.Database_accession_code' _Item.Description ; Entry code for an existing entry from the database defined by the tag '_Matched_entries.Database_name' that is a direct match to the current BMRB entry. ; _Item.Category_ID 22 _Item.Category_label $Matched_entries _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Matched_entries.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Matched_entries.Sf_ID' _Item.ID 275 _Item.Name '_Matched_entries.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 22 _Item.Category_label $Matched_entries _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Matched_entries.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Matched_entries.Entry_ID' _Item.ID 276 _Item.Name '_Matched_entries.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 22 _Item.Category_label $Matched_entries _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Auxiliary_files _Category.Sf_category category_description _Category.Sf_framecode Auxiliary_files _Category.ID 23 _Category.Name 'Auxiliary_files' _category.Description ; Items in the auxiliary_files category provide information on a list of files available from BMRB that contain information directly related to the entry (e.g. validation reports, software scripts, data in the original format, and others). ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 277 $_Auxiliary_files.ID '_Auxiliary_files.ID' 285 $_Auxiliary_files.Entry_ID '_Auxiliary_files.Entry_ID' 23 NMR-STAR stop_ save_ save__Auxiliary_files.ID _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.ID' _Item.ID 277 _Item.Name '_Auxiliary_files.ID' _Item.Description ; The '_Auxiliary_files.ID' value uniquely identifies the row of information describing an auxilary file related to the entry. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auxiliary_files.Name _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.Name' _Item.ID 278 _Item.Name '_Auxiliary_files.Name' _Item.Description ; Name of the file. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auxiliary_files.Format _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.Format' _Item.ID 279 _Item.Name '_Auxiliary_files.Format' _Item.Description ; The file format for the defined auxiliary file. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Auxiliary_files.URI _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.URI' _Item.ID 280 _Item.Name '_Auxiliary_files.URI' _Item.Description ; A universal resource identifier value for the auxiliary file. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Auxiliary_files.DOI _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.DOI' _Item.ID 281 _Item.Name '_Auxiliary_files.DOI' _Item.Description ; A digital object identifier for the defined auxiliary file for the entry. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auxiliary_files.Path _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.Path' _Item.ID 282 _Item.Name '_Auxiliary_files.Path' _Item.Description ; The path and file name for the auxiliary file locate at BMRB. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auxiliary_files.Details _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.Details' _Item.ID 283 _Item.Name '_Auxiliary_files.Details' _Item.Description ; Text providing additional information about the auxiliary file. ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Auxiliary_files.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.Sf_ID' _Item.ID 284 _Item.Name '_Auxiliary_files.Sf_ID' _Item.Description ; Pointer to '_Entry.Sf_ID' ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auxiliary_files.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auxiliary_files.Entry_ID' _Item.ID 285 _Item.Name '_Auxiliary_files.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 23 _Item.Category_label $Auxiliary_files _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Audit _Category.Sf_category category_description _Category.Sf_framecode Audit _Category.ID 24 _Category.Name 'Audit' _category.Description ; Items in the audit category capture information about the internal processing and handling of an entry during annotation and validation. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 4 _Category.Category_group_name entry_information _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 286 $_Audit.Revision_ID '_Audit.Revision_ID' 291 $_Audit.Entry_ID '_Audit.Entry_ID' 24 NMR-STAR stop_ save_ save__Audit.Revision_ID _Item.Sf_category item_description _Item.Sf_framecode '_Audit.Revision_ID' _Item.ID 286 _Item.Name '_Audit.Revision_ID' _Item.Description ; The value of _audit.revision_ID must uniquely identify a record in the AUDIT list. ; _Item.Category_ID 24 _Item.Category_label $Audit _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Audit.Creation_date _Item.Sf_category item_description _Item.Sf_framecode '_Audit.Creation_date' _Item.ID 287 _Item.Name '_Audit.Creation_date' _Item.Description ; A date that the data block was created. The date format is yyyy-mm-dd. ; _Item.Category_ID 24 _Item.Category_label $Audit _Item.Mandatory_code yes _Item.Type_code 'yyyy-mm-dd' save_ save__Audit.Update_record _Item.Sf_category item_description _Item.Sf_framecode '_Audit.Update_record' _Item.ID 288 _Item.Name '_Audit.Update_record' _Item.Description ; A record of any changes to the data block. The update format is a date (yyyy-mm-dd) followed by a description of the changes. 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NMR Assignments' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biophys. J.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Biopolymers ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Cell ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'EMBO J.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Eur. J. Biochem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'FEBS Lett.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Inorg. Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Int. J. Pept. Protein Res.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Am. Chem. Soc.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Biochem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Biol. Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Biol. Inorg. Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Biomol. NMR' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Biomol. Struct. Dyn.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Inorg. Biochem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Magn. Reson.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Mol. Biol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Pept. Res.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'J. Protein Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Mol. Cell' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Nature ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Nat. Struct. Biol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Nucleic Acids Res.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Proc. Natl. Acad. Sci. U.S.A.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Protein Eng.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Proteins ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Protein Sci.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Proteins: Struct. Funct. 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Online' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Hydrochim. Hydrobiol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Mater.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Pharm. (Zagreb Croatia)' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Pharmacol. Sin.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Phys. Pol. A' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Phys. Pol. B' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Acta Physiol. Scand.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Adsorption ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Adsorpt. Sci. Technol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Adv. Drug Delivery Rev.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Adv. Funct. Mater.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Adv. Mater. (Weinheim Ger.)' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Adv. Synth. Catal.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Adv. At. Mol. Opt. 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Technol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Atherosclerosis (Shannon Irel.)' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'ATLA Altern. Lab. Anim.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Atmos. Environ.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'At. Energy (N. Y. NY U. S.)' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'At. Spectrosc.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Aust. J. Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Auton. Autacoid Pharmacol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Azerb. Khim. Zh.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biocatal. Biotransform.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biochem. Genet.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biochem. Pharmacol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biochem. Soc. Trans.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biochem. Syst. Ecol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biochemistry (Moscow Russ. Fed.)' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biochem. Cell Biol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Biochimie ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Bioconjugate Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Bioelectrochemistry ? 307 25 NMR-STAR '_Citation.Journal_abbrev' BioFactors ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Biofizika ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biog. Amines' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Bioinformatics ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biol. Pharm. Bull.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biol. Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biol. Trace Elem. Res.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biol. Membr.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Biol. 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Technol.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Wuji Huaxue Xuebao' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Wuli Huaxue Xuebao' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Wuli Xuebao' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'X-Ray Spectrom.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Xenobiotica ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Yakhak Hoechi' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Yakugaku Zasshi' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' Yeast ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Yingyong Huaxue' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Yosetsu Gakkai Ronbunshu' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Youji Huaxue' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Yuki Gosei Kagaku Kyokaishi' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Anorg. Allg. Chem.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Kristallogr.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Kristallogr. - New Cryst. Struct.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Metallkd.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Naturforsch. A: Phys. Sci.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Naturforsch. B: Chem. Sci.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Naturforsch. C: J. Biosci.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Z. Phys. Chem. (Muenchen Ger.)' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Zhongguo Shengwu Huaxue Yu Fenzi Shengwu Xuebao' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Zh. Fiz. Khim.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Zh. Nauchn. Prikl. Fotogr.' ? 307 25 NMR-STAR '_Citation.Journal_abbrev' 'Zh. Neorg. Khim.' ? 307 25 NMR-STAR stop_ save_ save__Citation.Journal_name_full _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Journal_name_full' _Item.ID 308 _Item.Name '_Citation.Journal_name_full' _Item.Description ; Full name used by the journal. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Journal_volume _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Journal_volume' _Item.ID 309 _Item.Name '_Citation.Journal_volume' _Item.Description ; Volume designation used by the journal. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation.Journal_issue _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Journal_issue' _Item.ID 310 _Item.Name '_Citation.Journal_issue' _Item.Description ; Issue designation used by the journal. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Journal_ASTM _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Journal_ASTM' _Item.ID 311 _Item.Name '_Citation.Journal_ASTM' _Item.Description ; ASTM identification code for the journal. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Journal_ISSN _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Journal_ISSN' _Item.ID 312 _Item.Name '_Citation.Journal_ISSN' _Item.Description ; An International Standard Serial Number (ISSN) is a unique eight-digit number used to identify a print or electronic periodical publication. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Journal_CSD _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Journal_CSD' _Item.ID 313 _Item.Name '_Citation.Journal_CSD' _Item.Description ; CSD identification code for the journal. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Book_title _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_title' _Item.ID 314 _Item.Name '_Citation.Book_title' _Item.Description ; The name of the book where the citation is located. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Citation.Book_chapter_title _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_chapter_title' _Item.ID 315 _Item.Name '_Citation.Book_chapter_title' _Item.Description ; Title of the chapter from the book ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Citation.Book_volume _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_volume' _Item.ID 316 _Item.Name '_Citation.Book_volume' _Item.Description ; Volume designation for the book. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation.Book_series _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_series' _Item.ID 317 _Item.Name '_Citation.Book_series' _Item.Description ; Series designation for the book ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation.Book_publisher _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_publisher' _Item.ID 318 _Item.Name '_Citation.Book_publisher' _Item.Description ; Publisher of the book ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Book_publisher_city _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_publisher_city' _Item.ID 319 _Item.Name '_Citation.Book_publisher_city' _Item.Description ; City where the book publisher is located ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Book_ISBN _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Book_ISBN' _Item.ID 320 _Item.Name '_Citation.Book_ISBN' _Item.Description ; ISBN code assigned to the book. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Conference_title _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_title' _Item.ID 321 _Item.Name '_Citation.Conference_title' _Item.Description ; Title of the conference ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Conference_site _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_site' _Item.ID 322 _Item.Name '_Citation.Conference_site' _Item.Description ; Site of the conference, city, resort, etc. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Conference_state_province _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_state_province' _Item.ID 323 _Item.Name '_Citation.Conference_state_province' _Item.Description ; State, province, etc. where conference took place ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Conference_country _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_country' _Item.ID 324 _Item.Name '_Citation.Conference_country' _Item.Description ; Country where conference was located ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Conference_start_date _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_start_date' _Item.ID 325 _Item.Name '_Citation.Conference_start_date' _Item.Description ; Date conference began ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Citation.Conference_end_date _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_end_date' _Item.ID 326 _Item.Name '_Citation.Conference_end_date' _Item.Description ; Date conference ended ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Citation.Conference_abstract_number _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Conference_abstract_number' _Item.ID 327 _Item.Name '_Citation.Conference_abstract_number' _Item.Description ; Code assigned to the conference abstract ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Thesis_institution _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Thesis_institution' _Item.ID 328 _Item.Name '_Citation.Thesis_institution' _Item.Description ; Academic or research institution that granted the degree awarded for the thesis cited in the save frame. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Thesis_institution_city _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Thesis_institution_city' _Item.ID 329 _Item.Name '_Citation.Thesis_institution_city' _Item.Description ; City where the institution awarding the degree is located. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.Thesis_institution_country _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Thesis_institution_country' _Item.ID 330 _Item.Name '_Citation.Thesis_institution_country' _Item.Description ; Country where the institution awarding the degree is located. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation.WWW_URL _Item.Sf_category item_description _Item.Sf_framecode '_Citation.WWW_URL' _Item.ID 331 _Item.Name '_Citation.WWW_URL' _Item.Description ; A World Wide Web universal locator that identifies the location of the cited material on the WWW. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Citation.Page_first _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Page_first' _Item.ID 332 _Item.Name '_Citation.Page_first' _Item.Description ; First page of the published article ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation.Page_last _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Page_last' _Item.ID 333 _Item.Name '_Citation.Page_last' _Item.Description ; Last page of the published article ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation.Year _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Year' _Item.ID 334 _Item.Name '_Citation.Year' _Item.Description ; Calendar year when the article was published. ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation.Details _Item.Sf_category item_description _Item.Sf_framecode '_Citation.Details' _Item.ID 335 _Item.Name '_Citation.Details' _Item.Description ; Additional information relevant to the data in the current save frame or to a specific data item is entered as a value to this tag. The information entered must supplement information already present. Whenever possible data should associated with specif ; _Item.Category_ID 25 _Item.Category_label $Citation _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Citation_author _Category.Sf_category category_description _Category.Sf_framecode Citation_author _Category.ID 26 _Category.Name 'Citation_author' _category.Description ; Items in the citation_author category define the authors and the order of the names for a citation. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 5 _Category.Category_group_name citations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 336 $_Citation_author.Ordinal '_Citation_author.Ordinal' 344 $_Citation_author.Entry_ID '_Citation_author.Entry_ID' 345 $_Citation_author.Citation_ID '_Citation_author.Citation_ID' 26 NMR-STAR stop_ save_ save__Citation_author.Ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Ordinal' _Item.ID 336 _Item.Name '_Citation_author.Ordinal' _Item.Description ; Integer value defining the position of the author's name in the list of authors. ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Citation_author.Given_name _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Given_name' _Item.ID 337 _Item.Name '_Citation_author.Given_name' _Item.Description ; The name given the author at birth or currently used by the author for publication purposes. Can be an initial if the author uses a second name as a full name when publishing. ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation_author.Family_name _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Family_name' _Item.ID 338 _Item.Name '_Citation_author.Family_name' _Item.Description ; The family name of the author. ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Citation_author.First_initial _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.First_initial' _Item.ID 339 _Item.Name '_Citation_author.First_initial' _Item.Description ; Initial of the author's first name. ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation_author.Middle_initials _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Middle_initials' _Item.ID 340 _Item.Name '_Citation_author.Middle_initials' _Item.Description ; The initials for the author's middle names. A name can be used here, if the author uses a middle name for publications. ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Citation_author.Family_title _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Family_title' _Item.ID 341 _Item.Name '_Citation_author.Family_title' _Item.Description ; A common family title (not a professional title). ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Citation_author.Family_title' Sr. Senior 341 26 NMR-STAR '_Citation_author.Family_title' Jr. Junior 341 26 NMR-STAR '_Citation_author.Family_title' I First 341 26 NMR-STAR '_Citation_author.Family_title' II Second 341 26 NMR-STAR '_Citation_author.Family_title' III Third 341 26 NMR-STAR '_Citation_author.Family_title' IV Fourth 341 26 NMR-STAR '_Citation_author.Family_title' V Fifth 341 26 NMR-STAR stop_ save_ save__Citation_author.ORCID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.ORCID' _Item.ID 342 _Item.Name '_Citation_author.ORCID' _Item.Description ; Unique personal identifier for researchers(Open Researcher and Contributor ID) used to link a researcher to their publications and grants. ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation_author.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Sf_ID' _Item.ID 343 _Item.Name '_Citation_author.Sf_ID' _Item.Description ; Pointer to '_Citation.Sf_ID' ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Citation_author.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Entry_ID' _Item.ID 344 _Item.Name '_Citation_author.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Citation_author.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_author.Citation_ID' _Item.ID 345 _Item.Name '_Citation_author.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 26 _Item.Category_label $Citation_author _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Citation_keyword _Category.Sf_category category_description _Category.Sf_framecode Citation_keyword _Category.ID 27 _Category.Name 'Citation_keyword' _category.Description ; Items in the citation_keyword category capture keywords that describe the contents of a citation. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 5 _Category.Category_group_name citations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 346 $_Citation_keyword.Keyword '_Citation_keyword.Keyword' 348 $_Citation_keyword.Entry_ID '_Citation_keyword.Entry_ID' 349 $_Citation_keyword.Citation_ID '_Citation_keyword.Citation_ID' 27 NMR-STAR stop_ save_ save__Citation_keyword.Keyword _Item.Sf_category item_description _Item.Sf_framecode '_Citation_keyword.Keyword' _Item.ID 346 _Item.Name '_Citation_keyword.Keyword' _Item.Description ; A single word or very brief phrase that characterizes the citation. ; _Item.Category_ID 27 _Item.Category_label $Citation_keyword _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Citation_keyword.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_keyword.Sf_ID' _Item.ID 347 _Item.Name '_Citation_keyword.Sf_ID' _Item.Description ; Pointer to '_Citation.Sf_ID' ; _Item.Category_ID 27 _Item.Category_label $Citation_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Citation_keyword.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_keyword.Entry_ID' _Item.ID 348 _Item.Name '_Citation_keyword.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 27 _Item.Category_label $Citation_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Citation_keyword.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_keyword.Citation_ID' _Item.ID 349 _Item.Name '_Citation_keyword.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 27 _Item.Category_label $Citation_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Citation_editor _Category.Sf_category category_description _Category.Sf_framecode Citation_editor _Category.ID 28 _Category.Name 'Citation_editor' _category.Description ; Items in the citation_editor category define the editors and the order of the names for a citation. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 5 _Category.Category_group_name citations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 350 $_Citation_editor.Ordinal '_Citation_editor.Ordinal' 357 $_Citation_editor.Entry_ID '_Citation_editor.Entry_ID' 358 $_Citation_editor.Citation_ID '_Citation_editor.Citation_ID' 28 NMR-STAR stop_ save_ save__Citation_editor.Ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Ordinal' _Item.ID 350 _Item.Name '_Citation_editor.Ordinal' _Item.Description ; Integer value defining the position of the editor's name in the list of editors. ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Citation_editor.Given_name _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Given_name' _Item.ID 351 _Item.Name '_Citation_editor.Given_name' _Item.Description ; The name given the editor at birth or currently used by the editor for publication purposes. Can be an initial if the editor uses a second name as a full name when publishing. ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Citation_editor.Family_name _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Family_name' _Item.ID 352 _Item.Name '_Citation_editor.Family_name' _Item.Description ; The family name of the editor. ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Citation_editor.First_initial _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.First_initial' _Item.ID 353 _Item.Name '_Citation_editor.First_initial' _Item.Description ; The editor's initial for their first name. ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation_editor.Middle_initials _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Middle_initials' _Item.ID 354 _Item.Name '_Citation_editor.Middle_initials' _Item.Description ; The initials for the editor's middle names. A name can be used here, if the editor uses a middle name for publications. ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Citation_editor.Family_title _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Family_title' _Item.ID 355 _Item.Name '_Citation_editor.Family_title' _Item.Description ; A common family title (not a professional title). ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Citation_editor.Family_title' Sr. Senior 355 28 NMR-STAR '_Citation_editor.Family_title' Jr. Junior 355 28 NMR-STAR '_Citation_editor.Family_title' I First 355 28 NMR-STAR '_Citation_editor.Family_title' II Second 355 28 NMR-STAR '_Citation_editor.Family_title' III Third 355 28 NMR-STAR '_Citation_editor.Family_title' IV Fourth 355 28 NMR-STAR '_Citation_editor.Family_title' V Fifth 355 28 NMR-STAR stop_ save_ save__Citation_editor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Sf_ID' _Item.ID 356 _Item.Name '_Citation_editor.Sf_ID' _Item.Description ; Pointer to '_Citation.Sf_ID' ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Citation_editor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Entry_ID' _Item.ID 357 _Item.Name '_Citation_editor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Citation_editor.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Citation_editor.Citation_ID' _Item.ID 358 _Item.Name '_Citation_editor.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 28 _Item.Category_label $Citation_editor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Reference_list _Category.Sf_category category_description _Category.Sf_framecode Reference_list _Category.ID 29 _Category.Name 'Reference_list' _category.Description ; Items in the reference_list category capture information related to all references listed in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 6 _Category.Category_group_name references _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 361 $_Reference_list.Entry_ID '_Reference_list.Entry_ID' 363 $_Reference_list.ID '_Reference_list.ID' 29 NMR-STAR stop_ save_ save__Reference_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Reference_list.Sf_category' _Item.ID 359 _Item.Name '_Reference_list.Sf_category' _Item.Description ; A category designation assigned to the save frame on the basis of the information content. ; _Item.Category_ID 29 _Item.Category_label $Reference_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Reference_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Reference_list.Sf_framecode' _Item.ID 360 _Item.Name '_Reference_list.Sf_framecode' _Item.Description ; A descriptive label for the save frame. ; _Item.Category_ID 29 _Item.Category_label $Reference_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Reference_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference_list.Entry_ID' _Item.ID 361 _Item.Name '_Reference_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 29 _Item.Category_label $Reference_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Reference_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference_list.Sf_ID' _Item.ID 362 _Item.Name '_Reference_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 29 _Item.Category_label $Reference_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Reference_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference_list.ID' _Item.ID 363 _Item.Name '_Reference_list.ID' _Item.Description ; A code that uniquely identifies the save frame from other save frames of this category. ; _Item.Category_ID 29 _Item.Category_label $Reference_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save_Reference _Category.Sf_category category_description _Category.Sf_framecode Reference _Category.ID 30 _Category.Name 'Reference' _category.Description ; Items in the reference category define information for each reference in the list. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 6 _Category.Category_group_name references _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 364 $_Reference.ID '_Reference.ID' 30 NMR-STAR stop_ save_ save__Reference.ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference.ID' _Item.ID 364 _Item.Name '_Reference.ID' _Item.Description ; A unique identifier for the reference. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Reference.Class _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Class' _Item.ID 365 _Item.Name '_Reference.Class' _Item.Description ; The class assigned to the reference. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Reference.Class' abstract ? 365 30 NMR-STAR '_Reference.Class' book ? 365 30 NMR-STAR '_Reference.Class' journal ? 365 30 NMR-STAR '_Reference.Class' thesis ? 365 30 NMR-STAR stop_ save_ save__Reference.Full_reference _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Full_reference' _Item.ID 366 _Item.Name '_Reference.Full_reference' _Item.Description ; Full publication citation including authors title journal page numbers year or equivalent information for the type of publication given. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Reference.Authors _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Authors' _Item.ID 367 _Item.Name '_Reference.Authors' _Item.Description ; Text listing of the authors of the cited reference. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Reference.Title _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Title' _Item.ID 368 _Item.Name '_Reference.Title' _Item.Description ; Title for the publication. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Reference.Journal_name_full _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Journal_name_full' _Item.ID 369 _Item.Name '_Reference.Journal_name_full' _Item.Description ; Full name used by the journal. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Reference.Year _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Year' _Item.ID 370 _Item.Name '_Reference.Year' _Item.Description ; Calendar year when the article was published. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Reference.Journal_volume _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Journal_volume' _Item.ID 371 _Item.Name '_Reference.Journal_volume' _Item.Description ; Volume designation used by the journal. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Reference.Journal_issue _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Journal_issue' _Item.ID 372 _Item.Name '_Reference.Journal_issue' _Item.Description ; Issue designation used by the journal. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Reference.DOI _Item.Sf_category item_description _Item.Sf_framecode '_Reference.DOI' _Item.ID 373 _Item.Name '_Reference.DOI' _Item.Description ; The digital object identifier assigned to the reference. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Reference.WWW_URL _Item.Sf_category item_description _Item.Sf_framecode '_Reference.WWW_URL' _Item.ID 374 _Item.Name '_Reference.WWW_URL' _Item.Description ; A World Wide Web universal locator that identifies the location of the cited material on the WWW. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Reference.PubMed_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference.PubMed_ID' _Item.ID 375 _Item.Name '_Reference.PubMed_ID' _Item.Description ; The identification code assigned to the publication by PubMed. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Reference.PubMed_URL _Item.Sf_category item_description _Item.Sf_framecode '_Reference.PubMed_URL' _Item.ID 376 _Item.Name '_Reference.PubMed_URL' _Item.Description ; The PubMed URL for the reference. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Reference.PMC_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference.PMC_ID' _Item.ID 377 _Item.Name '_Reference.PMC_ID' _Item.Description ; The PubMed Central unique identifier assigned to the referencd publication. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Reference.PMC_URL _Item.Sf_category item_description _Item.Sf_framecode '_Reference.PMC_URL' _Item.ID 378 _Item.Name '_Reference.PMC_URL' _Item.Description ; The PubMed Central URL for the referenced publication. ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Reference.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Sf_ID' _Item.ID 379 _Item.Name '_Reference.Sf_ID' _Item.Description ; Pointer to '_Reference_list.Sf_ID' ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Reference.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Entry_ID' _Item.ID 380 _Item.Name '_Reference.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Reference.Reference_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Reference.Reference_list_ID' _Item.ID 381 _Item.Name '_Reference.Reference_list_ID' _Item.Description ; Pointer to '_Reference_list.ID' ; _Item.Category_ID 30 _Item.Category_label $Reference _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly _Category.Sf_category category_description _Category.Sf_framecode Assembly _Category.ID 31 _Category.Name 'Assembly' _category.Description ; Items in the assembly category describe the molecular assembly studied. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 384 $_Assembly.Entry_ID '_Assembly.Entry_ID' 386 $_Assembly.ID '_Assembly.ID' 31 NMR-STAR stop_ save_ save__Assembly.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Sf_category' _Item.ID 382 _Item.Name '_Assembly.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Sf_framecode' _Item.ID 383 _Item.Name '_Assembly.Sf_framecode' _Item.Description ; A descriptive label for the molecular assembly studied. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Assembly.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Entry_ID' _Item.ID 384 _Item.Name '_Assembly.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Sf_ID' _Item.ID 385 _Item.Name '_Assembly.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly.ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.ID' _Item.ID 386 _Item.Name '_Assembly.ID' _Item.Description ; A code that uniquely identifies the molecular assembly described in the save frame. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly.Name _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Name' _Item.ID 387 _Item.Name '_Assembly.Name' _Item.Description ; Brief descriptive name for the molecular assembly studied. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Assembly.BMRB_code _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.BMRB_code' _Item.ID 388 _Item.Name '_Assembly.BMRB_code' _Item.Description ; Unique identifier for the molecular system in the BMRB library of molecular system definitions. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Assembly.Number_of_components _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Number_of_components' _Item.ID 389 _Item.Name '_Assembly.Number_of_components' _Item.Description ; An integer that represents the total number of molecular components that comprise the molecular system. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assembly.Organic_ligands _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Organic_ligands' _Item.ID 390 _Item.Name '_Assembly.Organic_ligands' _Item.Description ; Total number of organic ligands known to exist in the full molecular system. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assembly.Metal_ions _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Metal_ions' _Item.ID 391 _Item.Name '_Assembly.Metal_ions' _Item.Description ; Total number of metal ions known to exist in the molecular system ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assembly.Non_standard_bonds _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Non_standard_bonds' _Item.ID 392 _Item.Name '_Assembly.Non_standard_bonds' _Item.Description ; The molecular assembly contains covalent bonds such as cross-linking disulfide bonds; non-standard residue-residue bonds; ligand-residue bonds; or metal coordination bonds. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Assembly.Ambiguous_conformational_states _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Ambiguous_conformational_states' _Item.ID 393 _Item.Name '_Assembly.Ambiguous_conformational_states' _Item.Description ; A yes/no flag automatically filled in by BMRB software on the basis of the information (tag _Molecule_ambiguous conformational_states) provided in the save frames used to described the molecules in the system. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Assembly.Ambiguous_chem_comp_sites _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Ambiguous_chem_comp_sites' _Item.ID 394 _Item.Name '_Assembly.Ambiguous_chem_comp_sites' _Item.Description ; A yes/no flag automatically filled in by BMRB software on the basis of information (tag _Mol_ambiguous_moiety_sites) provided in the save frames used to described the molecules in the system. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Assembly.Molecules_in_chemical_exchange _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Molecules_in_chemical_exchange' _Item.ID 395 _Item.Name '_Assembly.Molecules_in_chemical_exchange' _Item.Description ; A yes/no flag that indicates when two molecular components in the system are in chemical exchange (I.e. a ligand that exists in both the free and bound state). ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Assembly.Paramagnetic _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Paramagnetic' _Item.ID 396 _Item.Name '_Assembly.Paramagnetic' _Item.Description ; A Yes or No flag used to describe whether the system is paramagnetic. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code yes _Item.Type_code 'yes_no' save_ save__Assembly.Thiol_state _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Thiol_state' _Item.ID 397 _Item.Name '_Assembly.Thiol_state' _Item.Description ; Description of the state of the thiol groups in the molecular system. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Assembly.Thiol_state' 'all disulfide bound' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'all other bound' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'all free' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'not present' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'not available' ? 397 31 NMR-STAR '_Assembly.Thiol_state' unknown ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'not reported' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'free and disulfide bound' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'free and other bound' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'free disulfide and other bound' ? 397 31 NMR-STAR '_Assembly.Thiol_state' 'disulfide and other bound' ? 397 31 NMR-STAR stop_ save_ save__Assembly.Molecular_mass _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Molecular_mass' _Item.ID 398 _Item.Name '_Assembly.Molecular_mass' _Item.Description ; Mass of the molecular system in Daltons. This value may be approximate. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assembly.Enzyme_commission_number _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Enzyme_commission_number' _Item.ID 399 _Item.Name '_Assembly.Enzyme_commission_number' _Item.Description ; The Enzyme Commission decimal code (number) assigned to the protein or molecular assembly, if available. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.Details' _Item.ID 400 _Item.Name '_Assembly.Details' _Item.Description ; Text description for the molecular system studied. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assembly.DB_query_date _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.DB_query_date' _Item.ID 401 _Item.Name '_Assembly.DB_query_date' _Item.Description ; Date the database was queried to derive links to the molecular assembly studied. GenBank is the database queried for these links. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Assembly.DB_query_revised_last_date _Item.Sf_category item_description _Item.Sf_framecode '_Assembly.DB_query_revised_last_date' _Item.ID 402 _Item.Name '_Assembly.DB_query_revised_last_date' _Item.Description ; The last date when new links to the molecular assembly were found through the database query. ; _Item.Category_ID 31 _Item.Category_label $Assembly _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save_Assembly_type _Category.Sf_category category_description _Category.Sf_framecode Assembly_type _Category.ID 32 _Category.Name 'Assembly_type' _category.Description ; Items in the assembly_type category describe the kind of assembly studied. These are keywords that are specific to a description of the assembly in terms of the types and number of components that make up the assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 403 $_Assembly_type.Type '_Assembly_type.Type' 405 $_Assembly_type.Entry_ID '_Assembly_type.Entry_ID' 406 $_Assembly_type.Assembly_ID '_Assembly_type.Assembly_ID' 32 NMR-STAR stop_ save_ save__Assembly_type.Type _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_type.Type' _Item.ID 403 _Item.Name '_Assembly_type.Type' _Item.Description ; Enumerated list of brief descriptive phrases that provide a loose way of classifying the system. A system may fit more than one item in the list and all appropriate values may be used for any specific system. ; _Item.Category_ID 32 _Item.Category_label $Assembly_type _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Assembly_type.Type' peptide ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein monomer' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein homo-multimer' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein hetero-multimer' ? 403 32 NMR-STAR '_Assembly_type.Type' 'RNA single strand' ? 403 32 NMR-STAR '_Assembly_type.Type' 'RNA double strand' ? 403 32 NMR-STAR '_Assembly_type.Type' 'DNA single strand' ? 403 32 NMR-STAR '_Assembly_type.Type' 'DNA double strand' ? 403 32 NMR-STAR '_Assembly_type.Type' 'DNA-RNA hybrid' ? 403 32 NMR-STAR '_Assembly_type.Type' polysaccharide ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-nucleic acid complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-inhibitor complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-drug complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-ligand complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-protein complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-DNA complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-DNA-ligand complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-DNA-inhibitor complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-RNA complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-RNA-ligand complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-RNA-inhibitor complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'protein-carbohydrate complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'DNA-drug complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'DNA-RNA complex' ? 403 32 NMR-STAR '_Assembly_type.Type' 'RNA-drug complex' ? 403 32 NMR-STAR '_Assembly_type.Type' non-polymer ? 403 32 NMR-STAR stop_ save_ save__Assembly_type.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_type.Sf_ID' _Item.ID 404 _Item.Name '_Assembly_type.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 32 _Item.Category_label $Assembly_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_type.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_type.Entry_ID' _Item.ID 405 _Item.Name '_Assembly_type.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 32 _Item.Category_label $Assembly_type _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_type.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_type.Assembly_ID' _Item.ID 406 _Item.Name '_Assembly_type.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 32 _Item.Category_label $Assembly_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_assembly _Category.Sf_category category_description _Category.Sf_framecode Entity_assembly _Category.ID 33 _Category.Name 'Entity_assembly' _category.Description ; Items in the entity_assembly category identify each molecule in the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 407 $_Entity_assembly.ID '_Entity_assembly.ID' 421 $_Entity_assembly.Entry_ID '_Entity_assembly.Entry_ID' 422 $_Entity_assembly.Assembly_ID '_Entity_assembly.Assembly_ID' 33 NMR-STAR stop_ save_ save__Entity_assembly.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.ID' _Item.ID 407 _Item.Name '_Entity_assembly.ID' _Item.Description ; Unique identifier for each component in the entity assembly. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_assembly.Entity_assembly_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Entity_assembly_name' _Item.ID 408 _Item.Name '_Entity_assembly.Entity_assembly_name' _Item.Description ; Name for this molecular component of the molecular assembly ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'line' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_assembly.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Entity_ID' _Item.ID 409 _Item.Name '_Entity_assembly.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_assembly.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Entity_label' _Item.ID 410 _Item.Name '_Entity_assembly.Entity_label' _Item.Description ; This value points to the section of the entry where the chemical description is given for all assembly components of this type. For a homodimer a chemical description of the monomer is given only once and is pointed to by this value although the assembly ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entity_assembly.Asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Asym_ID' _Item.ID 411 _Item.Name '_Entity_assembly.Asym_ID' _Item.Description ; Pointer to '_Struct_asym.ID' ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'code' _Item.Default_value '?' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_assembly.PDB_chain_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.PDB_chain_ID' _Item.ID 412 _Item.Name '_Entity_assembly.PDB_chain_ID' _Item.Description ; PDB chain ID. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_assembly.Experimental_data_reported _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Experimental_data_reported' _Item.ID 413 _Item.Name '_Entity_assembly.Experimental_data_reported' _Item.Description ; A flag indicating whether experimental data for a specific component of the assembly is reported. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity_assembly.Physical_state _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Physical_state' _Item.ID 414 _Item.Name '_Entity_assembly.Physical_state' _Item.Description ; An enumerated list of descriptive terms used to define the conformational state of the component of the assembly. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_assembly.Physical_state' native 'The entity in the assembly is in a biologically native state usually in a folded conformation' 414 33 NMR-STAR '_Entity_assembly.Physical_state' denatured 'The entity in the assembly is in a non-native state usually caused by the addition of denaturing agents like urea or guanidine hydrochloride' 414 33 NMR-STAR '_Entity_assembly.Physical_state' 'molten globule' 'A state somewhere between a native folded state and an unfolded state caused by environmental effects like pH or temperature' 414 33 NMR-STAR '_Entity_assembly.Physical_state' unfolded 'The entity in the assembly is in a state where little or no secondary structure exists but is not an IDP/IDR' 414 33 NMR-STAR '_Entity_assembly.Physical_state' 'intrinsically disordered' 'The entity in the assembly is considered an intrinsically disorder biopolymer (IDP) where the native state involves little organized secondary structure' 414 33 NMR-STAR '_Entity_assembly.Physical_state' 'partially disordered' 'The entity in the assembly contains regions of disordered structure (IDR) but is not fully unfolded or fully disordered' 414 33 NMR-STAR '_Entity_assembly.Physical_state' na 'The physical state of the entity in the assembly is an unknown physical state or may be in exchange between different physical states' 414 33 NMR-STAR stop_ save_ save__Entity_assembly.Conformational_isomer _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Conformational_isomer' _Item.ID 415 _Item.Name '_Entity_assembly.Conformational_isomer' _Item.Description ; A flag indicating whether the component of the system is a conformational isomer of another component of the system. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entity_assembly.Chemical_exchange_state _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Chemical_exchange_state' _Item.ID 416 _Item.Name '_Entity_assembly.Chemical_exchange_state' _Item.Description ; A flag indicating whether the component of the system is in chemical exchange with another component of the system. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entity_assembly.Magnetic_equivalence_group_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Magnetic_equivalence_group_code' _Item.ID 417 _Item.Name '_Entity_assembly.Magnetic_equivalence_group_code' _Item.Description ; Unique identifier for the group of assembly components within the assembly that are magnetically equivalent in that only one set of NMR peaks are observed for the group. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_assembly.Role _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Role' _Item.ID 418 _Item.Name '_Entity_assembly.Role' _Item.Description ; The function of the asembly component within the assembly. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_assembly.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Details' _Item.ID 419 _Item.Name '_Entity_assembly.Details' _Item.Description ; Text information describing the component of the assembly that is pertinent to the component as found in the assembly. Specific details about the entity are given in the entity category. ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_assembly.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Sf_ID' _Item.ID 420 _Item.Name '_Entity_assembly.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_assembly.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Entry_ID' _Item.ID 421 _Item.Name '_Entity_assembly.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_assembly.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_assembly.Assembly_ID' _Item.ID 422 _Item.Name '_Entity_assembly.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 33 _Item.Category_label $Entity_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Bond _Category.Sf_category category_description _Category.Sf_framecode Bond _Category.ID 34 _Category.Name 'Bond' _category.Description ; Items in the bond category define a unique identifier for each bond in the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 423 $_Bond.ID '_Bond.ID' 455 $_Bond.Entry_ID '_Bond.Entry_ID' 456 $_Bond.Assembly_ID '_Bond.Assembly_ID' 34 NMR-STAR stop_ save_ save__Bond.ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond.ID' _Item.ID 423 _Item.Name '_Bond.ID' _Item.Description ; Unique identifier for the bond being defined. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Type _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Type' _Item.ID 424 _Item.Name '_Bond.Type' _Item.Description ; A descriptive phrase or word that characterized the bond. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Bond.Type' amide ? 424 34 NMR-STAR '_Bond.Type' covalent ? 424 34 NMR-STAR '_Bond.Type' directed 'N -> O' 424 34 NMR-STAR '_Bond.Type' disulfide ? 424 34 NMR-STAR '_Bond.Type' ester ? 424 34 NMR-STAR '_Bond.Type' ether ? 424 34 NMR-STAR '_Bond.Type' hydrogen ? 424 34 NMR-STAR '_Bond.Type' 'metal coordination' ? 424 34 NMR-STAR '_Bond.Type' peptide ? 424 34 NMR-STAR '_Bond.Type' thioether ? 424 34 NMR-STAR '_Bond.Type' oxime ? 424 34 NMR-STAR '_Bond.Type' thioester ? 424 34 NMR-STAR '_Bond.Type' phosphoester ? 424 34 NMR-STAR '_Bond.Type' phosphodiester ? 424 34 NMR-STAR '_Bond.Type' diselenide ? 424 34 NMR-STAR '_Bond.Type' na ? 424 34 NMR-STAR stop_ save_ save__Bond.Value_order _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Value_order' _Item.ID 425 _Item.Name '_Bond.Value_order' _Item.Description ; The order of the bond between two atoms (i.e., single, double, etc.) ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Bond.Value_order' sing 'single bond' 425 34 NMR-STAR '_Bond.Value_order' doub 'double bond' 425 34 NMR-STAR '_Bond.Value_order' trip 'triple bond' 425 34 NMR-STAR '_Bond.Value_order' quad 'quadruple bond' 425 34 NMR-STAR '_Bond.Value_order' arom 'aromatic bond' 425 34 NMR-STAR '_Bond.Value_order' poly 'polymeric bond' 425 34 NMR-STAR '_Bond.Value_order' delo 'delocalized double bond' 425 34 NMR-STAR '_Bond.Value_order' pi 'pi bond' 425 34 NMR-STAR '_Bond.Value_order' directed 'N ->O' 425 34 NMR-STAR stop_ save_ save__Bond.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Assembly_atom_ID_1' _Item.ID 426 _Item.Name '_Bond.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entity_assembly_ID_1' _Item.ID 427 _Item.Name '_Bond.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Entity_assembly_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entity_assembly_name_1' _Item.ID 428 _Item.Name '_Bond.Entity_assembly_name_1' _Item.Description ; Pointer to '_Entity_assembly.Entity_assembly_name' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entity_ID_1' _Item.ID 429 _Item.Name '_Bond.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Comp_ID_1' _Item.ID 430 _Item.Name '_Bond.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Comp_index_ID_1' _Item.ID 431 _Item.Name '_Bond.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Seq_ID_1' _Item.ID 432 _Item.Name '_Bond.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Atom_ID_1' _Item.ID 433 _Item.Name '_Bond.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Bond.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Assembly_atom_ID_2' _Item.ID 434 _Item.Name '_Bond.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entity_assembly_ID_2' _Item.ID 435 _Item.Name '_Bond.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Entity_assembly_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entity_assembly_name_2' _Item.ID 436 _Item.Name '_Bond.Entity_assembly_name_2' _Item.Description ; Pointer to '_Entity_assembly.Entity_assembly_name' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entity_ID_2' _Item.ID 437 _Item.Name '_Bond.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Comp_ID_2' _Item.ID 438 _Item.Name '_Bond.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Comp_index_ID_2' _Item.ID 439 _Item.Name '_Bond.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Seq_ID_2' _Item.ID 440 _Item.Name '_Bond.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Atom_ID_2' _Item.ID 441 _Item.Name '_Bond.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Bond.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_entity_assembly_ID_1' _Item.ID 442 _Item.Name '_Bond.Auth_entity_assembly_ID_1' _Item.Description ; Enter the name given to the biopolymer or ligand as a component of the molecular system where the first atom in the bond is located. For complex systems that have many components, this might be something like 'alpha chain 1' or 'heme 3'. A pull down list ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond.Auth_entity_assembly_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_entity_assembly_name_1' _Item.ID 443 _Item.Name '_Bond.Auth_entity_assembly_name_1' _Item.Description ; Enter the name given to the biopolymer or ligand as a component of the molecular system where the first atom in the bond is located. For complex systems that have many components, this might be something like 'alpha chain 1' or 'heme 3'. A pull down list ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_asym_ID_1' _Item.ID 444 _Item.Name '_Bond.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID provided by an author. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_seq_ID_1' _Item.ID 445 _Item.Name '_Bond.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_comp_ID_1' _Item.ID 446 _Item.Name '_Bond.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_atom_ID_1' _Item.ID 447 _Item.Name '_Bond.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_entity_assembly_ID_2' _Item.ID 448 _Item.Name '_Bond.Auth_entity_assembly_ID_2' _Item.Description ; Enter the name given to the biopolymer or ligand as a component of the molecular system where the second atom in the bond is located. For complex systems that have many components, this might be something like 'alpha chain 1' or 'heme 3'. A pull down list ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond.Auth_entity_assembly_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_entity_assembly_name_2' _Item.ID 449 _Item.Name '_Bond.Auth_entity_assembly_name_2' _Item.Description ; Enter the name given to the biopolymer or ligand as a component of the molecular system where the second atom in the bond is located. For complex systems that have many components, this might be something like 'alpha chain 1' or 'heme 3'. A pull down list ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_asym_ID_2' _Item.ID 450 _Item.Name '_Bond.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID provided by an author. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_seq_ID_2' _Item.ID 451 _Item.Name '_Bond.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_comp_ID_2' _Item.ID 452 _Item.Name '_Bond.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Auth_atom_ID_2' _Item.ID 453 _Item.Name '_Bond.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Sf_ID' _Item.ID 454 _Item.Name '_Bond.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Entry_ID' _Item.ID 455 _Item.Name '_Bond.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond.Assembly_ID' _Item.ID 456 _Item.Name '_Bond.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 34 _Item.Category_label $Bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_deleted_atom _Category.Sf_category category_description _Category.Sf_framecode Entity_deleted_atom _Category.ID 35 _Category.Name 'Entity_deleted_atom' _category.Description ; Items in the entity_deleted_atom category define the atoms that are deleted from molecular entities when intermolecular bonds are formed to construct the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 457 $_Entity_deleted_atom.ID '_Entity_deleted_atom.ID' 470 $_Entity_deleted_atom.Entry_ID '_Entity_deleted_atom.Entry_ID' 471 $_Entity_deleted_atom.Assembly_ID '_Entity_deleted_atom.Assembly_ID' 35 NMR-STAR stop_ save_ save__Entity_deleted_atom.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.ID' _Item.ID 457 _Item.Name '_Entity_deleted_atom.ID' _Item.Description ; Unique identifier for the listed deleted atom. ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_deleted_atom.Entity_atom_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Entity_atom_list_ID' _Item.ID 458 _Item.Name '_Entity_deleted_atom.Entity_atom_list_ID' _Item.Description ; Pointer to '_Entity_atom_list.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_deleted_atom.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Entity_assembly_ID' _Item.ID 459 _Item.Name '_Entity_deleted_atom.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_deleted_atom.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Entity_ID' _Item.ID 460 _Item.Name '_Entity_deleted_atom.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_deleted_atom.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Comp_ID' _Item.ID 461 _Item.Name '_Entity_deleted_atom.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_deleted_atom.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Comp_index_ID' _Item.ID 462 _Item.Name '_Entity_deleted_atom.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_deleted_atom.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Seq_ID' _Item.ID 463 _Item.Name '_Entity_deleted_atom.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num'. ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_deleted_atom.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Atom_ID' _Item.ID 464 _Item.Name '_Entity_deleted_atom.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Entity_deleted_atom.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Auth_entity_assembly_ID' _Item.ID 465 _Item.Name '_Entity_deleted_atom.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_deleted_atom.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Auth_seq_ID' _Item.ID 466 _Item.Name '_Entity_deleted_atom.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_deleted_atom.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Auth_comp_ID' _Item.ID 467 _Item.Name '_Entity_deleted_atom.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_deleted_atom.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Auth_atom_ID' _Item.ID 468 _Item.Name '_Entity_deleted_atom.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_deleted_atom.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Sf_ID' _Item.ID 469 _Item.Name '_Entity_deleted_atom.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_deleted_atom.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Entry_ID' _Item.ID 470 _Item.Name '_Entity_deleted_atom.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_deleted_atom.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_deleted_atom.Assembly_ID' _Item.ID 471 _Item.Name '_Entity_deleted_atom.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 35 _Item.Category_label $Entity_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Struct_asym _Category.Sf_category category_description _Category.Sf_framecode Struct_asym _Category.ID 36 _Category.Name 'Struct_asym' _category.Description ; Data items in the struct_asym category record details about the structural elements in the asymmetric unit. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 472 $_Struct_asym.ID '_Struct_asym.ID' 478 $_Struct_asym.Entry_ID '_Struct_asym.Entry_ID' 479 $_Struct_asym.Assembly_ID '_Struct_asym.Assembly_ID' 36 NMR-STAR stop_ save_ save__Struct_asym.ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.ID' _Item.ID 472 _Item.Name '_Struct_asym.ID' _Item.Description ; The value of '_Struct_asym.ID' must uniquely identify a record in the STRUCT_ASYM list. Note that this item need not be a number; it can be any unique identifier. ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code yes _Item.Type_code 'code' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Struct_asym.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.Entity_ID' _Item.ID 473 _Item.Name '_Struct_asym.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_asym.PDBX_blank_PDB_chainid_flag _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.PDBX_blank_PDB_chainid_flag' _Item.ID 474 _Item.Name '_Struct_asym.PDBX_blank_PDB_chainid_flag' _Item.Description ; A flag indicating that this entity was originally labeled with a blank PDB chain id. ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Struct_asym.PDBX_modified _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.PDBX_modified' _Item.ID 475 _Item.Name '_Struct_asym.PDBX_modified' _Item.Description ; This data item indicates whether the structural elements are modified. ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Struct_asym.Details _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.Details' _Item.ID 476 _Item.Name '_Struct_asym.Details' _Item.Description ; A description of special aspects of this portion of the contents of the asymmetric unit. ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Struct_asym.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.Sf_ID' _Item.ID 477 _Item.Name '_Struct_asym.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_asym.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.Entry_ID' _Item.ID 478 _Item.Name '_Struct_asym.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Struct_asym.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_asym.Assembly_ID' _Item.ID 479 _Item.Name '_Struct_asym.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 36 _Item.Category_label $Struct_asym _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_db_link _Category.Sf_category category_description _Category.Sf_framecode Assembly_db_link _Category.ID 37 _Category.Name 'Assembly_db_link' _category.Description ; Items in the assembly_db_link category capture information about databases and accession codes of entries related to the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 481 $_Assembly_db_link.Database_code '_Assembly_db_link.Database_code' 482 $_Assembly_db_link.Accession_code '_Assembly_db_link.Accession_code' 490 $_Assembly_db_link.Entry_ID '_Assembly_db_link.Entry_ID' 491 $_Assembly_db_link.Assembly_ID '_Assembly_db_link.Assembly_ID' 37 NMR-STAR stop_ save_ save__Assembly_db_link.Author_supplied _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Author_supplied' _Item.ID 480 _Item.Name '_Assembly_db_link.Author_supplied' _Item.Description ; Flag indicating if the database accession number was supplied by the author . ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code yes _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Assembly_db_link.Database_code _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Database_code' _Item.ID 481 _Item.Name '_Assembly_db_link.Database_code' _Item.Description ; Abbreviation for the database ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Assembly_db_link.Database_code' PDB 'Protein Data Bank' 481 37 NMR-STAR '_Assembly_db_link.Database_code' BMRB 'BioMagResBank' 481 37 NMR-STAR '_Assembly_db_link.Database_code' DBJ ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' EMBL ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' GB ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' PIR ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' PRF ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' REF ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' SP ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' UNP ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' NCBI ? 481 37 NMR-STAR '_Assembly_db_link.Database_code' PubMed 'NCBI PubMed' 481 37 NMR-STAR '_Assembly_db_link.Database_code' SGD 'Saccharomyces Genome Database' 481 37 NMR-STAR '_Assembly_db_link.Database_code' SMART 'Simple Modular Architecture Research Tool' 481 37 NMR-STAR '_Assembly_db_link.Database_code' TargetDB 'Target registration database' 481 37 NMR-STAR '_Assembly_db_link.Database_code' BMRB(withdrawn) 'BMRB withdrawn accession code' 481 37 NMR-STAR stop_ save_ save__Assembly_db_link.Accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Accession_code' _Item.ID 482 _Item.Name '_Assembly_db_link.Accession_code' _Item.Description ; Accession code for the entry in the database. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_db_link.Entry_mol_code _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_mol_code' _Item.ID 483 _Item.Name '_Assembly_db_link.Entry_mol_code' _Item.Description ; Code given to the molecule by the database where the entry is located. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_db_link.Entry_mol_name _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_mol_name' _Item.ID 484 _Item.Name '_Assembly_db_link.Entry_mol_name' _Item.Description ; Name of the molecular assembly in the database entry. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_db_link.Entry_experimental_method _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_experimental_method' _Item.ID 485 _Item.Name '_Assembly_db_link.Entry_experimental_method' _Item.Description ; Experimental method used to generate the data in the database entry. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Assembly_db_link.Entry_experimental_method' X-ray ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' 'solution NMR' ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' 'solid-state NMR' ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' FTIR ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' 'mass spectrometry' ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' XAFS ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' NMR ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' 'X-ray crystallography' ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' 'X-ray fiber diffraction' ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' 'solid-state NMR and X-ray fiber diffraction' ? 485 37 NMR-STAR '_Assembly_db_link.Entry_experimental_method' na ? 485 37 NMR-STAR stop_ save_ save__Assembly_db_link.Entry_structure_resolution _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_structure_resolution' _Item.ID 486 _Item.Name '_Assembly_db_link.Entry_structure_resolution' _Item.Description ; The resolution of the data in a structure entry. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assembly_db_link.Entry_relation_type _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_relation_type' _Item.ID 487 _Item.Name '_Assembly_db_link.Entry_relation_type' _Item.Description ; Relationship between the database entry and this BMRB entry. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_db_link.Entry_details _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_details' _Item.ID 488 _Item.Name '_Assembly_db_link.Entry_details' _Item.Description ; Any text information relevant to the database entry. ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assembly_db_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Sf_ID' _Item.ID 489 _Item.Name '_Assembly_db_link.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_db_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Entry_ID' _Item.ID 490 _Item.Name '_Assembly_db_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_db_link.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_db_link.Assembly_ID' _Item.ID 491 _Item.Name '_Assembly_db_link.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 37 _Item.Category_label $Assembly_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_common_name _Category.Sf_category category_description _Category.Sf_framecode Assembly_common_name _Category.ID 38 _Category.Name 'Assembly_common_name' _category.Description ; Items in the assembly_common_name category define common names associated with the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 492 $_Assembly_common_name.Name '_Assembly_common_name.Name' 493 $_Assembly_common_name.Type '_Assembly_common_name.Type' 495 $_Assembly_common_name.Entry_ID '_Assembly_common_name.Entry_ID' 496 $_Assembly_common_name.Assembly_ID '_Assembly_common_name.Assembly_ID' 38 NMR-STAR stop_ save_ save__Assembly_common_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_common_name.Name' _Item.ID 492 _Item.Name '_Assembly_common_name.Name' _Item.Description ; Synonyms commonly used to name the molecular assembly. ; _Item.Category_ID 38 _Item.Category_label $Assembly_common_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Assembly_common_name.Type _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_common_name.Type' _Item.ID 493 _Item.Name '_Assembly_common_name.Type' _Item.Description ; Common names may have different types (full names, abbreviations, etc.) ; _Item.Category_ID 38 _Item.Category_label $Assembly_common_name _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_common_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_common_name.Sf_ID' _Item.ID 494 _Item.Name '_Assembly_common_name.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 38 _Item.Category_label $Assembly_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_common_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_common_name.Entry_ID' _Item.ID 495 _Item.Name '_Assembly_common_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 38 _Item.Category_label $Assembly_common_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_common_name.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_common_name.Assembly_ID' _Item.ID 496 _Item.Name '_Assembly_common_name.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 38 _Item.Category_label $Assembly_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_systematic_name _Category.Sf_category category_description _Category.Sf_framecode Assembly_systematic_name _Category.ID 39 _Category.Name 'Assembly_systematic_name' _category.Description ; Items in the assembly_systematic_name category capture systematic naming systems and the systematic name for the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 498 $_Assembly_systematic_name.Naming_system '_Assembly_systematic_name.Naming_system' 500 $_Assembly_systematic_name.Entry_ID '_Assembly_systematic_name.Entry_ID' 501 $_Assembly_systematic_name.Assembly_ID '_Assembly_systematic_name.Assembly_ID' 39 NMR-STAR stop_ save_ save__Assembly_systematic_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_systematic_name.Name' _Item.ID 497 _Item.Name '_Assembly_systematic_name.Name' _Item.Description ; Name for the molecular assembly that has been assigned by an organization or derived using rules defined by an organization recognized by the scientific community. ; _Item.Category_ID 39 _Item.Category_label $Assembly_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Assembly_systematic_name.Naming_system _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_systematic_name.Naming_system' _Item.ID 498 _Item.Name '_Assembly_systematic_name.Naming_system' _Item.Description ; A recognized or common systematic method used to name molecules and molecular systems. ; _Item.Category_ID 39 _Item.Category_label $Assembly_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Assembly_systematic_name.Naming_system' IUPAC ? 498 39 NMR-STAR '_Assembly_systematic_name.Naming_system' 'CAS name' ? 498 39 NMR-STAR '_Assembly_systematic_name.Naming_system' 'CAS registry number' ? 498 39 NMR-STAR '_Assembly_systematic_name.Naming_system' BMRB ? 498 39 NMR-STAR '_Assembly_systematic_name.Naming_system' Pfam ? 498 39 NMR-STAR '_Assembly_systematic_name.Naming_system' Swiss-Prot ? 498 39 NMR-STAR '_Assembly_systematic_name.Naming_system' MEROPS ? 498 39 NMR-STAR stop_ save_ save__Assembly_systematic_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_systematic_name.Sf_ID' _Item.ID 499 _Item.Name '_Assembly_systematic_name.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 39 _Item.Category_label $Assembly_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_systematic_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_systematic_name.Entry_ID' _Item.ID 500 _Item.Name '_Assembly_systematic_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 39 _Item.Category_label $Assembly_systematic_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_systematic_name.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_systematic_name.Assembly_ID' _Item.ID 501 _Item.Name '_Assembly_systematic_name.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 39 _Item.Category_label $Assembly_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_interaction _Category.Sf_category category_description _Category.Sf_framecode Assembly_interaction _Category.ID 40 _Category.Name 'Assembly_interaction' _category.Description ; Items in the assembly_interaction category capture information about the types of interactions between components of the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 502 $_Assembly_interaction.ID '_Assembly_interaction.ID' 507 $_Assembly_interaction.Entry_ID '_Assembly_interaction.Entry_ID' 508 $_Assembly_interaction.Assembly_ID '_Assembly_interaction.Assembly_ID' 40 NMR-STAR stop_ save_ save__Assembly_interaction.ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.ID' _Item.ID 502 _Item.Name '_Assembly_interaction.ID' _Item.Description ; Unique identifier for the interaction between two components of the assembly. ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_interaction.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.Entity_assembly_ID_1' _Item.ID 503 _Item.Name '_Assembly_interaction.Entity_assembly_ID_1' _Item.Description ; Identifier for the first component of the assembly that is involved interaction. Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'int' _Item.Enumeration_closed_code yes save_ save__Assembly_interaction.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.Entity_assembly_ID_2' _Item.ID 504 _Item.Name '_Assembly_interaction.Entity_assembly_ID_2' _Item.Description ; Identifier for the second component of the assembly involved in the interaction. Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'int' _Item.Enumeration_closed_code yes save_ save__Assembly_interaction.Mol_interaction_type _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.Mol_interaction_type' _Item.ID 505 _Item.Name '_Assembly_interaction.Mol_interaction_type' _Item.Description ; The kind of interaction two components of the molecular assembly are undergoing in the sample. ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Assembly_interaction.Mol_interaction_type' 'Extremely slow exchange' ? 505 40 NMR-STAR '_Assembly_interaction.Mol_interaction_type' 'Slow exchange' ? 505 40 NMR-STAR '_Assembly_interaction.Mol_interaction_type' 'Intermediate exchange' ? 505 40 NMR-STAR '_Assembly_interaction.Mol_interaction_type' 'Fast exchange' ? 505 40 NMR-STAR '_Assembly_interaction.Mol_interaction_type' 'No interaction' ? 505 40 NMR-STAR '_Assembly_interaction.Mol_interaction_type' na ? 505 40 NMR-STAR stop_ save_ save__Assembly_interaction.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.Sf_ID' _Item.ID 506 _Item.Name '_Assembly_interaction.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_interaction.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.Entry_ID' _Item.ID 507 _Item.Name '_Assembly_interaction.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_interaction.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_interaction.Assembly_ID' _Item.ID 508 _Item.Name '_Assembly_interaction.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 40 _Item.Category_label $Assembly_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_comp_assembly _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_assembly _Category.ID 41 _Category.Name 'Chem_comp_assembly' _category.Description ; Items in the chem_comp_assembly category provide chemical component level nomenclature and mappings across both biopolymer and non-polymer components of the molecular assembly. ; _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 510 $_Chem_comp_assembly.Entity_assembly_ID '_Chem_comp_assembly.Entity_assembly_ID' 512 $_Chem_comp_assembly.Comp_index_ID '_Chem_comp_assembly.Comp_index_ID' 524 $_Chem_comp_assembly.Entry_ID '_Chem_comp_assembly.Entry_ID' 525 $_Chem_comp_assembly.Assembly_ID '_Chem_comp_assembly.Assembly_ID' 41 NMR-STAR stop_ save_ save__Chem_comp_assembly.Assembly_chem_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Assembly_chem_comp_ID' _Item.ID 509 _Item.Name '_Chem_comp_assembly.Assembly_chem_comp_ID' _Item.Description ; A sequence number from a sequence numbering scheme employed because of a requirement of a software applications. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Entity_assembly_ID' _Item.ID 510 _Item.Name '_Chem_comp_assembly.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_assembly.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Entity_ID' _Item.ID 511 _Item.Name '_Chem_comp_assembly.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_assembly.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Comp_index_ID' _Item.ID 512 _Item.Name '_Chem_comp_assembly.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_assembly.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Comp_ID' _Item.ID 513 _Item.Name '_Chem_comp_assembly.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Seq_ID' _Item.ID 514 _Item.Name '_Chem_comp_assembly.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_assembly.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Auth_entity_assembly_ID' _Item.ID 515 _Item.Name '_Chem_comp_assembly.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Auth_asym_ID' _Item.ID 516 _Item.Name '_Chem_comp_assembly.Auth_asym_ID' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Auth_seq_ID' _Item.ID 517 _Item.Name '_Chem_comp_assembly.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Auth_comp_ID' _Item.ID 518 _Item.Name '_Chem_comp_assembly.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Auth_variant_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Auth_variant_ID' _Item.ID 519 _Item.Name '_Chem_comp_assembly.Auth_variant_ID' _Item.Description ; An alternative identifier that describes a variant of the chemical component. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Sequence_linking _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Sequence_linking' _Item.ID 520 _Item.Name '_Chem_comp_assembly.Sequence_linking' _Item.Description ; A code to describe sequential linking status of the chemical component (residue) in the molecular assembly. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_assembly.Cis_residue _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Cis_residue' _Item.ID 521 _Item.Name '_Chem_comp_assembly.Cis_residue' _Item.Description ; A flag indicating if the residue has a cis peptide bond conformation. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp_assembly.NEF_index _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.NEF_index' _Item.ID 522 _Item.Name '_Chem_comp_assembly.NEF_index' _Item.Description ; A value imported from NEF files. A row number from the polymer sequence table in a NEF file. ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_assembly.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Sf_ID' _Item.ID 523 _Item.Name '_Chem_comp_assembly.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_assembly.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Entry_ID' _Item.ID 524 _Item.Name '_Chem_comp_assembly.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_assembly.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_assembly.Assembly_ID' _Item.ID 525 _Item.Name '_Chem_comp_assembly.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 41 _Item.Category_label $Chem_comp_assembly _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_PDBX_poly_seq_scheme _Category.Sf_category category_description _Category.Sf_framecode PDBX_poly_seq_scheme _Category.ID 42 _Category.Name 'PDBX_poly_seq_scheme' _category.Description ; Items in the PDBX_poly_seq_scheme category provide residue level nomenclature mapping for polymer entities. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 526 $_PDBX_poly_seq_scheme.Entity_assembly_ID '_PDBX_poly_seq_scheme.Entity_assembly_ID' 528 $_PDBX_poly_seq_scheme.Comp_index_ID '_PDBX_poly_seq_scheme.Comp_index_ID' 542 $_PDBX_poly_seq_scheme.Entry_ID '_PDBX_poly_seq_scheme.Entry_ID' 543 $_PDBX_poly_seq_scheme.Assembly_ID '_PDBX_poly_seq_scheme.Assembly_ID' 42 NMR-STAR stop_ save_ save__PDBX_poly_seq_scheme.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Entity_assembly_ID' _Item.ID 526 _Item.Name '_PDBX_poly_seq_scheme.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_poly_seq_scheme.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Entity_ID' _Item.ID 527 _Item.Name '_PDBX_poly_seq_scheme.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PDBX_poly_seq_scheme.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Comp_index_ID' _Item.ID 528 _Item.Name '_PDBX_poly_seq_scheme.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_poly_seq_scheme.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Comp_ID' _Item.ID 529 _Item.Name '_PDBX_poly_seq_scheme.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Comp_label _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Comp_label' _Item.ID 530 _Item.Name '_PDBX_poly_seq_scheme.Comp_label' _Item.Description ; Pointer to a save frame of the category chem_comp. ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__PDBX_poly_seq_scheme.Asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Asym_ID' _Item.ID 531 _Item.Name '_PDBX_poly_seq_scheme.Asym_ID' _Item.Description ; Pointer to '_Struct_asym.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Seq_ID' _Item.ID 532 _Item.Name '_PDBX_poly_seq_scheme.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_poly_seq_scheme.Mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Mon_ID' _Item.ID 533 _Item.Name '_PDBX_poly_seq_scheme.Mon_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Mon_ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Hetero _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Hetero' _Item.ID 534 _Item.Name '_PDBX_poly_seq_scheme.Hetero' _Item.Description ; Flag indicating if the sequence is heterogeneous at the position. ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'ucode' save_ save__PDBX_poly_seq_scheme.PDB_seq_num _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.PDB_seq_num' _Item.ID 535 _Item.Name '_PDBX_poly_seq_scheme.PDB_seq_num' _Item.Description ; PDB residue number. ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.PDB_mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.PDB_mon_ID' _Item.ID 536 _Item.Name '_PDBX_poly_seq_scheme.PDB_mon_ID' _Item.Description ; PDB residue name. ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.PDB_chain_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.PDB_chain_ID' _Item.ID 537 _Item.Name '_PDBX_poly_seq_scheme.PDB_chain_ID' _Item.Description ; PDB strand/chain id. ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.PDB_ins_code _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.PDB_ins_code' _Item.ID 538 _Item.Name '_PDBX_poly_seq_scheme.PDB_ins_code' _Item.Description ; PDB insertion code. ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Auth_seq_num _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Auth_seq_num' _Item.ID 539 _Item.Name '_PDBX_poly_seq_scheme.Auth_seq_num' _Item.Description ; Pointer to '_Atom_site.Auth_seq_ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Auth_mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Auth_mon_ID' _Item.ID 540 _Item.Name '_PDBX_poly_seq_scheme.Auth_mon_ID' _Item.Description ; Pointer to '_Atom_site.Auth_comp_ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Sf_ID' _Item.ID 541 _Item.Name '_PDBX_poly_seq_scheme.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_poly_seq_scheme.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Entry_ID' _Item.ID 542 _Item.Name '_PDBX_poly_seq_scheme.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PDBX_poly_seq_scheme.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_poly_seq_scheme.Assembly_ID' _Item.ID 543 _Item.Name '_PDBX_poly_seq_scheme.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 42 _Item.Category_label $PDBX_poly_seq_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_PDBX_nonpoly_scheme _Category.Sf_category category_description _Category.Sf_framecode PDBX_nonpoly_scheme _Category.ID 43 _Category.Name 'PDBX_nonpoly_scheme' _category.Description ; Items in the PDBX_nonpoly_scheme category provide residue level nomenclature mapping for non-polymer entities. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 544 $_PDBX_nonpoly_scheme.Entity_assembly_ID '_PDBX_nonpoly_scheme.Entity_assembly_ID' 557 $_PDBX_nonpoly_scheme.Entry_ID '_PDBX_nonpoly_scheme.Entry_ID' 558 $_PDBX_nonpoly_scheme.Assembly_ID '_PDBX_nonpoly_scheme.Assembly_ID' 43 NMR-STAR stop_ save_ save__PDBX_nonpoly_scheme.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Entity_assembly_ID' _Item.ID 544 _Item.Name '_PDBX_nonpoly_scheme.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_nonpoly_scheme.Asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Asym_ID' _Item.ID 545 _Item.Name '_PDBX_nonpoly_scheme.Asym_ID' _Item.Description ; Pointer to '_Struct_asym.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Entity_ID' _Item.ID 546 _Item.Name '_PDBX_nonpoly_scheme.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_nonpoly_scheme.Mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Mon_ID' _Item.ID 547 _Item.Name '_PDBX_nonpoly_scheme.Mon_ID' _Item.Description ; Pointer to _Atom_site.Label_comp_ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Comp_index_ID' _Item.ID 548 _Item.Name '_PDBX_nonpoly_scheme.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PDBX_nonpoly_scheme.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Comp_ID' _Item.ID 549 _Item.Name '_PDBX_nonpoly_scheme.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.PDB_seq_num _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.PDB_seq_num' _Item.ID 550 _Item.Name '_PDBX_nonpoly_scheme.PDB_seq_num' _Item.Description ; PDB residue number. ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.Auth_seq_num _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Auth_seq_num' _Item.ID 551 _Item.Name '_PDBX_nonpoly_scheme.Auth_seq_num' _Item.Description ; Pointer to '_Atom_site.Auth_seq_ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.PDB_mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.PDB_mon_ID' _Item.ID 552 _Item.Name '_PDBX_nonpoly_scheme.PDB_mon_ID' _Item.Description ; PDB residue name. ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.Auth_mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Auth_mon_ID' _Item.ID 553 _Item.Name '_PDBX_nonpoly_scheme.Auth_mon_ID' _Item.Description ; Pointer to '_Atom_site.Auth_comp_ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.PDB_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.PDB_strand_ID' _Item.ID 554 _Item.Name '_PDBX_nonpoly_scheme.PDB_strand_ID' _Item.Description ; PDB strand/chain id. ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.PDB_ins_code _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.PDB_ins_code' _Item.ID 555 _Item.Name '_PDBX_nonpoly_scheme.PDB_ins_code' _Item.Description ; PDB insertion code. ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Sf_ID' _Item.ID 556 _Item.Name '_PDBX_nonpoly_scheme.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_nonpoly_scheme.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Entry_ID' _Item.ID 557 _Item.Name '_PDBX_nonpoly_scheme.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PDBX_nonpoly_scheme.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_nonpoly_scheme.Assembly_ID' _Item.ID 558 _Item.Name '_PDBX_nonpoly_scheme.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 43 _Item.Category_label $PDBX_nonpoly_scheme _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Atom_type _Category.Sf_category category_description _Category.Sf_framecode Atom_type _Category.ID 44 _Category.Name 'Atom_type' _category.Description ; Items in the atom_type category describe atoms from the periodic table. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 559 $_Atom_type.ID '_Atom_type.ID' 570 $_Atom_type.Entry_ID '_Atom_type.Entry_ID' 571 $_Atom_type.Assembly_ID '_Atom_type.Assembly_ID' 44 NMR-STAR stop_ save_ save__Atom_type.ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.ID' _Item.ID 559 _Item.Name '_Atom_type.ID' _Item.Description ; Integer value that uniquely defines the atom type. The primary key for this table. ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom_type.Symbol _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Symbol' _Item.ID 560 _Item.Name '_Atom_type.Symbol' _Item.Description ; Standard IUPAC atom symbol ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_type.Atomic_number _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Atomic_number' _Item.ID 561 _Item.Name '_Atom_type.Atomic_number' _Item.Description ; Atom atomic number ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_type.Isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Isotope_number' _Item.ID 562 _Item.Name '_Atom_type.Isotope_number' _Item.Description ; Atom mass number ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_type.Oxidation_number _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Oxidation_number' _Item.ID 563 _Item.Name '_Atom_type.Oxidation_number' _Item.Description ; Atom oxidation number ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_type.Paramagnetic _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Paramagnetic' _Item.ID 564 _Item.Name '_Atom_type.Paramagnetic' _Item.Description ; Flag indicating if the atom is paramagnetic. ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Atom_type.Electron_configuration _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Electron_configuration' _Item.ID 565 _Item.Name '_Atom_type.Electron_configuration' _Item.Description ; Electron configuration for the atom ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Atom_type.Unpaired_electron_number _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Unpaired_electron_number' _Item.ID 566 _Item.Name '_Atom_type.Unpaired_electron_number' _Item.Description ; Number of unpaired electrons on the atom ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_type.Atomic_mass _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Atomic_mass' _Item.ID 567 _Item.Name '_Atom_type.Atomic_mass' _Item.Description ; Atom atomic mass ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_type.Van_der_Vaals_radii _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Van_der_Vaals_radii' _Item.ID 568 _Item.Name '_Atom_type.Van_der_Vaals_radii' _Item.Description ; van der Valls radii for the atom ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_type.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Sf_ID' _Item.ID 569 _Item.Name '_Atom_type.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_type.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Entry_ID' _Item.ID 570 _Item.Name '_Atom_type.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_type.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_type.Assembly_ID' _Item.ID 571 _Item.Name '_Atom_type.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 44 _Item.Category_label $Atom_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Atom _Category.Sf_category category_description _Category.Sf_framecode Atom _Category.ID 45 _Category.Name 'Atom' _category.Description ; Items in the atom category provide atom level nomenclature and mappings for polymer and non-polymer components in the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 572 $_Atom.Assembly_atom_ID '_Atom.Assembly_atom_ID' 591 $_Atom.Entry_ID '_Atom.Entry_ID' 592 $_Atom.Assembly_ID '_Atom.Assembly_ID' 45 NMR-STAR stop_ save_ save__Atom.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Assembly_atom_ID' _Item.ID 572 _Item.Name '_Atom.Assembly_atom_ID' _Item.Description ; A value that uniquely identifies the atom from all other atoms in the molecular assembly. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Entity_assembly_ID' _Item.ID 573 _Item.Name '_Atom.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Entity_ID' _Item.ID 574 _Item.Name '_Atom.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Comp_index_ID' _Item.ID 575 _Item.Name '_Atom.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Seq_ID' _Item.ID 576 _Item.Name '_Atom.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Comp_ID' _Item.ID 577 _Item.Name '_Atom.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom.Atom_type_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Atom_type_ID' _Item.ID 578 _Item.Name '_Atom.Atom_type_ID' _Item.Description ; Pointer to '_Atom_type.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Atom_ID' _Item.ID 579 _Item.Name '_Atom.Atom_ID' _Item.Description ; The value of _Atom.Atom_ID must uniquely identify a record in the atom list. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Atom.Type_symbol _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Type_symbol' _Item.ID 580 _Item.Name '_Atom.Type_symbol' _Item.Description ; The code used to identify the atom specie(s) representing this atom type. Normally this code is the element symbol. The code may be composed of any character except an underline with the additional proviso that digits designate an oxidation state and must ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom.PDB_one_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_one_letter_code' _Item.ID 581 _Item.Name '_Atom.PDB_one_letter_code' _Item.Description ; One-letter code used by the PDB for amino acids and nucleic acids. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_strand_ID' _Item.ID 582 _Item.Name '_Atom.PDB_strand_ID' _Item.Description ; PDB strand/chain id. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_ins_code _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_ins_code' _Item.ID 583 _Item.Name '_Atom.PDB_ins_code' _Item.Description ; PDB insertion code. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_asym_ID' _Item.ID 584 _Item.Name '_Atom.PDB_asym_ID' _Item.Description ; Pointer to _Atom_site.PDBX_label_asym_ID'. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_seq_ID' _Item.ID 585 _Item.Name '_Atom.PDB_seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom.PDB_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_comp_ID' _Item.ID 586 _Item.Name '_Atom.PDB_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_group _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_group' _Item.ID 587 _Item.Name '_Atom.PDB_group' _Item.Description ; The group of atoms to which the atom site belongs. This data item is provided for compatibility with the original Protein Data Bank format, and only for that purpose. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_atom_ID' _Item.ID 588 _Item.Name '_Atom.PDB_atom_ID' _Item.Description ; This data item is a pointer to '_Chem_comp_atom.Atom_ID in the chem_comp_atom category. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.PDB_atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Atom.PDB_atom_type' _Item.ID 589 _Item.Name '_Atom.PDB_atom_type' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Sf_ID' _Item.ID 590 _Item.Name '_Atom.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Entry_ID' _Item.ID 591 _Item.Name '_Atom.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom.Assembly_ID' _Item.ID 592 _Item.Name '_Atom.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 45 _Item.Category_label $Atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_bio_function _Category.Sf_category category_description _Category.Sf_framecode Assembly_bio_function _Category.ID 46 _Category.Name 'Assembly_bio_function' _category.Description ; Items in the assembly_bio_function category describe the biological functions carried out by a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 593 $_Assembly_bio_function.Biological_function '_Assembly_bio_function.Biological_function' 595 $_Assembly_bio_function.Entry_ID '_Assembly_bio_function.Entry_ID' 596 $_Assembly_bio_function.Assembly_ID '_Assembly_bio_function.Assembly_ID' 46 NMR-STAR stop_ save_ save__Assembly_bio_function.Biological_function _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_bio_function.Biological_function' _Item.ID 593 _Item.Name '_Assembly_bio_function.Biological_function' _Item.Description ; Very brief description of the biological function of the entity assembly. ; _Item.Category_ID 46 _Item.Category_label $Assembly_bio_function _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Assembly_bio_function.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_bio_function.Sf_ID' _Item.ID 594 _Item.Name '_Assembly_bio_function.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 46 _Item.Category_label $Assembly_bio_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_bio_function.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_bio_function.Entry_ID' _Item.ID 595 _Item.Name '_Assembly_bio_function.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 46 _Item.Category_label $Assembly_bio_function _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_bio_function.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_bio_function.Assembly_ID' _Item.ID 596 _Item.Name '_Assembly_bio_function.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 46 _Item.Category_label $Assembly_bio_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Angle _Category.Sf_category category_description _Category.Sf_framecode Angle _Category.ID 47 _Category.Name 'Angle' _category.Description ; Items in the angle category define a unique identifier for each angle described by three linked atoms in the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 597 $_Angle.ID '_Angle.ID' 630 $_Angle.Entry_ID '_Angle.Entry_ID' 631 $_Angle.Assembly_ID '_Angle.Assembly_ID' 47 NMR-STAR stop_ save_ save__Angle.ID _Item.Sf_category item_description _Item.Sf_framecode '_Angle.ID' _Item.ID 597 _Item.Name '_Angle.ID' _Item.Description ; Unique identifier for the angle that is valid across the full molecular assembly. ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Angle_name _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Angle_name' _Item.ID 598 _Item.Name '_Angle.Angle_name' _Item.Description ; Name for the angle defined as a community recognized standard. ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Angle.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Assembly_atom_ID_1' _Item.ID 599 _Item.Name '_Angle.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Angle.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_assembly_ID_1' _Item.ID 600 _Item.Name '_Angle.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_ID_1' _Item.ID 601 _Item.Name '_Angle.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entity_label_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_label_1' _Item.ID 602 _Item.Name '_Angle.Entity_label_1' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angle.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_ID_1' _Item.ID 603 _Item.Name '_Angle.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Comp_label_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_label_1' _Item.ID 604 _Item.Name '_Angle.Comp_label_1' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angle.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_index_ID_1' _Item.ID 605 _Item.Name '_Angle.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Seq_ID_1' _Item.ID 606 _Item.Name '_Angle.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Atom_ID_1' _Item.ID 607 _Item.Name '_Angle.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Angle.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Atom_type_1' _Item.ID 608 _Item.Name '_Angle.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Assembly_atom_ID_2' _Item.ID 609 _Item.Name '_Angle.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Angle.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_assembly_ID_2' _Item.ID 610 _Item.Name '_Angle.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_ID_2' _Item.ID 611 _Item.Name '_Angle.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entity_label_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_label_2' _Item.ID 612 _Item.Name '_Angle.Entity_label_2' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angle.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_ID_2' _Item.ID 613 _Item.Name '_Angle.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Comp_label_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_label_2' _Item.ID 614 _Item.Name '_Angle.Comp_label_2' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angle.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_index_ID_2' _Item.ID 615 _Item.Name '_Angle.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Seq_ID_2' _Item.ID 616 _Item.Name '_Angle.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Atom_ID_2' _Item.ID 617 _Item.Name '_Angle.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Angle.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Atom_type_2' _Item.ID 618 _Item.Name '_Angle.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Assembly_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Assembly_atom_ID_3' _Item.ID 619 _Item.Name '_Angle.Assembly_atom_ID_3' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Angle.Entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_assembly_ID_3' _Item.ID 620 _Item.Name '_Angle.Entity_assembly_ID_3' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_ID_3' _Item.ID 621 _Item.Name '_Angle.Entity_ID_3' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entity_label_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entity_label_3' _Item.ID 622 _Item.Name '_Angle.Entity_label_3' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angle.Comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_ID_3' _Item.ID 623 _Item.Name '_Angle.Comp_ID_3' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Comp_label_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_label_3' _Item.ID 624 _Item.Name '_Angle.Comp_label_3' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angle.Comp_index_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Comp_index_ID_3' _Item.ID 625 _Item.Name '_Angle.Comp_index_ID_3' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Seq_ID_3' _Item.ID 626 _Item.Name '_Angle.Seq_ID_3' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Atom_ID_3' _Item.ID 627 _Item.Name '_Angle.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Angle.Atom_type_3 _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Atom_type_3' _Item.ID 628 _Item.Name '_Angle.Atom_type_3' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Sf_ID' _Item.ID 629 _Item.Name '_Angle.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angle.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Entry_ID' _Item.ID 630 _Item.Name '_Angle.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angle.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angle.Assembly_ID' _Item.ID 631 _Item.Name '_Angle.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 47 _Item.Category_label $Angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Torsion_angle _Category.Sf_category category_description _Category.Sf_framecode Torsion_angle _Category.ID 48 _Category.Name 'Torsion_angle' _category.Description ; Items in the torsion_angle category define a unique identifier for each torsion angle in the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 632 $_Torsion_angle.ID '_Torsion_angle.ID' 675 $_Torsion_angle.Entry_ID '_Torsion_angle.Entry_ID' 676 $_Torsion_angle.Assembly_ID '_Torsion_angle.Assembly_ID' 48 NMR-STAR stop_ save_ save__Torsion_angle.ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.ID' _Item.ID 632 _Item.Name '_Torsion_angle.ID' _Item.Description ; Unique identifier for the torsion angle that is valid across the full molecular assembly. ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Torsion_angle_name _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Torsion_angle_name' _Item.ID 633 _Item.Name '_Torsion_angle.Torsion_angle_name' _Item.Description ; Name for the torsion angle commonly used in the scientific literature or defined by a recognized organization for standard scientific nomenclature. ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Torsion_angle.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Assembly_atom_ID_1' _Item.ID 634 _Item.Name '_Torsion_angle.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_assembly_ID_1' _Item.ID 635 _Item.Name '_Torsion_angle.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_ID_1' _Item.ID 636 _Item.Name '_Torsion_angle.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_label_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_label_1' _Item.ID 637 _Item.Name '_Torsion_angle.Entity_label_1' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_ID_1' _Item.ID 638 _Item.Name '_Torsion_angle.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Comp_label_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_label_1' _Item.ID 639 _Item.Name '_Torsion_angle.Comp_label_1' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_index_ID_1' _Item.ID 640 _Item.Name '_Torsion_angle.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Seq_ID_1' _Item.ID 641 _Item.Name '_Torsion_angle.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_ID_1' _Item.ID 642 _Item.Name '_Torsion_angle.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_type_1' _Item.ID 643 _Item.Name '_Torsion_angle.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Assembly_atom_ID_2' _Item.ID 644 _Item.Name '_Torsion_angle.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_assembly_ID_2' _Item.ID 645 _Item.Name '_Torsion_angle.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_ID_2' _Item.ID 646 _Item.Name '_Torsion_angle.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_label_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_label_2' _Item.ID 647 _Item.Name '_Torsion_angle.Entity_label_2' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_ID_2' _Item.ID 648 _Item.Name '_Torsion_angle.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Comp_label_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_label_2' _Item.ID 649 _Item.Name '_Torsion_angle.Comp_label_2' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_index_ID_2' _Item.ID 650 _Item.Name '_Torsion_angle.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Seq_ID_2' _Item.ID 651 _Item.Name '_Torsion_angle.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_ID_2' _Item.ID 652 _Item.Name '_Torsion_angle.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_type_2' _Item.ID 653 _Item.Name '_Torsion_angle.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Assembly_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Assembly_atom_ID_3' _Item.ID 654 _Item.Name '_Torsion_angle.Assembly_atom_ID_3' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle.Entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_assembly_ID_3' _Item.ID 655 _Item.Name '_Torsion_angle.Entity_assembly_ID_3' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_ID_3' _Item.ID 656 _Item.Name '_Torsion_angle.Entity_ID_3' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_label_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_label_3' _Item.ID 657 _Item.Name '_Torsion_angle.Entity_label_3' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_ID_3' _Item.ID 658 _Item.Name '_Torsion_angle.Comp_ID_3' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Comp_label_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_label_3' _Item.ID 659 _Item.Name '_Torsion_angle.Comp_label_3' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_index_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_index_ID_3' _Item.ID 660 _Item.Name '_Torsion_angle.Comp_index_ID_3' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Seq_ID_3' _Item.ID 661 _Item.Name '_Torsion_angle.Seq_ID_3' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_ID_3' _Item.ID 662 _Item.Name '_Torsion_angle.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle.Atom_type_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_type_3' _Item.ID 663 _Item.Name '_Torsion_angle.Atom_type_3' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Assembly_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Assembly_atom_ID_4' _Item.ID 664 _Item.Name '_Torsion_angle.Assembly_atom_ID_4' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle.Entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_assembly_ID_4' _Item.ID 665 _Item.Name '_Torsion_angle.Entity_assembly_ID_4' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_ID_4' _Item.ID 666 _Item.Name '_Torsion_angle.Entity_ID_4' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entity_label_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entity_label_4' _Item.ID 667 _Item.Name '_Torsion_angle.Entity_label_4' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_ID_4' _Item.ID 668 _Item.Name '_Torsion_angle.Comp_ID_4' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Comp_label_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_label_4' _Item.ID 669 _Item.Name '_Torsion_angle.Comp_label_4' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle.Comp_index_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Comp_index_ID_4' _Item.ID 670 _Item.Name '_Torsion_angle.Comp_index_ID_4' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Seq_ID_4' _Item.ID 671 _Item.Name '_Torsion_angle.Seq_ID_4' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_ID_4' _Item.ID 672 _Item.Name '_Torsion_angle.Atom_ID_4' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle.Atom_type_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Atom_type_4' _Item.ID 673 _Item.Name '_Torsion_angle.Atom_type_4' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Sf_ID' _Item.ID 674 _Item.Name '_Torsion_angle.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Entry_ID' _Item.ID 675 _Item.Name '_Torsion_angle.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle.Assembly_ID' _Item.ID 676 _Item.Name '_Torsion_angle.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 48 _Item.Category_label $Torsion_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_segment _Category.Sf_category category_description _Category.Sf_framecode Assembly_segment _Category.ID 49 _Category.Name 'Assembly_segment' _category.Description ; Items in the assembly_segment category define at levels from atom to chemical component subsets of the assembly. The subsets may be but are not limited to contiguous atoms or components of the assembly. As an example, the active site of a molecular assembly could be defined as a segment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 677 $_Assembly_segment.ID '_Assembly_segment.ID' 688 $_Assembly_segment.Entry_ID '_Assembly_segment.Entry_ID' 689 $_Assembly_segment.Assembly_ID '_Assembly_segment.Assembly_ID' 49 NMR-STAR stop_ save_ save__Assembly_segment.ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.ID' _Item.ID 677 _Item.Name '_Assembly_segment.ID' _Item.Description ; Integer value that uniquely defines the segment of the molecular assembly described. This tag is not the primary key for this table. ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly_segment.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Entity_assembly_ID' _Item.ID 678 _Item.Name '_Assembly_segment.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Entity_ID' _Item.ID 679 _Item.Name '_Assembly_segment.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Entity_label' _Item.ID 680 _Item.Name '_Assembly_segment.Entity_label' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Assembly_segment.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Comp_index_ID' _Item.ID 681 _Item.Name '_Assembly_segment.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Comp_ID' _Item.ID 682 _Item.Name '_Assembly_segment.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_segment.Comp_label _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Comp_label' _Item.ID 683 _Item.Name '_Assembly_segment.Comp_label' _Item.Description ; Pointer to a save frame of the category 'chem_comp' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Assembly_segment.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Seq_ID' _Item.ID 684 _Item.Name '_Assembly_segment.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Atom_ID' _Item.ID 685 _Item.Name '_Assembly_segment.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Assembly_segment.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Assembly_atom_ID' _Item.ID 686 _Item.Name '_Assembly_segment.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Sf_ID' _Item.ID 687 _Item.Name '_Assembly_segment.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Entry_ID' _Item.ID 688 _Item.Name '_Assembly_segment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_segment.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment.Assembly_ID' _Item.ID 689 _Item.Name '_Assembly_segment.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 49 _Item.Category_label $Assembly_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_segment_description _Category.Sf_category category_description _Category.Sf_framecode Assembly_segment_description _Category.ID 50 _Category.Name 'Assembly_segment_description' _category.Description ; Items in the assembly_segment_description category provide a description of an assembly segment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 690 $_Assembly_segment_description.Assembly_segment_ID '_Assembly_segment_description.Assembly_segment_ID' 694 $_Assembly_segment_description.Entry_ID '_Assembly_segment_description.Entry_ID' 695 $_Assembly_segment_description.Assembly_ID '_Assembly_segment_description.Assembly_ID' 50 NMR-STAR stop_ save_ save__Assembly_segment_description.Assembly_segment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment_description.Assembly_segment_ID' _Item.ID 690 _Item.Name '_Assembly_segment_description.Assembly_segment_ID' _Item.Description ; Pointer to '_Assembly_segment.ID' ; _Item.Category_ID 50 _Item.Category_label $Assembly_segment_description _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment_description.Code _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment_description.Code' _Item.ID 691 _Item.Name '_Assembly_segment_description.Code' _Item.Description ; Code that defines the type of assembly segment. ; _Item.Category_ID 50 _Item.Category_label $Assembly_segment_description _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_segment_description.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment_description.Details' _Item.ID 692 _Item.Name '_Assembly_segment_description.Details' _Item.Description ; Text providing additional information about the assembly segment. ; _Item.Category_ID 50 _Item.Category_label $Assembly_segment_description _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assembly_segment_description.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment_description.Sf_ID' _Item.ID 693 _Item.Name '_Assembly_segment_description.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 50 _Item.Category_label $Assembly_segment_description _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_segment_description.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment_description.Entry_ID' _Item.ID 694 _Item.Name '_Assembly_segment_description.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 50 _Item.Category_label $Assembly_segment_description _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_segment_description.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_segment_description.Assembly_ID' _Item.ID 695 _Item.Name '_Assembly_segment_description.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 50 _Item.Category_label $Assembly_segment_description _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_keyword _Category.Sf_category category_description _Category.Sf_framecode Assembly_keyword _Category.ID 51 _Category.Name 'Assembly_keyword' _category.Description ; Items in the assembly_keyword category provide keywords describing the molecular system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 696 $_Assembly_keyword.Keyword '_Assembly_keyword.Keyword' 698 $_Assembly_keyword.Entry_ID '_Assembly_keyword.Entry_ID' 699 $_Assembly_keyword.Assembly_ID '_Assembly_keyword.Assembly_ID' 51 NMR-STAR stop_ save_ save__Assembly_keyword.Keyword _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_keyword.Keyword' _Item.ID 696 _Item.Name '_Assembly_keyword.Keyword' _Item.Description ; A word or very brief phrase that provide a concise description of the entity assembly. ; _Item.Category_ID 51 _Item.Category_label $Assembly_keyword _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Assembly_keyword.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_keyword.Sf_ID' _Item.ID 697 _Item.Name '_Assembly_keyword.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 51 _Item.Category_label $Assembly_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_keyword.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_keyword.Entry_ID' _Item.ID 698 _Item.Name '_Assembly_keyword.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 51 _Item.Category_label $Assembly_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_keyword.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_keyword.Assembly_ID' _Item.ID 699 _Item.Name '_Assembly_keyword.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 51 _Item.Category_label $Assembly_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_citation _Category.Sf_category category_description _Category.Sf_framecode Assembly_citation _Category.ID 52 _Category.Name 'Assembly_citation' _category.Description ; Items in the assembly_citation category provide a pointer to a citation where the molecular assembly is described. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 9 _Category.Category_group_name assembly _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 700 $_Assembly_citation.Citation_ID '_Assembly_citation.Citation_ID' 703 $_Assembly_citation.Entry_ID '_Assembly_citation.Entry_ID' 704 $_Assembly_citation.Assembly_ID '_Assembly_citation.Assembly_ID' 52 NMR-STAR stop_ save_ save__Assembly_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_citation.Citation_ID' _Item.ID 700 _Item.Name '_Assembly_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 52 _Item.Category_label $Assembly_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_citation.Citation_label' _Item.ID 701 _Item.Name '_Assembly_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 52 _Item.Category_label $Assembly_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Assembly_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_citation.Sf_ID' _Item.ID 702 _Item.Name '_Assembly_citation.Sf_ID' _Item.Description ; Pointer to '_Assembly.Sf_ID' ; _Item.Category_ID 52 _Item.Category_label $Assembly_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assembly_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_citation.Entry_ID' _Item.ID 703 _Item.Name '_Assembly_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 52 _Item.Category_label $Assembly_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_citation.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_citation.Assembly_ID' _Item.ID 704 _Item.Name '_Assembly_citation.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 52 _Item.Category_label $Assembly_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_annotation_list _Category.Sf_category category_description _Category.Sf_framecode Assembly_annotation_list _Category.ID 53 _Category.Name 'Assembly_annotation_list' _category.Description ; Items in the assembly_annotation list category provide details about the author provided annoations describing the molecular assembly studied. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 10 _Category.Category_group_name assembly_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 707 $_Assembly_annotation_list.Entry_ID '_Assembly_annotation_list.Entry_ID' 709 $_Assembly_annotation_list.ID '_Assembly_annotation_list.ID' 53 NMR-STAR stop_ save_ save__Assembly_annotation_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.Sf_category' _Item.ID 705 _Item.Name '_Assembly_annotation_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_annotation_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.Sf_framecode' _Item.ID 706 _Item.Name '_Assembly_annotation_list.Sf_framecode' _Item.Description ; The framecode for the save frame where author defined annotations for the molecular assembly studied are provided. ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Assembly_annotation_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.Entry_ID' _Item.ID 707 _Item.Name '_Assembly_annotation_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_annotation_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.Sf_ID' _Item.ID 708 _Item.Name '_Assembly_annotation_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly_annotation_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.ID' _Item.ID 709 _Item.Name '_Assembly_annotation_list.ID' _Item.Description ; An integer value that uniquely defines the assembly annotation save frame from other assembly annotation save frames in the entry. ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly_annotation_list.Source _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.Source' _Item.ID 710 _Item.Name '_Assembly_annotation_list.Source' _Item.Description ; Code defining the source of the annotation provided. ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Assembly_annotation_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_annotation_list.Details' _Item.ID 711 _Item.Name '_Assembly_annotation_list.Details' _Item.Description ; Text providing additional information regarding the annotation provided for the assembly and/or its subsystems. ; _Item.Category_ID 53 _Item.Category_label $Assembly_annotation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Author_annotation _Category.Sf_category category_description _Category.Sf_framecode Author_annotation _Category.ID 54 _Category.Name 'Author_annotation' _category.Description ; Items in the assembly_annotation category define the author supplied annotations that describe the molecular assembly studied. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 10 _Category.Category_group_name assembly_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 712 $_Author_annotation.ID '_Author_annotation.ID' 728 $_Author_annotation.Entry_ID '_Author_annotation.Entry_ID' 729 $_Author_annotation.Assembly_annotation_list_ID '_Author_annotation.Assembly_annotation_list_ID' 54 NMR-STAR stop_ save_ save__Author_annotation.ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.ID' _Item.ID 712 _Item.Name '_Author_annotation.ID' _Item.Description ; An integer value that uniquely identifies the author provided annotation. ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Assembly_ID' _Item.ID 713 _Item.Name '_Author_annotation.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Assembly_subsystem_ID' _Item.ID 714 _Item.Name '_Author_annotation.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Author_annotation.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Entity_assembly_ID' _Item.ID 715 _Item.Name '_Author_annotation.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Entity_ID' _Item.ID 716 _Item.Name '_Author_annotation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Comp_index_ID' _Item.ID 717 _Item.Name '_Author_annotation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Comp_index_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Comp_index_ID_start' _Item.ID 718 _Item.Name '_Author_annotation.Comp_index_ID_start' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Comp_index_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Comp_index_ID_end' _Item.ID 719 _Item.Name '_Author_annotation.Comp_index_ID_end' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Seq_ID' _Item.ID 720 _Item.Name '_Author_annotation.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Seq_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Seq_ID_start' _Item.ID 721 _Item.Name '_Author_annotation.Seq_ID_start' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Author_annotation.Seq_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Seq_ID_end' _Item.ID 722 _Item.Name '_Author_annotation.Seq_ID_end' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Author_annotation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Comp_ID' _Item.ID 723 _Item.Name '_Author_annotation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Author_annotation.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Atom_ID' _Item.ID 724 _Item.Name '_Author_annotation.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Author_annotation.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Assembly_atom_ID' _Item.ID 725 _Item.Name '_Author_annotation.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Author_annotation.Annotation_code _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Annotation_code' _Item.ID 726 _Item.Name '_Author_annotation.Annotation_code' _Item.Description ; A code that describes the kind of annotation provided. ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Author_annotation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Sf_ID' _Item.ID 727 _Item.Name '_Author_annotation.Sf_ID' _Item.Description ; Pointer to '_Assembly_annotation_list.Sf_ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Author_annotation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Entry_ID' _Item.ID 728 _Item.Name '_Author_annotation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Author_annotation.Assembly_annotation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Author_annotation.Assembly_annotation_list_ID' _Item.ID 729 _Item.Name '_Author_annotation.Assembly_annotation_list_ID' _Item.Description ; Pointer to '_Assembly_annotation_list.ID' ; _Item.Category_ID 54 _Item.Category_label $Author_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assembly_subsystem _Category.Sf_category category_description _Category.Sf_framecode Assembly_subsystem _Category.ID 55 _Category.Name 'Assembly_subsystem' _category.Description ; Items in the assembly_subsystem category describe the molecule(s) in an assembly that together make up a subset that has structural or functional significance. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 732 $_Assembly_subsystem.Entry_ID '_Assembly_subsystem.Entry_ID' 734 $_Assembly_subsystem.ID '_Assembly_subsystem.ID' 55 NMR-STAR stop_ save_ save__Assembly_subsystem.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Sf_category' _Item.ID 730 _Item.Name '_Assembly_subsystem.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_subsystem.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Sf_framecode' _Item.ID 731 _Item.Name '_Assembly_subsystem.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this molecular subsystem from all other subsystems of the molecular assembly studied. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Assembly_subsystem.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Entry_ID' _Item.ID 732 _Item.Name '_Assembly_subsystem.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assembly_subsystem.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Sf_ID' _Item.ID 733 _Item.Name '_Assembly_subsystem.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly_subsystem.ID _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.ID' _Item.ID 734 _Item.Name '_Assembly_subsystem.ID' _Item.Description ; An integer value that uniquely defines the subsystem of the molecular assembly described. An assembly subsystem contains a subset of the components of the full molecular assembly, but does not consist of fragments of the molecular assembly components. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assembly_subsystem.Name _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Name' _Item.ID 735 _Item.Name '_Assembly_subsystem.Name' _Item.Description ; Author supplied name for the assembly subsystem. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Assembly_subsystem.CAS_name _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.CAS_name' _Item.ID 736 _Item.Name '_Assembly_subsystem.CAS_name' _Item.Description ; Chemical Abstract Services name that applies to the assembly subsystem. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_subsystem.CAS_registry_number _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.CAS_registry_number' _Item.ID 737 _Item.Name '_Assembly_subsystem.CAS_registry_number' _Item.Description ; Chemical Abstract Services registry number that applies to the assembly subsystem. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_subsystem.Enzyme_commission_number _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Enzyme_commission_number' _Item.ID 738 _Item.Name '_Assembly_subsystem.Enzyme_commission_number' _Item.Description ; Identification number defined by the Enzyme Commission for the protein molecular system, or biological molecular system described in the save frame. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assembly_subsystem.Molecular_mass _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Molecular_mass' _Item.ID 739 _Item.Name '_Assembly_subsystem.Molecular_mass' _Item.Description ; The approximate mass of the system as defined by the authors and is intended to approximate the sum of the masses of all of the atoms in the system. No attempt is made to define the mass at a specific pH value, in terms of the protonation state of any ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assembly_subsystem.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.Details' _Item.ID 740 _Item.Name '_Assembly_subsystem.Details' _Item.Description ; Additional information relevant to the data in the current save frame or to a specific data item is entered as a value to this tag. The information entered must supplement information already present. Whenever possible data should associated with specif ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assembly_subsystem.DB_query_date _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.DB_query_date' _Item.ID 741 _Item.Name '_Assembly_subsystem.DB_query_date' _Item.Description ; Date that the last query has been conducted to locate entries in external databases that are related to the assembly subsystem. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Assembly_subsystem.DB_last_query_revised_last_date _Item.Sf_category item_description _Item.Sf_framecode '_Assembly_subsystem.DB_last_query_revised_last_date' _Item.ID 742 _Item.Name '_Assembly_subsystem.DB_last_query_revised_last_date' _Item.Description ; Date that this table was updated with links to external databases. ; _Item.Category_ID 55 _Item.Category_label $Assembly_subsystem _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save_Subsystem_common_name _Category.Sf_category category_description _Category.Sf_framecode Subsystem_common_name _Category.ID 56 _Category.Name 'Subsystem_common_name' _category.Description ; Items in the subsystem_common_name category define the name(s) provided by the author or found in the literature for a defined subsystem of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 743 $_Subsystem_common_name.Name '_Subsystem_common_name.Name' 745 $_Subsystem_common_name.Entry_ID '_Subsystem_common_name.Entry_ID' 746 $_Subsystem_common_name.Assembly_subsystem_ID '_Subsystem_common_name.Assembly_subsystem_ID' 56 NMR-STAR stop_ save_ save__Subsystem_common_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_common_name.Name' _Item.ID 743 _Item.Name '_Subsystem_common_name.Name' _Item.Description ; A name commonly used in the literature to refer to this assembly subsystem. ; _Item.Category_ID 56 _Item.Category_label $Subsystem_common_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Subsystem_common_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_common_name.Sf_ID' _Item.ID 744 _Item.Name '_Subsystem_common_name.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 56 _Item.Category_label $Subsystem_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_common_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_common_name.Entry_ID' _Item.ID 745 _Item.Name '_Subsystem_common_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 56 _Item.Category_label $Subsystem_common_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_common_name.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_common_name.Assembly_subsystem_ID' _Item.ID 746 _Item.Name '_Subsystem_common_name.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 56 _Item.Category_label $Subsystem_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Subsystem_type _Category.Sf_category category_description _Category.Sf_framecode Subsystem_type _Category.ID 57 _Category.Name 'Subsystem_type' _category.Description ; Items in the subsystem_type category define the type(s) of the subsystem. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 747 $_Subsystem_type.Type '_Subsystem_type.Type' 749 $_Subsystem_type.Entry_ID '_Subsystem_type.Entry_ID' 750 $_Subsystem_type.Assembly_subsystem_ID '_Subsystem_type.Assembly_subsystem_ID' 57 NMR-STAR stop_ save_ save__Subsystem_type.Type _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_type.Type' _Item.ID 747 _Item.Name '_Subsystem_type.Type' _Item.Description ; A code that defines the general type or kind of assembly subsystem. ; _Item.Category_ID 57 _Item.Category_label $Subsystem_type _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Subsystem_type.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_type.Sf_ID' _Item.ID 748 _Item.Name '_Subsystem_type.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 57 _Item.Category_label $Subsystem_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_type.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_type.Entry_ID' _Item.ID 749 _Item.Name '_Subsystem_type.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 57 _Item.Category_label $Subsystem_type _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_type.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_type.Assembly_subsystem_ID' _Item.ID 750 _Item.Name '_Subsystem_type.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 57 _Item.Category_label $Subsystem_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Subsystem_component _Category.Sf_category category_description _Category.Sf_framecode Subsystem_component _Category.ID 58 _Category.Name 'Subsystem_component' _category.Description ; Items in the subsystem_component define the elements of the full molecular assembly that are members of the subsystem. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 751 $_Subsystem_component.Entity_assembly_ID '_Subsystem_component.Entity_assembly_ID' 755 $_Subsystem_component.Entry_ID '_Subsystem_component.Entry_ID' 756 $_Subsystem_component.Assembly_subsystem_ID '_Subsystem_component.Assembly_subsystem_ID' 58 NMR-STAR stop_ save_ save__Subsystem_component.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_component.Entity_assembly_ID' _Item.ID 751 _Item.Name '_Subsystem_component.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 58 _Item.Category_label $Subsystem_component _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_component.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_component.Entity_ID' _Item.ID 752 _Item.Name '_Subsystem_component.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 58 _Item.Category_label $Subsystem_component _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_component.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_component.Entity_label' _Item.ID 753 _Item.Name '_Subsystem_component.Entity_label' _Item.Description ; Pointer to a save frame of the category entity. ; _Item.Category_ID 58 _Item.Category_label $Subsystem_component _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Subsystem_component.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_component.Sf_ID' _Item.ID 754 _Item.Name '_Subsystem_component.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 58 _Item.Category_label $Subsystem_component _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_component.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_component.Entry_ID' _Item.ID 755 _Item.Name '_Subsystem_component.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 58 _Item.Category_label $Subsystem_component _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_component.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_component.Assembly_subsystem_ID' _Item.ID 756 _Item.Name '_Subsystem_component.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 58 _Item.Category_label $Subsystem_component _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Subsystem_keyword _Category.Sf_category category_description _Category.Sf_framecode Subsystem_keyword _Category.ID 59 _Category.Name 'Subsystem_keyword' _category.Description ; Items in the subsystem_keyword category define keywords that describe a subsystem of the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 757 $_Subsystem_keyword.Keyword '_Subsystem_keyword.Keyword' 759 $_Subsystem_keyword.Entry_ID '_Subsystem_keyword.Entry_ID' 760 $_Subsystem_keyword.Assembly_subsystem_ID '_Subsystem_keyword.Assembly_subsystem_ID' 59 NMR-STAR stop_ save_ save__Subsystem_keyword.Keyword _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_keyword.Keyword' _Item.ID 757 _Item.Name '_Subsystem_keyword.Keyword' _Item.Description ; A keyword that describes the assembly subsystem. ; _Item.Category_ID 59 _Item.Category_label $Subsystem_keyword _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Subsystem_keyword.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_keyword.Sf_ID' _Item.ID 758 _Item.Name '_Subsystem_keyword.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 59 _Item.Category_label $Subsystem_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_keyword.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_keyword.Entry_ID' _Item.ID 759 _Item.Name '_Subsystem_keyword.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 59 _Item.Category_label $Subsystem_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_keyword.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_keyword.Assembly_subsystem_ID' _Item.ID 760 _Item.Name '_Subsystem_keyword.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 59 _Item.Category_label $Subsystem_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Subsystem_biological_function _Category.Sf_category category_description _Category.Sf_framecode Subsystem_biological_function _Category.ID 60 _Category.Name 'Subsystem_biological_function' _category.Description ; Items in the subsystem_biological_function category define the biological functions that the subsystem of the molecular assembly carry out. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 761 $_Subsystem_biological_function.Biological_function '_Subsystem_biological_function.Biological_function' 763 $_Subsystem_biological_function.Entry_ID '_Subsystem_biological_function.Entry_ID' 764 $_Subsystem_biological_function.Assembly_subsystem_ID '_Subsystem_biological_function.Assembly_subsystem_ID' 60 NMR-STAR stop_ save_ save__Subsystem_biological_function.Biological_function _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_biological_function.Biological_function' _Item.ID 761 _Item.Name '_Subsystem_biological_function.Biological_function' _Item.Description ; A word or very brief phrase that defines a biological function that the assembly subsystem carries out. ; _Item.Category_ID 60 _Item.Category_label $Subsystem_biological_function _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Subsystem_biological_function.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_biological_function.Sf_ID' _Item.ID 762 _Item.Name '_Subsystem_biological_function.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 60 _Item.Category_label $Subsystem_biological_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_biological_function.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_biological_function.Entry_ID' _Item.ID 763 _Item.Name '_Subsystem_biological_function.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 60 _Item.Category_label $Subsystem_biological_function _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_biological_function.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_biological_function.Assembly_subsystem_ID' _Item.ID 764 _Item.Name '_Subsystem_biological_function.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 60 _Item.Category_label $Subsystem_biological_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Subsystem_db_link _Category.Sf_category category_description _Category.Sf_framecode Subsystem_db_link _Category.ID 61 _Category.Name 'Subsystem_db_link' _category.Description ; Items in the subsystem_db_link category define databases and the entries in the databases that are related to the subsystem of the molecular assembly. ; _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 766 $_Subsystem_db_link.Database_code '_Subsystem_db_link.Database_code' 767 $_Subsystem_db_link.Accession_code '_Subsystem_db_link.Accession_code' 774 $_Subsystem_db_link.Entry_ID '_Subsystem_db_link.Entry_ID' 775 $_Subsystem_db_link.Assembly_subsystem_ID '_Subsystem_db_link.Assembly_subsystem_ID' 61 NMR-STAR stop_ save_ save__Subsystem_db_link.Author_supplied _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Author_supplied' _Item.ID 765 _Item.Name '_Subsystem_db_link.Author_supplied' _Item.Description ; Boolean code that defines if the link to a database was provided by the author (yes) or from another source (no). ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Subsystem_db_link.Database_code _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Database_code' _Item.ID 766 _Item.Name '_Subsystem_db_link.Database_code' _Item.Description ; Abbreviation for the database ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Subsystem_db_link.Accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Accession_code' _Item.ID 767 _Item.Name '_Subsystem_db_link.Accession_code' _Item.Description ; Accession code for the entry in the database. ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Subsystem_db_link.Entry_mol_code _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Entry_mol_code' _Item.ID 768 _Item.Name '_Subsystem_db_link.Entry_mol_code' _Item.Description ; Code assigned by the database to the molecule in the database entry. ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Subsystem_db_link.Entry_mol_name _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Entry_mol_name' _Item.ID 769 _Item.Name '_Subsystem_db_link.Entry_mol_name' _Item.Description ; Name of the molecular assembly in the database entry. ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Subsystem_db_link.Entry_experimental_method _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Entry_experimental_method' _Item.ID 770 _Item.Name '_Subsystem_db_link.Entry_experimental_method' _Item.Description ; Experimental method used to generate the data in the database entry. ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Subsystem_db_link.Entry_relation_type _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Entry_relation_type' _Item.ID 771 _Item.Name '_Subsystem_db_link.Entry_relation_type' _Item.Description ; Relationship between the database entry and this BMRB entry. ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Subsystem_db_link.Entry_details _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Entry_details' _Item.ID 772 _Item.Name '_Subsystem_db_link.Entry_details' _Item.Description ; Any text information relevant to the database entry. ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Subsystem_db_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Sf_ID' _Item.ID 773 _Item.Name '_Subsystem_db_link.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_db_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Entry_ID' _Item.ID 774 _Item.Name '_Subsystem_db_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_db_link.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_db_link.Assembly_subsystem_ID' _Item.ID 775 _Item.Name '_Subsystem_db_link.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 61 _Item.Category_label $Subsystem_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Subsystem_citation _Category.Sf_category category_description _Category.Sf_framecode Subsystem_citation _Category.ID 62 _Category.Name 'Subsystem_citation' _category.Description ; Items in the subsystem_citation category define the pointers to citations provided in the entry that describe the subsystem of the molecular assembly or other relevant information. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 11 _Category.Category_group_name assembly_subsystems _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 776 $_Subsystem_citation.Citation_ID '_Subsystem_citation.Citation_ID' 779 $_Subsystem_citation.Entry_ID '_Subsystem_citation.Entry_ID' 780 $_Subsystem_citation.Assembly_subsystem_ID '_Subsystem_citation.Assembly_subsystem_ID' 62 NMR-STAR stop_ save_ save__Subsystem_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_citation.Citation_ID' _Item.ID 776 _Item.Name '_Subsystem_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 62 _Item.Category_label $Subsystem_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_citation.Citation_label' _Item.ID 777 _Item.Name '_Subsystem_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 62 _Item.Category_label $Subsystem_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Subsystem_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_citation.Sf_ID' _Item.ID 778 _Item.Name '_Subsystem_citation.Sf_ID' _Item.Description ; Pointer to '_Assembly_subsystem.Sf_ID' ; _Item.Category_ID 62 _Item.Category_label $Subsystem_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Subsystem_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_citation.Entry_ID' _Item.ID 779 _Item.Name '_Subsystem_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 62 _Item.Category_label $Subsystem_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Subsystem_citation.Assembly_subsystem_ID _Item.Sf_category item_description _Item.Sf_framecode '_Subsystem_citation.Assembly_subsystem_ID' _Item.ID 780 _Item.Name '_Subsystem_citation.Assembly_subsystem_ID' _Item.Description ; Pointer to '_Assembly_subsystem.ID' ; _Item.Category_ID 62 _Item.Category_label $Subsystem_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity _Category.Sf_category category_description _Category.Sf_framecode Entity _Category.ID 63 _Category.Name 'Entity' _category.Description ; Items in the entity category describe the characteristics of a molecular entity (protein, nucleic acid, polycarbohydrate, cofactor, ligand, inhibitor, etc.) ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 783 $_Entity.Entry_ID '_Entity.Entry_ID' 785 $_Entity.ID '_Entity.ID' 63 NMR-STAR stop_ save_ save__Entity.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Sf_category' _Item.ID 781 _Item.Name '_Entity.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Sf_framecode' _Item.ID 782 _Item.Name '_Entity.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this entity from all other chemically unique entities in the molecular assembly studied. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Entry_ID' _Item.ID 783 _Item.Name '_Entity.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Sf_ID' _Item.ID 784 _Item.Name '_Entity.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity.ID' _Item.ID 785 _Item.Name '_Entity.ID' _Item.Description ; An integer value that is the unique identifier for the entity within the entry. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity.BMRB_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity.BMRB_code' _Item.ID 786 _Item.Name '_Entity.BMRB_code' _Item.Description ; A code for the entity that uniquely identifies the entity within a library of entities maintained at BMRB. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity.Name _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Name' _Item.ID 787 _Item.Name '_Entity.Name' _Item.Description ; A brief name commonly used for the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity.Type _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Type' _Item.ID 788 _Item.Name '_Entity.Type' _Item.Description ; Entities are of two types: polymer or non-polymer. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity.Type' polymer 'A biological polymer (protein, peptide, nucleic acid, etc.)' 788 63 NMR-STAR '_Entity.Type' non-polymer 'Ligand, metal ion, or other non-polymeric molecule' 788 63 NMR-STAR '_Entity.Type' water ? 788 63 NMR-STAR '_Entity.Type' aggregate ? 788 63 NMR-STAR '_Entity.Type' solvent ? 788 63 NMR-STAR stop_ save_ save__Entity.Polymer_common_type _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_common_type' _Item.ID 789 _Item.Name '_Entity.Polymer_common_type' _Item.Description ; A code that indicates the common type of polymer to which the entity belongs. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity.Polymer_common_type' protein ? 789 63 NMR-STAR '_Entity.Polymer_common_type' DNA ? 789 63 NMR-STAR '_Entity.Polymer_common_type' RNA ? 789 63 NMR-STAR '_Entity.Polymer_common_type' 'DNA/RNA hybrid' ? 789 63 NMR-STAR '_Entity.Polymer_common_type' polysaccharide ? 789 63 NMR-STAR stop_ save_ save__Entity.Polymer_type _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_type' _Item.ID 790 _Item.Name '_Entity.Polymer_type' _Item.Description ; Entity polymer types include protein, DNA, RNA, DNA/RNA hybrids, and carbohydrates. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity.Polymer_type' polypeptide(L) L-protein 790 63 NMR-STAR '_Entity.Polymer_type' polydeoxyribonucleotide DNA 790 63 NMR-STAR '_Entity.Polymer_type' polyribonucleotide RNA 790 63 NMR-STAR '_Entity.Polymer_type' 'polydeoxyribonucleotide/polyribonucleotide hybrid' ? 790 63 NMR-STAR '_Entity.Polymer_type' polypeptide(D) ? 790 63 NMR-STAR '_Entity.Polymer_type' polysaccharide(D) ? 790 63 NMR-STAR '_Entity.Polymer_type' polysaccharide(L) ? 790 63 NMR-STAR '_Entity.Polymer_type' cyclic-pseudo-peptide ? 790 63 NMR-STAR '_Entity.Polymer_type' other ? 790 63 NMR-STAR stop_ save_ save__Entity.Polymer_type_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_type_details' _Item.ID 791 _Item.Name '_Entity.Polymer_type_details' _Item.Description ; Additional information about the polymer type. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.Polymer_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_strand_ID' _Item.ID 792 _Item.Name '_Entity.Polymer_strand_ID' _Item.Description ; The PDB strand/chain id(s) corresponding to this polymer entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity.Polymer_seq_one_letter_code_can _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_seq_one_letter_code_can' _Item.ID 793 _Item.Name '_Entity.Polymer_seq_one_letter_code_can' _Item.Description ; The sequence of a polymer entity expressed using only the standard one-letter code for chemical components. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.Polymer_seq_one_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_seq_one_letter_code' _Item.ID 794 _Item.Name '_Entity.Polymer_seq_one_letter_code' _Item.Description ; The sequence of a polymer entity expressed using the one-letter code for standard residues and an X for non-standard residues. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.Target_identifier _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Target_identifier' _Item.ID 795 _Item.Name '_Entity.Target_identifier' _Item.Description ; The TargetDB ID for the protein in the molecular system studied. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity.Polymer_author_defined_seq _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_author_defined_seq' _Item.ID 796 _Item.Name '_Entity.Polymer_author_defined_seq' _Item.Description ; The author may provide a numbering scheme for a biopolymer that is different from that defined by the public databases. This scheme may contain non-sequential numbering and the use of alphabetic characters. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.Polymer_author_seq_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Polymer_author_seq_details' _Item.ID 797 _Item.Name '_Entity.Polymer_author_seq_details' _Item.Description ; A text description of the sequence for this entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.Ambiguous_conformational_states _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Ambiguous_conformational_states' _Item.ID 798 _Item.Name '_Entity.Ambiguous_conformational_states' _Item.Description ; A boolean flag to indicate the presence of multiple conformational states for the entity that have not been clearly defined. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity.Ambiguous_chem_comp_sites _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Ambiguous_chem_comp_sites' _Item.ID 799 _Item.Name '_Entity.Ambiguous_chem_comp_sites' _Item.Description ; A boolean flag that indicates the presence or absence of multiple conformational states for specific chemical components of the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity.Nstd_monomer _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Nstd_monomer' _Item.ID 800 _Item.Name '_Entity.Nstd_monomer' _Item.Description ; A boolean flag that indicates the presence (No) or absence (Yes) of non-standard chemical components in the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity.Nstd_chirality _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Nstd_chirality' _Item.ID 801 _Item.Name '_Entity.Nstd_chirality' _Item.Description ; A boolean flag that indicates the presence or absence of non-standard chiral atoms in the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity.Nstd_linkage _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Nstd_linkage' _Item.ID 802 _Item.Name '_Entity.Nstd_linkage' _Item.Description ; A flag indicating the presence or absence of non-standard linkages between monomers in the biopolymer. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity.Nonpolymer_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Nonpolymer_comp_ID' _Item.ID 803 _Item.Name '_Entity.Nonpolymer_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity.Nonpolymer_comp_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Nonpolymer_comp_label' _Item.ID 804 _Item.Name '_Entity.Nonpolymer_comp_label' _Item.Description ; Pointer to a save frame of the category chem_comp. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entity.Number_of_monomers _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Number_of_monomers' _Item.ID 805 _Item.Name '_Entity.Number_of_monomers' _Item.Description ; The number of chemical components that make up a polymer entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity.Number_of_nonpolymer_components _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Number_of_nonpolymer_components' _Item.ID 806 _Item.Name '_Entity.Number_of_nonpolymer_components' _Item.Description ; Non-polymer compounds like ATP or NAD may be comprised of more than one chemical component. If you want to describe each of the components in the non-polymer enter the number of components that exist in the non-polymer entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'int' _Item.Default_value '?' save_ save__Entity.Paramagnetic _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Paramagnetic' _Item.ID 807 _Item.Name '_Entity.Paramagnetic' _Item.Description ; A boolean flag that indicates the paramagnetic state of the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entity.Thiol_state _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Thiol_state' _Item.ID 808 _Item.Name '_Entity.Thiol_state' _Item.Description ; A keyword that describes the state of the thiol groups in the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity.Thiol_state' 'all disulfide bound' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'all other bound' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'all free' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'not present' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'not available' ? 808 63 NMR-STAR '_Entity.Thiol_state' unknown ? 808 63 NMR-STAR '_Entity.Thiol_state' 'not reported' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'free and disulfide bound' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'free and other bound' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'free disulfide and other bound' ? 808 63 NMR-STAR '_Entity.Thiol_state' 'disulfide and other bound' ? 808 63 NMR-STAR stop_ save_ save__Entity.Src_method _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Src_method' _Item.ID 809 _Item.Name '_Entity.Src_method' _Item.Description ; The method by which the sample for the entity was produced. Entities isolated directly from natural sources (tissues, soil samples, etc.) are expected to have further information in the entity natural source category. Entities isolated from genetically ma ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity.Parent_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Parent_entity_ID' _Item.ID 810 _Item.Name '_Entity.Parent_entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity.Fragment _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Fragment' _Item.ID 811 _Item.Name '_Entity.Fragment' _Item.Description ; Entity fragment description(s). ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.Mutation _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Mutation' _Item.ID 812 _Item.Name '_Entity.Mutation' _Item.Description ; Details about any entity mutation(s). ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.EC_number _Item.Sf_category item_description _Item.Sf_framecode '_Entity.EC_number' _Item.ID 813 _Item.Name '_Entity.EC_number' _Item.Description ; Enzyme Commission number ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity.Calc_isoelectric_point _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Calc_isoelectric_point' _Item.ID 814 _Item.Name '_Entity.Calc_isoelectric_point' _Item.Description ; The theoretical isoelectric point for the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity.Formula_weight _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Formula_weight' _Item.ID 815 _Item.Name '_Entity.Formula_weight' _Item.Description ; Formula mass in daltons of the entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity.Formula_weight_exptl _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Formula_weight_exptl' _Item.ID 816 _Item.Name '_Entity.Formula_weight_exptl' _Item.Description ; Experimentally determined formula weight for the molecular entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity.Formula_weight_exptl_meth _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Formula_weight_exptl_meth' _Item.ID 817 _Item.Name '_Entity.Formula_weight_exptl_meth' _Item.Description ; Method used to experimentally determine the formula weight for the molecular entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity.Details' _Item.ID 818 _Item.Name '_Entity.Details' _Item.Description ; Text providing additional details regarding this entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity.DB_query_date _Item.Sf_category item_description _Item.Sf_framecode '_Entity.DB_query_date' _Item.ID 819 _Item.Name '_Entity.DB_query_date' _Item.Description ; Last date that a query was conducted to locate entries in databases that are related to this molecular entity. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Entity.DB_query_revised_last_date _Item.Sf_category item_description _Item.Sf_framecode '_Entity.DB_query_revised_last_date' _Item.ID 820 _Item.Name '_Entity.DB_query_revised_last_date' _Item.Description ; Last date that the table of related database entries was last updated. ; _Item.Category_ID 63 _Item.Category_label $Entity _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save_Entity_db_link _Category.Sf_category category_description _Category.Sf_framecode Entity_db_link _Category.ID 64 _Category.Name 'Entity_db_link' _category.Description ; Items in the entity_db_link provide the names of databases and accession numbers for entries in the databases that are related to a molecular entity and information about the link entry. ; _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 823 $_Entity_db_link.Database_code '_Entity_db_link.Database_code' 824 $_Entity_db_link.Accession_code '_Entity_db_link.Accession_code' 842 $_Entity_db_link.Entry_ID '_Entity_db_link.Entry_ID' 843 $_Entity_db_link.Entity_ID '_Entity_db_link.Entity_ID' 64 NMR-STAR stop_ save_ save__Entity_db_link.Ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Ordinal' _Item.ID 821 _Item.Name '_Entity_db_link.Ordinal' _Item.Description ; An integer value used to maintain the order of the rows in the entity DB loop when reading and writing NMR-STAR files. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_db_link.Author_supplied _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Author_supplied' _Item.ID 822 _Item.Name '_Entity_db_link.Author_supplied' _Item.Description ; A code indicating that the link to a related database was provided by an author (yes) or obtained through another method (no). ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Entity_db_link.Database_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Database_code' _Item.ID 823 _Item.Name '_Entity_db_link.Database_code' _Item.Description ; Code assigned to a database. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_db_link.Database_code' BMRB ? 823 64 NMR-STAR '_Entity_db_link.Database_code' DBJ ? 823 64 NMR-STAR '_Entity_db_link.Database_code' EMBL ? 823 64 NMR-STAR '_Entity_db_link.Database_code' GB ? 823 64 NMR-STAR '_Entity_db_link.Database_code' PDB ? 823 64 NMR-STAR '_Entity_db_link.Database_code' PIR ? 823 64 NMR-STAR '_Entity_db_link.Database_code' PRF ? 823 64 NMR-STAR '_Entity_db_link.Database_code' REF ? 823 64 NMR-STAR '_Entity_db_link.Database_code' SP ? 823 64 NMR-STAR '_Entity_db_link.Database_code' UNP ? 823 64 NMR-STAR '_Entity_db_link.Database_code' NCBI ? 823 64 NMR-STAR '_Entity_db_link.Database_code' HUGO 'HUGO Gene Nomenclature Committee' 823 64 NMR-STAR '_Entity_db_link.Database_code' tRNADB 'transfer RNA database' 823 64 NMR-STAR '_Entity_db_link.Database_code' BMRB(withdrawn) ? 823 64 NMR-STAR stop_ save_ save__Entity_db_link.Accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Accession_code' _Item.ID 824 _Item.Name '_Entity_db_link.Accession_code' _Item.Description ; Accession code for the entry in the database. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity_db_link.Entry_mol_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_mol_code' _Item.ID 825 _Item.Name '_Entity_db_link.Entry_mol_code' _Item.Description ; Code assigned by the database to the molecule in the database entry. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_db_link.Entry_mol_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_mol_name' _Item.ID 826 _Item.Name '_Entity_db_link.Entry_mol_name' _Item.Description ; Name of the molecular entity in the database entry. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_db_link.Entry_experimental_method _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_experimental_method' _Item.ID 827 _Item.Name '_Entity_db_link.Entry_experimental_method' _Item.Description ; For structural databases, the method used to determine the structure. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_db_link.Entry_experimental_method' 'solution NMR' ? 827 64 NMR-STAR '_Entity_db_link.Entry_experimental_method' 'solid-state NMR' ? 827 64 NMR-STAR '_Entity_db_link.Entry_experimental_method' 'X-ray crystallography' ? 827 64 NMR-STAR stop_ save_ save__Entity_db_link.Entry_structure_resolution _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_structure_resolution' _Item.ID 828 _Item.Name '_Entity_db_link.Entry_structure_resolution' _Item.Description ; A value taken from the database that is a measure of the quality of the structure. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity_db_link.Entry_relation_type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_relation_type' _Item.ID 829 _Item.Name '_Entity_db_link.Entry_relation_type' _Item.Description ; A brief description of how the database entry is related to the molecular entity. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_db_link.Entry_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_details' _Item.ID 830 _Item.Name '_Entity_db_link.Entry_details' _Item.Description ; Text providing additional information about the matching entry. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_db_link.Chimera_segment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Chimera_segment_ID' _Item.ID 831 _Item.Name '_Entity_db_link.Chimera_segment_ID' _Item.Description ; Code indicating if the listed database link is specific to the fragment of the entity described by the tag '_Entity.Fragment'. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_db_link.Seq_query_to_submitted_percent _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_query_to_submitted_percent' _Item.ID 832 _Item.Name '_Entity_db_link.Seq_query_to_submitted_percent' _Item.Description ; In percent, the ratio of the length of retrieve sequence to the length of the sequence of the molecular entity. This value can be used to determine if the retrieved sequence is a subset or superset of the molecular entity. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity_db_link.Seq_subject_length _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_subject_length' _Item.ID 833 _Item.Name '_Entity_db_link.Seq_subject_length' _Item.Description ; Length of the polymer sequence retrieve from the database. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_db_link.Seq_identity _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_identity' _Item.ID 834 _Item.Name '_Entity_db_link.Seq_identity' _Item.Description ; Number of residues in the retrieved sequence that have identical positions in the molecular entity determined by a homology alignment method. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity_db_link.Seq_positive _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_positive' _Item.ID 835 _Item.Name '_Entity_db_link.Seq_positive' _Item.Description ; Number of residues in the retrieved sequence where the corresponding residue in the molecular entity sequence has similar physical characteristics (hydrophobicity, charge, etc.) ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity_db_link.Seq_homology_expectation_val _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_homology_expectation_val' _Item.ID 836 _Item.Name '_Entity_db_link.Seq_homology_expectation_val' _Item.Description ; The BLAST expectation value for the homology between the retrieved polymer and the molecular entity. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Entity_db_link.Seq_align_begin _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_align_begin' _Item.ID 837 _Item.Name '_Entity_db_link.Seq_align_begin' _Item.Description ; The sequence position in the database sequence at which the alignment with the sequence of the biopolymer studied begins. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_db_link.Seq_align_end _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_align_end' _Item.ID 838 _Item.Name '_Entity_db_link.Seq_align_end' _Item.Description ; The sequence position in the database sequence at which the alignment with the sequence of the biopolymer studied. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_db_link.Seq_difference_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_difference_details' _Item.ID 839 _Item.Name '_Entity_db_link.Seq_difference_details' _Item.Description ; Text describing the differences in the sequences for the matched polymers. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_db_link.Seq_alignment_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Seq_alignment_details' _Item.ID 840 _Item.Name '_Entity_db_link.Seq_alignment_details' _Item.Description ; Text describing the alignment between the matched polymer sequences. ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_db_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Sf_ID' _Item.ID 841 _Item.Name '_Entity_db_link.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_db_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entry_ID' _Item.ID 842 _Item.Name '_Entity_db_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_db_link.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_db_link.Entity_ID' _Item.ID 843 _Item.Name '_Entity_db_link.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 64 _Item.Category_label $Entity_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_biological_function _Category.Sf_category category_description _Category.Sf_framecode Entity_biological_function _Category.ID 65 _Category.Name 'Entity_biological_function' _category.Description ; Items in the entity_biological_function category describe the biological function of the molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 844 $_Entity_biological_function.Biological_function '_Entity_biological_function.Biological_function' 846 $_Entity_biological_function.Entry_ID '_Entity_biological_function.Entry_ID' 847 $_Entity_biological_function.Entity_ID '_Entity_biological_function.Entity_ID' 65 NMR-STAR stop_ save_ save__Entity_biological_function.Biological_function _Item.Sf_category item_description _Item.Sf_framecode '_Entity_biological_function.Biological_function' _Item.ID 844 _Item.Name '_Entity_biological_function.Biological_function' _Item.Description ; A specific function carried out by the molecular entity in its native biological system. ; _Item.Category_ID 65 _Item.Category_label $Entity_biological_function _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Entity_biological_function.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_biological_function.Sf_ID' _Item.ID 845 _Item.Name '_Entity_biological_function.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 65 _Item.Category_label $Entity_biological_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_biological_function.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_biological_function.Entry_ID' _Item.ID 846 _Item.Name '_Entity_biological_function.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 65 _Item.Category_label $Entity_biological_function _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_biological_function.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_biological_function.Entity_ID' _Item.ID 847 _Item.Name '_Entity_biological_function.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 65 _Item.Category_label $Entity_biological_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_common_name _Category.Sf_category category_description _Category.Sf_framecode Entity_common_name _Category.ID 66 _Category.Name 'Entity_common_name' _category.Description ; Items in the entity_common_name category provide a list of common names for the molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 848 $_Entity_common_name.Name '_Entity_common_name.Name' 849 $_Entity_common_name.Type '_Entity_common_name.Type' 851 $_Entity_common_name.Entry_ID '_Entity_common_name.Entry_ID' 852 $_Entity_common_name.Entity_ID '_Entity_common_name.Entity_ID' 66 NMR-STAR stop_ save_ save__Entity_common_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_common_name.Name' _Item.ID 848 _Item.Name '_Entity_common_name.Name' _Item.Description ; A name commonly used in the literature to refer to this biopolymer. This may be a full name or an abbreviation. ; _Item.Category_ID 66 _Item.Category_label $Entity_common_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity_common_name.Type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_common_name.Type' _Item.ID 849 _Item.Name '_Entity_common_name.Type' _Item.Description ; A code defining the type of the common name provided. ; _Item.Category_ID 66 _Item.Category_label $Entity_common_name _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_common_name.Type' common 'An often used full name for the entity' 849 66 NMR-STAR '_Entity_common_name.Type' abbreviation 'Common abbreviation used in the literature for the entity' 849 66 NMR-STAR '_Entity_common_name.Type' synonym 'A synonym used for the entity' 849 66 NMR-STAR stop_ save_ save__Entity_common_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_common_name.Sf_ID' _Item.ID 850 _Item.Name '_Entity_common_name.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 66 _Item.Category_label $Entity_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_common_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_common_name.Entry_ID' _Item.ID 851 _Item.Name '_Entity_common_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 66 _Item.Category_label $Entity_common_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_common_name.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_common_name.Entity_ID' _Item.ID 852 _Item.Name '_Entity_common_name.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 66 _Item.Category_label $Entity_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_systematic_name _Category.Sf_category category_description _Category.Sf_framecode Entity_systematic_name _Category.ID 67 _Category.Name 'Entity_systematic_name' _category.Description ; Items in the entity_systematic_name category provide a list of systematic names for a molecular entity and the systematic naming system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 854 $_Entity_systematic_name.Naming_system '_Entity_systematic_name.Naming_system' 856 $_Entity_systematic_name.Entry_ID '_Entity_systematic_name.Entry_ID' 857 $_Entity_systematic_name.Entity_ID '_Entity_systematic_name.Entity_ID' 67 NMR-STAR stop_ save_ save__Entity_systematic_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_systematic_name.Name' _Item.ID 853 _Item.Name '_Entity_systematic_name.Name' _Item.Description ; A name for the biopolymer that has been defined by an official body or is derived from rules defined by an official organization recognized by the scientific community. ; _Item.Category_ID 67 _Item.Category_label $Entity_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity_systematic_name.Naming_system _Item.Sf_category item_description _Item.Sf_framecode '_Entity_systematic_name.Naming_system' _Item.ID 854 _Item.Name '_Entity_systematic_name.Naming_system' _Item.Description ; An official method of nomenclature or defined set of nomenclature for biopolymers recognized by the scientific community. ; _Item.Category_ID 67 _Item.Category_label $Entity_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_systematic_name.Naming_system' IUPAC ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' 'CAS name' ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' 'CAS registry number' ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' BMRB ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' 'Three letter code' ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' Pfam ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' Swiss-Prot ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' EC ? 854 67 NMR-STAR '_Entity_systematic_name.Naming_system' NCBI ? 854 67 NMR-STAR stop_ save_ save__Entity_systematic_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_systematic_name.Sf_ID' _Item.ID 855 _Item.Name '_Entity_systematic_name.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 67 _Item.Category_label $Entity_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_systematic_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_systematic_name.Entry_ID' _Item.ID 856 _Item.Name '_Entity_systematic_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 67 _Item.Category_label $Entity_systematic_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_systematic_name.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_systematic_name.Entity_ID' _Item.ID 857 _Item.Name '_Entity_systematic_name.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 67 _Item.Category_label $Entity_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_keyword _Category.Sf_category category_description _Category.Sf_framecode Entity_keyword _Category.ID 68 _Category.Name 'Entity_keyword' _category.Description ; Items in the entity_keyword category provide a list of keywords that describe a molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 858 $_Entity_keyword.Keyword '_Entity_keyword.Keyword' 860 $_Entity_keyword.Entry_ID '_Entity_keyword.Entry_ID' 861 $_Entity_keyword.Entity_ID '_Entity_keyword.Entity_ID' 68 NMR-STAR stop_ save_ save__Entity_keyword.Keyword _Item.Sf_category item_description _Item.Sf_framecode '_Entity_keyword.Keyword' _Item.ID 858 _Item.Name '_Entity_keyword.Keyword' _Item.Description ; A single word or very brief phrase that characterizes the molecular entity. ; _Item.Category_ID 68 _Item.Category_label $Entity_keyword _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity_keyword.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_keyword.Sf_ID' _Item.ID 859 _Item.Name '_Entity_keyword.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 68 _Item.Category_label $Entity_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_keyword.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_keyword.Entry_ID' _Item.ID 860 _Item.Name '_Entity_keyword.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 68 _Item.Category_label $Entity_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_keyword.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_keyword.Entity_ID' _Item.ID 861 _Item.Name '_Entity_keyword.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 68 _Item.Category_label $Entity_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_comp_index _Category.Sf_category category_description _Category.Sf_framecode Entity_comp_index _Category.ID 69 _Category.Name 'Entity_comp_index' _category.Description ; Items in the entity_comp_index category provide a consistent numbering system for the moieties (amino acid residues, nucleotides, monosaccharides, or other chemical components) that are linked together through chemical bonds to form either a polymer or a non-polymer entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 862 $_Entity_comp_index.ID '_Entity_comp_index.ID' 867 $_Entity_comp_index.Entry_ID '_Entity_comp_index.Entry_ID' 868 $_Entity_comp_index.Entity_ID '_Entity_comp_index.Entity_ID' 69 NMR-STAR stop_ save_ save__Entity_comp_index.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.ID' _Item.ID 862 _Item.Name '_Entity_comp_index.ID' _Item.Description ; Unique ID for the compound in the entity ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_comp_index.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.Auth_seq_ID' _Item.ID 863 _Item.Name '_Entity_comp_index.Auth_seq_ID' _Item.Description ; Author supplied sequence number identifying the position in the sequence of the polymer where the alternate residue or chemical compound is located. ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_comp_index.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.Comp_ID' _Item.ID 864 _Item.Name '_Entity_comp_index.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_comp_index.Comp_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.Comp_label' _Item.ID 865 _Item.Name '_Entity_comp_index.Comp_label' _Item.Description ; Pointer to a save frame of the category chem_comp. ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entity_comp_index.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.Sf_ID' _Item.ID 866 _Item.Name '_Entity_comp_index.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_comp_index.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.Entry_ID' _Item.ID 867 _Item.Name '_Entity_comp_index.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_comp_index.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index.Entity_ID' _Item.ID 868 _Item.Name '_Entity_comp_index.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 69 _Item.Category_label $Entity_comp_index _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_poly_seq _Category.Sf_category category_description _Category.Sf_framecode Entity_poly_seq _Category.ID 70 _Category.Name 'Entity_poly_seq' _category.Description ; Data items in the entity_poly_seq category specify the sequence of monomers in a polymer. Allowance is made for the possibility of microheterogeneity in a sample by allowing a given sequence number to be correlated with more than one monomer ID. The corresponding ATOM_SITE entries should reflect this heterogeneity. ; _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 871 $_Entity_poly_seq.Num '_Entity_poly_seq.Num' 874 $_Entity_poly_seq.Entry_ID '_Entity_poly_seq.Entry_ID' 875 $_Entity_poly_seq.Entity_ID '_Entity_poly_seq.Entity_ID' 70 NMR-STAR stop_ save_ save__Entity_poly_seq.Hetero _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Hetero' _Item.ID 869 _Item.Name '_Entity_poly_seq.Hetero' _Item.Description ; A flag to indicate whether this monomer in the polymer is heterogeneous in sequence. This would be rare. ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code no _Item.Type_code 'ucode' save_ save__Entity_poly_seq.Mon_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Mon_ID' _Item.ID 870 _Item.Name '_Entity_poly_seq.Mon_ID' _Item.Description ; This data item is a pointer to '_Chem_comp.ID' in the chem_comp category. ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code no _Item.Type_code 'code' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_poly_seq.Num _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Num' _Item.ID 871 _Item.Name '_Entity_poly_seq.Num' _Item.Description ; The value of '_Entity_poly_seq.Num must uniquely and sequentially identify a record in the Entiy_poly_seq list. Note that this item must be a number and that the sequence numbers must progress in increasing numerical order. ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_poly_seq.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Comp_index_ID' _Item.ID 872 _Item.Name '_Entity_poly_seq.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_poly_seq.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Sf_ID' _Item.ID 873 _Item.Name '_Entity_poly_seq.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_poly_seq.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Entry_ID' _Item.ID 874 _Item.Name '_Entity_poly_seq.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_poly_seq.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_poly_seq.Entity_ID' _Item.ID 875 _Item.Name '_Entity_poly_seq.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 70 _Item.Category_label $Entity_poly_seq _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_chimera_segment _Category.Sf_category category_description _Category.Sf_framecode Entity_chimera_segment _Category.ID 71 _Category.Name 'Entity_chimera_segment' _category.Description ; Items in the entity_chimera_segment category describe the beginning and ending points of the two segments of a biopolymer that form the hybrid biopolymer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 876 $_Entity_chimera_segment.ID '_Entity_chimera_segment.ID' 883 $_Entity_chimera_segment.Entry_ID '_Entity_chimera_segment.Entry_ID' 884 $_Entity_chimera_segment.Entity_ID '_Entity_chimera_segment.Entity_ID' 71 NMR-STAR stop_ save_ save__Entity_chimera_segment.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.ID' _Item.ID 876 _Item.Name '_Entity_chimera_segment.ID' _Item.Description ; The value of '_Entity_chimera_segment.ID' must uniquely identify a record in the Entity_fragment list. ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_chimera_segment.Comp_index_ID_begin _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Comp_index_ID_begin' _Item.ID 877 _Item.Name '_Entity_chimera_segment.Comp_index_ID_begin' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chimera_segment.Comp_index_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Comp_index_ID_end' _Item.ID 878 _Item.Name '_Entity_chimera_segment.Comp_index_ID_end' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chimera_segment.Seq_ID_begin _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Seq_ID_begin' _Item.ID 879 _Item.Name '_Entity_chimera_segment.Seq_ID_begin' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chimera_segment.Seq_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Seq_ID_end' _Item.ID 880 _Item.Name '_Entity_chimera_segment.Seq_ID_end' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chimera_segment.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Details' _Item.ID 881 _Item.Name '_Entity_chimera_segment.Details' _Item.Description ; Text providing additional information about the fragment from the molecular entity. ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_chimera_segment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Sf_ID' _Item.ID 882 _Item.Name '_Entity_chimera_segment.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chimera_segment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Entry_ID' _Item.ID 883 _Item.Name '_Entity_chimera_segment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_chimera_segment.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chimera_segment.Entity_ID' _Item.ID 884 _Item.Name '_Entity_chimera_segment.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 71 _Item.Category_label $Entity_chimera_segment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_comp_index_alt _Category.Sf_category category_description _Category.Sf_framecode Entity_comp_index_alt _Category.ID 72 _Category.Name 'Entity_comp_index_alt' _category.Description ; Items in the entity_comp_index_alt category define an alternate residue numbering scheme for the an entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 885 $_Entity_comp_index_alt.Entity_comp_index_ID '_Entity_comp_index_alt.Entity_comp_index_ID' 888 $_Entity_comp_index_alt.Comp_ID '_Entity_comp_index_alt.Comp_ID' 891 $_Entity_comp_index_alt.Entry_ID '_Entity_comp_index_alt.Entry_ID' 892 $_Entity_comp_index_alt.Entity_ID '_Entity_comp_index_alt.Entity_ID' 72 NMR-STAR stop_ save_ save__Entity_comp_index_alt.Entity_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Entity_comp_index_ID' _Item.ID 885 _Item.Name '_Entity_comp_index_alt.Entity_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_comp_index_alt.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Auth_seq_ID' _Item.ID 886 _Item.Name '_Entity_comp_index_alt.Auth_seq_ID' _Item.Description ; Author supplied sequence number identifying the position in the sequence of the polymer where the alternate residue or chemical compound is located. ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_comp_index_alt.Auth_comp_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Auth_comp_name' _Item.ID 887 _Item.Name '_Entity_comp_index_alt.Auth_comp_name' _Item.Description ; Author supplied name or code for the alternate residue found at the defined sequence position. ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_comp_index_alt.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Comp_ID' _Item.ID 888 _Item.Name '_Entity_comp_index_alt.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_comp_index_alt.Comp_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Comp_label' _Item.ID 889 _Item.Name '_Entity_comp_index_alt.Comp_label' _Item.Description ; Pointer to a save frame of the category chem_comp. ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_comp_index_alt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Sf_ID' _Item.ID 890 _Item.Name '_Entity_comp_index_alt.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_comp_index_alt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Entry_ID' _Item.ID 891 _Item.Name '_Entity_comp_index_alt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_comp_index_alt.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_comp_index_alt.Entity_ID' _Item.ID 892 _Item.Name '_Entity_comp_index_alt.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 72 _Item.Category_label $Entity_comp_index_alt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_atom_list _Category.Sf_category category_description _Category.Sf_framecode Entity_atom_list _Category.ID 73 _Category.Name 'Entity_atom_list' _category.Description ; Items in the entity_atom_list define the names of the atoms that exist in the entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 893 $_Entity_atom_list.ID '_Entity_atom_list.ID' 898 $_Entity_atom_list.Entry_ID '_Entity_atom_list.Entry_ID' 899 $_Entity_atom_list.Entity_ID '_Entity_atom_list.Entity_ID' 73 NMR-STAR stop_ save_ save__Entity_atom_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.ID' _Item.ID 893 _Item.Name '_Entity_atom_list.ID' _Item.Description ; The value of '_Entity_atom_list.ID' must uniquely identify an atom in the entity. ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_atom_list.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.Comp_index_ID' _Item.ID 894 _Item.Name '_Entity_atom_list.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_atom_list.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.Comp_ID' _Item.ID 895 _Item.Name '_Entity_atom_list.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_atom_list.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.Atom_ID' _Item.ID 896 _Item.Name '_Entity_atom_list.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Entity_atom_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.Sf_ID' _Item.ID 897 _Item.Name '_Entity_atom_list.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_atom_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.Entry_ID' _Item.ID 898 _Item.Name '_Entity_atom_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_atom_list.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_atom_list.Entity_ID' _Item.ID 899 _Item.Name '_Entity_atom_list.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 73 _Item.Category_label $Entity_atom_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_chem_comp_deleted_atom _Category.Sf_category category_description _Category.Sf_framecode Entity_chem_comp_deleted_atom _Category.ID 74 _Category.Name 'Entity_chem_comp_deleted_atom' _category.Description ; Items in the entity_chem_comp_deleted_atom define atoms commonly found in residues and ligands that are deleted and not found in the entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 900 $_Entity_chem_comp_deleted_atom.Comp_index_ID '_Entity_chem_comp_deleted_atom.Comp_index_ID' 902 $_Entity_chem_comp_deleted_atom.Atom_ID '_Entity_chem_comp_deleted_atom.Atom_ID' 904 $_Entity_chem_comp_deleted_atom.Entry_ID '_Entity_chem_comp_deleted_atom.Entry_ID' 905 $_Entity_chem_comp_deleted_atom.Entity_ID '_Entity_chem_comp_deleted_atom.Entity_ID' 74 NMR-STAR stop_ save_ save__Entity_chem_comp_deleted_atom.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chem_comp_deleted_atom.Comp_index_ID' _Item.ID 900 _Item.Name '_Entity_chem_comp_deleted_atom.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 74 _Item.Category_label $Entity_chem_comp_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chem_comp_deleted_atom.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chem_comp_deleted_atom.Comp_ID' _Item.ID 901 _Item.Name '_Entity_chem_comp_deleted_atom.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 74 _Item.Category_label $Entity_chem_comp_deleted_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_chem_comp_deleted_atom.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chem_comp_deleted_atom.Atom_ID' _Item.ID 902 _Item.Name '_Entity_chem_comp_deleted_atom.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 74 _Item.Category_label $Entity_chem_comp_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Entity_chem_comp_deleted_atom.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chem_comp_deleted_atom.Sf_ID' _Item.ID 903 _Item.Name '_Entity_chem_comp_deleted_atom.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 74 _Item.Category_label $Entity_chem_comp_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_chem_comp_deleted_atom.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chem_comp_deleted_atom.Entry_ID' _Item.ID 904 _Item.Name '_Entity_chem_comp_deleted_atom.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 74 _Item.Category_label $Entity_chem_comp_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_chem_comp_deleted_atom.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_chem_comp_deleted_atom.Entity_ID' _Item.ID 905 _Item.Name '_Entity_chem_comp_deleted_atom.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 74 _Item.Category_label $Entity_chem_comp_deleted_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_bond _Category.Sf_category category_description _Category.Sf_framecode Entity_bond _Category.ID 75 _Category.Name 'Entity_bond' _category.Description ; Items in the entity_bond category define chemical bonds that are unique to the entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 906 $_Entity_bond.ID '_Entity_bond.ID' 917 $_Entity_bond.Entry_ID '_Entity_bond.Entry_ID' 918 $_Entity_bond.Entity_ID '_Entity_bond.Entity_ID' 75 NMR-STAR stop_ save_ save__Entity_bond.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.ID' _Item.ID 906 _Item.Name '_Entity_bond.ID' _Item.Description ; The value of _Entity_bond.id must uniquely identify a record in the Entity_bond list. ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_bond.Type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Type' _Item.ID 907 _Item.Name '_Entity_bond.Type' _Item.Description ; A common chemical bond descriptive name. ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_bond.Type' amide ? 907 75 NMR-STAR '_Entity_bond.Type' covalent ? 907 75 NMR-STAR '_Entity_bond.Type' directed ? 907 75 NMR-STAR '_Entity_bond.Type' disulfide ? 907 75 NMR-STAR '_Entity_bond.Type' ester ? 907 75 NMR-STAR '_Entity_bond.Type' ether ? 907 75 NMR-STAR '_Entity_bond.Type' hydrogen ? 907 75 NMR-STAR '_Entity_bond.Type' 'metal coordination' ? 907 75 NMR-STAR '_Entity_bond.Type' peptide ? 907 75 NMR-STAR '_Entity_bond.Type' thioether ? 907 75 NMR-STAR '_Entity_bond.Type' oxime ? 907 75 NMR-STAR '_Entity_bond.Type' thioester ? 907 75 NMR-STAR '_Entity_bond.Type' phosphoester ? 907 75 NMR-STAR '_Entity_bond.Type' phosphodiester ? 907 75 NMR-STAR '_Entity_bond.Type' diselenide ? 907 75 NMR-STAR '_Entity_bond.Type' na ? 907 75 NMR-STAR stop_ save_ save__Entity_bond.Value_order _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Value_order' _Item.ID 908 _Item.Name '_Entity_bond.Value_order' _Item.Description ; The value that should be taken as the target for the chemical bond associated with the specified atoms expressed as a bond order. ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_bond.Value_order' sing 'single bond' 908 75 NMR-STAR '_Entity_bond.Value_order' doub 'double bond' 908 75 NMR-STAR '_Entity_bond.Value_order' trip 'triple bond' 908 75 NMR-STAR '_Entity_bond.Value_order' quad 'quadruple bond' 908 75 NMR-STAR '_Entity_bond.Value_order' arom 'aromatic bond' 908 75 NMR-STAR '_Entity_bond.Value_order' poly 'polymeric bond' 908 75 NMR-STAR '_Entity_bond.Value_order' delo 'delocalized double bond' 908 75 NMR-STAR '_Entity_bond.Value_order' pi 'pi bond' 908 75 NMR-STAR '_Entity_bond.Value_order' directed 'N ->O' 908 75 NMR-STAR stop_ save_ save__Entity_bond.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Comp_index_ID_1' _Item.ID 909 _Item.Name '_Entity_bond.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_bond.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Comp_ID_1' _Item.ID 910 _Item.Name '_Entity_bond.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_bond.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Atom_ID_1' _Item.ID 911 _Item.Name '_Entity_bond.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Entity_bond.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Comp_index_ID_2' _Item.ID 912 _Item.Name '_Entity_bond.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_bond.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Comp_ID_2' _Item.ID 913 _Item.Name '_Entity_bond.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_bond.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Atom_ID_2' _Item.ID 914 _Item.Name '_Entity_bond.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Entity_bond.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Details' _Item.ID 915 _Item.Name '_Entity_bond.Details' _Item.Description ; A text description of the bond. ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_bond.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Sf_ID' _Item.ID 916 _Item.Name '_Entity_bond.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_bond.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Entry_ID' _Item.ID 917 _Item.Name '_Entity_bond.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_bond.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_bond.Entity_ID' _Item.ID 918 _Item.Name '_Entity_bond.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 75 _Item.Category_label $Entity_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_citation _Category.Sf_category category_description _Category.Sf_framecode Entity_citation _Category.ID 76 _Category.Name 'Entity_citation' _category.Description ; Items in the entity_citation category provide pointers to citations save frames where citations that describe the entity are defined. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 8 _Category.Category_group_name entity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 919 $_Entity_citation.Citation_ID '_Entity_citation.Citation_ID' 922 $_Entity_citation.Entry_ID '_Entity_citation.Entry_ID' 923 $_Entity_citation.Entity_ID '_Entity_citation.Entity_ID' 76 NMR-STAR stop_ save_ save__Entity_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_citation.Citation_ID' _Item.ID 919 _Item.Name '_Entity_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 76 _Item.Category_label $Entity_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_citation.Citation_label' _Item.ID 920 _Item.Name '_Entity_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 76 _Item.Category_label $Entity_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_citation.Sf_ID' _Item.ID 921 _Item.Name '_Entity_citation.Sf_ID' _Item.Description ; Pointer to '_Entity.Sf_ID' ; _Item.Category_ID 76 _Item.Category_label $Entity_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_citation.Entry_ID' _Item.ID 922 _Item.Name '_Entity_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 76 _Item.Category_label $Entity_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_citation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_citation.Entity_ID' _Item.ID 923 _Item.Name '_Entity_citation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 76 _Item.Category_label $Entity_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_natural_src_list _Category.Sf_category category_description _Category.Sf_framecode Entity_natural_src_list _Category.ID 77 _Category.Name 'Entity_natural_src_list' _category.Description ; Items in the entity_natural_src_list category define an entity natural source save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 12 _Category.Category_group_name natural_source _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 926 $_Entity_natural_src_list.Entry_ID '_Entity_natural_src_list.Entry_ID' 928 $_Entity_natural_src_list.ID '_Entity_natural_src_list.ID' 77 NMR-STAR stop_ save_ save__Entity_natural_src_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src_list.Sf_category' _Item.ID 924 _Item.Name '_Entity_natural_src_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 77 _Item.Category_label $Entity_natural_src_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_natural_src_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src_list.Sf_framecode' _Item.ID 925 _Item.Name '_Entity_natural_src_list.Sf_framecode' _Item.Description ; Framecode for the save frame where the natural sources for each entity are listed. ; _Item.Category_ID 77 _Item.Category_label $Entity_natural_src_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_natural_src_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src_list.Entry_ID' _Item.ID 926 _Item.Name '_Entity_natural_src_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID'. ; _Item.Category_ID 77 _Item.Category_label $Entity_natural_src_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_natural_src_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src_list.Sf_ID' _Item.ID 927 _Item.Name '_Entity_natural_src_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 77 _Item.Category_label $Entity_natural_src_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_natural_src_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src_list.ID' _Item.ID 928 _Item.Name '_Entity_natural_src_list.ID' _Item.Description ; An integer value that is the unique identifier for save frames of the type 'natural_source'. ; _Item.Category_ID 77 _Item.Category_label $Entity_natural_src_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save_Entity_natural_src _Category.Sf_category category_description _Category.Sf_framecode Entity_natural_src _Category.ID 78 _Category.Name 'Entity_natural_src' _category.Description ; Items in the entity_natural_src category describe the organism, virus, or other naturally occurring object that is the original source for a molecular entity or a major portion of a molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 12 _Category.Category_group_name natural_source _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 929 $_Entity_natural_src.ID '_Entity_natural_src.ID' 966 $_Entity_natural_src.Entry_ID '_Entity_natural_src.Entry_ID' 967 $_Entity_natural_src.Entity_natural_src_list_ID '_Entity_natural_src.Entity_natural_src_list_ID' 78 NMR-STAR stop_ save_ save__Entity_natural_src.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.ID' _Item.ID 929 _Item.Name '_Entity_natural_src.ID' _Item.Description ; An integer value that uniquely identifies the natural source provided. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_natural_src.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Entity_ID' _Item.ID 930 _Item.Name '_Entity_natural_src.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_natural_src.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Entity_label' _Item.ID 931 _Item.Name '_Entity_natural_src.Entity_label' _Item.Description ; Pointer to a save frame of the category 'entity.' This is the label assigned to the molecular entity by the author when completing the molecular entity portion of the deposition. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_natural_src.Entity_chimera_segment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Entity_chimera_segment_ID' _Item.ID 932 _Item.Name '_Entity_natural_src.Entity_chimera_segment_ID' _Item.Description ; Pointer to '_Entity_chimera_segment.ID' ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_natural_src.NCBI_taxonomy_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.NCBI_taxonomy_ID' _Item.ID 933 _Item.Name '_Entity_natural_src.NCBI_taxonomy_ID' _Item.Description ; NCBI taxonomy ID ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_natural_src.Type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Type' _Item.ID 934 _Item.Name '_Entity_natural_src.Type' _Item.Description ; The general type of natural source for the entity or an indication if no natural source or multiple natural sources. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Type' organism ? 934 78 NMR-STAR '_Entity_natural_src.Type' virus ? 934 78 NMR-STAR '_Entity_natural_src.Type' plasmid ? 934 78 NMR-STAR '_Entity_natural_src.Type' cosmid ? 934 78 NMR-STAR '_Entity_natural_src.Type' 'multiple natural sources' ? 934 78 NMR-STAR '_Entity_natural_src.Type' 'no natural source' ? 934 78 NMR-STAR '_Entity_natural_src.Type' 'not applicable' ? 934 78 NMR-STAR stop_ save_ save__Entity_natural_src.Common _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Common' _Item.ID 935 _Item.Name '_Entity_natural_src.Common' _Item.Description ; The molecular entity or biopolymer is common to more than one natural source. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Entity_natural_src.Organism_name_scientific _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Organism_name_scientific' _Item.ID 936 _Item.Name '_Entity_natural_src.Organism_name_scientific' _Item.Description ; Scientific name for the organism. Usually a combination of the genus and species for the organism. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Organism_name_scientific' 'Homo sapiens' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Escherichia coli' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Mus musculus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Rattus norvegicus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Saccharomyces cerevisiae' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bos taurus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bos primigenius' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Gallus gallus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Maleagris gallopavo' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Drosophila melanogaster' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bacillus subtilis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Arabidopsis thaliana' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Staphylococcus aureus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Oryctolagus cuniculus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Clostridium pasteurianum' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Equus caballus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Pseudomonas aeruginosa' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Thermotoga maritima' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Thermus thermophilus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Methanobacterium thermoautotrophicum' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Xenopus laevis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Amaranthus caudatus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Anabaena variabilis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Anemonia sulcata' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Apis mellifera' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Aquifex aeolicus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Arachis hypogea' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Azotobacter vinelandii' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bacillus amyloliquefaciens' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bacillus circulans' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bacillus pasteurii' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bacillus stearothermophilus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bombyx mori' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Borrelia burgdorferi' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Bungarus multicinctus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Caenorhabditis elegans' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Canis familiaris' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Centruroides noxius' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Chlamydomonas reinhardtii' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Conus geographus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Conus imperialis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Conus purpurascens' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Cricetulus griseus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Cucurbita maxima' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Desulfovibrio gigas' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Desulfovibrio vulgaris' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Enterococcus faecalis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Glycera dibranchiata' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Hadronyche versuta' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Haemophilus influenzae' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Halobacterium halobium' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Hirudo medicinalis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' HIV ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Hordeum vulgare' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Hydrogenobacter thermophilus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Lactobacillus casei' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Lactococcus lactis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Leiurus quinquestriatus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Lentivirus human immunodeficiency virus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Methanococcus jannaschii' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Methanococcus thermolithotrophicus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Methanothermobacter thermautotrophicus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' Morbillivirus ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Mycobacterium tuberculosis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Naja oxiana' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Neisseria meningitidis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Neurospora crassa' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Opisthacanthus madagascariensis' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Oryza sativa' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Ovis aries' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Pandinus imperator' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Paracoccus denitrificans' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Physeter catodon' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Pisum sativum' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Pseudomonas putida' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Pyrococcus furiosus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Rana catesbeiana' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Rhodobacter sphaeroides' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Rhodospirillum rubrum' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Salmonella typhimurium' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Schizosaccharomyces pombe' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Selenocosmia hainana' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Solanum tuberosum' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Streptomyces carzinostaticus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Sulfolobus solfataricus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Sus scrofa' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Thermoplasma acidophilum' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Thermosynechococcus elongatus' ? 936 78 NMR-STAR '_Entity_natural_src.Organism_name_scientific' 'Trichoderma reesei' ? 936 78 NMR-STAR stop_ save_ save__Entity_natural_src.Organism_name_common _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Organism_name_common' _Item.ID 937 _Item.Name '_Entity_natural_src.Organism_name_common' _Item.Description ; Common name used for the biological organism. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Organism_acronym _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Organism_acronym' _Item.ID 938 _Item.Name '_Entity_natural_src.Organism_acronym' _Item.Description ; A common acronym used to identify the organism. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.ICTVdb_decimal_code _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.ICTVdb_decimal_code' _Item.ID 939 _Item.Name '_Entity_natural_src.ICTVdb_decimal_code' _Item.Description ; ICTV database decimal code for a virus ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Superkingdom _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Superkingdom' _Item.ID 940 _Item.Name '_Entity_natural_src.Superkingdom' _Item.Description ; Scientific superkingdom classification for an organism as defined by NCBI taxonomists. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Superkingdom' Archaea ? 940 78 NMR-STAR '_Entity_natural_src.Superkingdom' Bacteria prokaryotes 940 78 NMR-STAR '_Entity_natural_src.Superkingdom' Eukaryota ? 940 78 NMR-STAR '_Entity_natural_src.Superkingdom' Viroid ? 940 78 NMR-STAR '_Entity_natural_src.Superkingdom' Viruses ? 940 78 NMR-STAR '_Entity_natural_src.Superkingdom' Other ? 940 78 NMR-STAR '_Entity_natural_src.Superkingdom' Unclassified ? 940 78 NMR-STAR stop_ save_ save__Entity_natural_src.Kingdom _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Kingdom' _Item.ID 941 _Item.Name '_Entity_natural_src.Kingdom' _Item.Description ; Kingdom classifications for an organism as defined by NCBI taxonomists. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Kingdom' Metazoa ? 941 78 NMR-STAR '_Entity_natural_src.Kingdom' Fungi ? 941 78 NMR-STAR '_Entity_natural_src.Kingdom' Viridiplantae ? 941 78 NMR-STAR '_Entity_natural_src.Kingdom' Protista ? 941 78 NMR-STAR '_Entity_natural_src.Kingdom' 'Not applicable' ? 941 78 NMR-STAR stop_ save_ save__Entity_natural_src.Genus _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Genus' _Item.ID 942 _Item.Name '_Entity_natural_src.Genus' _Item.Description ; Genus for the natural organism ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Species _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Species' _Item.ID 943 _Item.Name '_Entity_natural_src.Species' _Item.Description ; Scientific name for the species of the organism as defined by NCBI taxonomists whenever possible. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Strain _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Strain' _Item.ID 944 _Item.Name '_Entity_natural_src.Strain' _Item.Description ; The scientific name for the strain of an organism. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Variant _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Variant' _Item.ID 945 _Item.Name '_Entity_natural_src.Variant' _Item.Description ; Name used to classify the variant of an organism. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Subvariant _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Subvariant' _Item.ID 946 _Item.Name '_Entity_natural_src.Subvariant' _Item.Description ; Name used to define a subvariant of an organism. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Organ _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Organ' _Item.ID 947 _Item.Name '_Entity_natural_src.Organ' _Item.Description ; The organ of a higher organism where the biopolymer is found in nature. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Organ' brain ? 947 78 NMR-STAR '_Entity_natural_src.Organ' heart ? 947 78 NMR-STAR '_Entity_natural_src.Organ' intestine ? 947 78 NMR-STAR '_Entity_natural_src.Organ' kidney ? 947 78 NMR-STAR '_Entity_natural_src.Organ' liver ? 947 78 NMR-STAR '_Entity_natural_src.Organ' lung ? 947 78 NMR-STAR '_Entity_natural_src.Organ' pancreas ? 947 78 NMR-STAR '_Entity_natural_src.Organ' skin ? 947 78 NMR-STAR '_Entity_natural_src.Organ' testicle ? 947 78 NMR-STAR '_Entity_natural_src.Organ' leaf ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'venom gland' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'oral mucosa submandibular-sublingual glands' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'salivary glands' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' oocyte ? 947 78 NMR-STAR '_Entity_natural_src.Organ' breast ? 947 78 NMR-STAR '_Entity_natural_src.Organ' stomach ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'electric organ' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' eye ? 947 78 NMR-STAR '_Entity_natural_src.Organ' ileum ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'small intestine' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' seed ? 947 78 NMR-STAR '_Entity_natural_src.Organ' blood ? 947 78 NMR-STAR '_Entity_natural_src.Organ' duodendum ? 947 78 NMR-STAR '_Entity_natural_src.Organ' jejunum ? 947 78 NMR-STAR '_Entity_natural_src.Organ' vulva ? 947 78 NMR-STAR '_Entity_natural_src.Organ' hepatopancreas ? 947 78 NMR-STAR '_Entity_natural_src.Organ' placenta ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'skeletal muscle' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' aorta ? 947 78 NMR-STAR '_Entity_natural_src.Organ' telson ? 947 78 NMR-STAR '_Entity_natural_src.Organ' ubiquitous ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'aciniform gland' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' endoskeleton ? 947 78 NMR-STAR '_Entity_natural_src.Organ' heamolymph ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'mucous epithelium' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'cardiac skeletal muscle' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'seminal vesicles' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' antennae ? 947 78 NMR-STAR '_Entity_natural_src.Organ' fruit ? 947 78 NMR-STAR '_Entity_natural_src.Organ' thymus ? 947 78 NMR-STAR '_Entity_natural_src.Organ' 'egg white' ? 947 78 NMR-STAR '_Entity_natural_src.Organ' na ? 947 78 NMR-STAR stop_ save_ save__Entity_natural_src.Tissue _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Tissue' _Item.ID 948 _Item.Name '_Entity_natural_src.Tissue' _Item.Description ; The tissue from an organism that is the natural or experimental source of the molecule. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Tissue' skin ? 948 78 NMR-STAR stop_ save_ save__Entity_natural_src.Tissue_fraction _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Tissue_fraction' _Item.ID 949 _Item.Name '_Entity_natural_src.Tissue_fraction' _Item.Description ; The fraction of the tissue that was used as the source of the molecular entity. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Cell_line _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Cell_line' _Item.ID 950 _Item.Name '_Entity_natural_src.Cell_line' _Item.Description ; Name the specific line of cells used in the experiment. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Cell_type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Cell_type' _Item.ID 951 _Item.Name '_Entity_natural_src.Cell_type' _Item.Description ; Identify the particular kind of cell. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.ATCC_number _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.ATCC_number' _Item.ID 952 _Item.Name '_Entity_natural_src.ATCC_number' _Item.Description ; Organism culture number defined in the American Type Culture Collection. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Organelle _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Organelle' _Item.ID 953 _Item.Name '_Entity_natural_src.Organelle' _Item.Description ; Organized structure within a cell. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Organelle' chloroplast ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' 'endoplasmic reticulum' ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' 'golgi apparatus' ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' mitochondria ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' nucleus ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' vacuole ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' acrosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' autophagosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' centriole ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' cilium ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' 'eyespot apparatus' ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' glycosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' glyoxysome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' hydrogenosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' lysosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' melanosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' mitosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' myofibril ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' nucleolus ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' parenthesome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' peroxisome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' proteasome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' ribosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' vesicle ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' cytosol ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' cytoskeleton ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' 'endomembrane system' ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' nucleosome ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' microtubule ? 953 78 NMR-STAR '_Entity_natural_src.Organelle' 'cell membrane' ? 953 78 NMR-STAR stop_ save_ save__Entity_natural_src.Cellular_location _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Cellular_location' _Item.ID 954 _Item.Name '_Entity_natural_src.Cellular_location' _Item.Description ; The cellular location where the molecular entity is found with in the natural source for the molecular entity. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Fragment _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Fragment' _Item.ID 955 _Item.Name '_Entity_natural_src.Fragment' _Item.Description ; A domain or fragment of the molecule. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Fraction _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Fraction' _Item.ID 956 _Item.Name '_Entity_natural_src.Fraction' _Item.Description ; Indicate cellular location here such as cytoplasm periplasm extracellular etc. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Secretion _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Secretion' _Item.ID 957 _Item.Name '_Entity_natural_src.Secretion' _Item.Description ; If the molecule was isolated from a particular secretion such as saliva urine or venom this is stated here. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_natural_src.Secretion' saliva ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' semen ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' 'vaginal fluid' ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' venom ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' 'hen egg white' ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' 'sensillum lymph' ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' milk ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' blood ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' dermal ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' urine ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' extracellular ? 957 78 NMR-STAR '_Entity_natural_src.Secretion' cement ? 957 78 NMR-STAR stop_ save_ save__Entity_natural_src.Plasmid _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Plasmid' _Item.ID 958 _Item.Name '_Entity_natural_src.Plasmid' _Item.Description ; The name for a plasmid that naturally contains the gene for the biopolymer. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Plasmid_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Plasmid_details' _Item.ID 959 _Item.Name '_Entity_natural_src.Plasmid_details' _Item.Description ; Text details describing the plasmid that is the natural source for the molecular entity. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_natural_src.Gene_mnemonic _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Gene_mnemonic' _Item.ID 960 _Item.Name '_Entity_natural_src.Gene_mnemonic' _Item.Description ; Name of the gene that is the source of the biopolymer ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_natural_src.Dev_stage _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Dev_stage' _Item.ID 961 _Item.Name '_Entity_natural_src.Dev_stage' _Item.Description ; For molecular entities that are present in an organism only at a define stage in the development of the organism, the stage they are present. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_natural_src.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Details' _Item.ID 962 _Item.Name '_Entity_natural_src.Details' _Item.Description ; Give any other remarks or comments on the biological source which may be relevant. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_natural_src.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Citation_ID' _Item.ID 963 _Item.Name '_Entity_natural_src.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_natural_src.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Citation_label' _Item.ID 964 _Item.Name '_Entity_natural_src.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entity_natural_src.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Sf_ID' _Item.ID 965 _Item.Name '_Entity_natural_src.Sf_ID' _Item.Description ; Pointer to '_Entity_natural_src_list.Sf_ID' ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_natural_src.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Entry_ID' _Item.ID 966 _Item.Name '_Entity_natural_src.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_natural_src.Entity_natural_src_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_natural_src.Entity_natural_src_list_ID' _Item.ID 967 _Item.Name '_Entity_natural_src.Entity_natural_src_list_ID' _Item.Description ; Pointer to '_Entity_natural_src_list.ID' ; _Item.Category_ID 78 _Item.Category_label $Entity_natural_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Natural_source_db _Category.Sf_category category_description _Category.Sf_framecode Natural_source_db _Category.ID 79 _Category.Name 'Natural_source_db' _category.Description ; Items in the natural_source_db category define links to databases that contain information about the organisms and entities that are the natural source for molecular entities. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 12 _Category.Category_group_name natural_source _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 968 $_Natural_source_db.Entity_natural_src_ID '_Natural_source_db.Entity_natural_src_ID' 972 $_Natural_source_db.Database_code '_Natural_source_db.Database_code' 974 $_Natural_source_db.Entry_code '_Natural_source_db.Entry_code' 980 $_Natural_source_db.Entry_ID '_Natural_source_db.Entry_ID' 981 $_Natural_source_db.Entity_natural_src_list_ID '_Natural_source_db.Entity_natural_src_list_ID' 79 NMR-STAR stop_ save_ save__Natural_source_db.Entity_natural_src_ID _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entity_natural_src_ID' _Item.ID 968 _Item.Name '_Natural_source_db.Entity_natural_src_ID' _Item.Description ; Pointer to '_Entity_natural_src.ID' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Natural_source_db.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entity_ID' _Item.ID 969 _Item.Name '_Natural_source_db.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Natural_source_db.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entity_label' _Item.ID 970 _Item.Name '_Natural_source_db.Entity_label' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Natural_source_db.Entity_chimera_segment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entity_chimera_segment_ID' _Item.ID 971 _Item.Name '_Natural_source_db.Entity_chimera_segment_ID' _Item.Description ; Pointer to '_Entity_chimera_segment.ID' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Natural_source_db.Database_code _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Database_code' _Item.ID 972 _Item.Name '_Natural_source_db.Database_code' _Item.Description ; Code or abbreviation used by a database organization. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Natural_source_db.Database_type _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Database_type' _Item.ID 973 _Item.Name '_Natural_source_db.Database_type' _Item.Description ; The kind of database where the data are located. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Natural_source_db.Entry_code _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entry_code' _Item.ID 974 _Item.Name '_Natural_source_db.Entry_code' _Item.Description ; The accession code assigned to the entry by the database. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Natural_source_db.Entry_type _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entry_type' _Item.ID 975 _Item.Name '_Natural_source_db.Entry_type' _Item.Description ; Defines whether the current version of the entry is the original version or an updated version. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Natural_source_db.ORF_code _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.ORF_code' _Item.ID 976 _Item.Name '_Natural_source_db.ORF_code' _Item.Description ; Code assigned to the open reading frame coding for a protein or nucleic acid. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Natural_source_db.Gene_locus_code _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Gene_locus_code' _Item.ID 977 _Item.Name '_Natural_source_db.Gene_locus_code' _Item.Description ; Unique code assigned to the locus for the gene in the genome. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Natural_source_db.Gene_cDNA_code _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Gene_cDNA_code' _Item.ID 978 _Item.Name '_Natural_source_db.Gene_cDNA_code' _Item.Description ; The unique code assigned to a cDNA sequence for the gene. ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Natural_source_db.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Sf_ID' _Item.ID 979 _Item.Name '_Natural_source_db.Sf_ID' _Item.Description ; Pointer to '_Entity_natural_src_list.Sf_ID' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Natural_source_db.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entry_ID' _Item.ID 980 _Item.Name '_Natural_source_db.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Natural_source_db.Entity_natural_src_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Natural_source_db.Entity_natural_src_list_ID' _Item.ID 981 _Item.Name '_Natural_source_db.Entity_natural_src_list_ID' _Item.Description ; Pointer to '_Entity_natural_src_list.ID' ; _Item.Category_ID 79 _Item.Category_label $Natural_source_db _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_experimental_src_list _Category.Sf_category category_description _Category.Sf_framecode Entity_experimental_src_list _Category.ID 80 _Category.Name 'Entity_experimental_src_list' _category.Description ; Items in the entity_experimental_src_list category define an entity experimental source save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 13 _Category.Category_group_name experimental_source _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 984 $_Entity_experimental_src_list.Entry_ID '_Entity_experimental_src_list.Entry_ID' 986 $_Entity_experimental_src_list.ID '_Entity_experimental_src_list.ID' 80 NMR-STAR stop_ save_ save__Entity_experimental_src_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src_list.Sf_category' _Item.ID 982 _Item.Name '_Entity_experimental_src_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 80 _Item.Category_label $Entity_experimental_src_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_experimental_src_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src_list.Sf_framecode' _Item.ID 983 _Item.Name '_Entity_experimental_src_list.Sf_framecode' _Item.Description ; The framecode for the save frame where the experimental sources for each entity are listed. ; _Item.Category_ID 80 _Item.Category_label $Entity_experimental_src_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_experimental_src_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src_list.Entry_ID' _Item.ID 984 _Item.Name '_Entity_experimental_src_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID'. ; _Item.Category_ID 80 _Item.Category_label $Entity_experimental_src_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_experimental_src_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src_list.Sf_ID' _Item.ID 985 _Item.Name '_Entity_experimental_src_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 80 _Item.Category_label $Entity_experimental_src_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_experimental_src_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src_list.ID' _Item.ID 986 _Item.Name '_Entity_experimental_src_list.ID' _Item.Description ; An integer value that uniquely identifies one Entity_experimental_src save frame from all other save frames of this category. ; _Item.Category_ID 80 _Item.Category_label $Entity_experimental_src_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save_Entity_experimental_src _Category.Sf_category category_description _Category.Sf_framecode Entity_experimental_src _Category.ID 81 _Category.Name 'Entity_experimental_src' _category.Description ; Items in the entity_experimental_src category describe the biological system or other means used to produce a molecular entity for experimental purposes. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 13 _Category.Category_group_name experimental_source _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 987 $_Entity_experimental_src.ID '_Entity_experimental_src.ID' 1022 $_Entity_experimental_src.Entry_ID '_Entity_experimental_src.Entry_ID' 1023 $_Entity_experimental_src.Entity_experimental_src_list_ID '_Entity_experimental_src.Entity_experimental_src_list_ID' 81 NMR-STAR stop_ save_ save__Entity_experimental_src.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.ID' _Item.ID 987 _Item.Name '_Entity_experimental_src.ID' _Item.Description ; An integer value that uniquely identifies each experimental source in the list of experimental sources. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_experimental_src.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Entity_ID' _Item.ID 988 _Item.Name '_Entity_experimental_src.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_experimental_src.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Entity_label' _Item.ID 989 _Item.Name '_Entity_experimental_src.Entity_label' _Item.Description ; Pointer to a save frame of the category 'entity.' This is the label assigned to the molecular entity by the author when completing the molecular entity portion of the deposition. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_experimental_src.Entity_chimera_segment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Entity_chimera_segment_ID' _Item.ID 990 _Item.Name '_Entity_experimental_src.Entity_chimera_segment_ID' _Item.Description ; Pointer to '_Entity_chimera_segment.ID' ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_experimental_src.Production_method _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Production_method' _Item.ID 991 _Item.Name '_Entity_experimental_src.Production_method' _Item.Description ; The laboratory method used to obtain the biopolymers studied. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_experimental_src.Production_method' 'recombinant technology' ? 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'purified from the natural source' 'Obtained from the native organism that produces the biomolecule in nature.' 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'chemical synthesis' 'Select this option if the molecule was generated primarily by chemical synthesis techniques.' 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'cell free synthesis' ? 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'enzymatic semisynthesis' ? 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'reverse transcriptase' 'Method used to synthesize RNA.' 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'obtained from a collaborator' 'Select this option if the molecule was obtained from a collaborator.' 991 81 NMR-STAR '_Entity_experimental_src.Production_method' 'obtained from a vendor' ? 991 81 NMR-STAR '_Entity_experimental_src.Production_method' na 'not available' 991 81 NMR-STAR stop_ save_ save__Entity_experimental_src.Host_org_scientific_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_scientific_name' _Item.ID 992 _Item.Name '_Entity_experimental_src.Host_org_scientific_name' _Item.Description ; The scientific name of the organism that served as host for the production of the entity. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_experimental_src.Host_org_scientific_name' 'Escherichia coli' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'Aspergillus niger' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'Cricetulus griseus' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'Desulfovibrio desulfuricans' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'Pichia pastoris' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'Saccharomyces cerevisiae' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'Spodoptera frugiperda' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'wheat germ - cell free' ? 992 81 NMR-STAR '_Entity_experimental_src.Host_org_scientific_name' 'E. coli - cell free' ? 992 81 NMR-STAR stop_ save_ save__Entity_experimental_src.Host_org_name_common _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_name_common' _Item.ID 993 _Item.Name '_Entity_experimental_src.Host_org_name_common' _Item.Description ; Common name for the organism used as a host in producing a biopolymer. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_details' _Item.ID 994 _Item.Name '_Entity_experimental_src.Host_org_details' _Item.Description ; Additional information or comments regarding the host organism. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_NCBI_taxonomy_ID' _Item.ID 995 _Item.Name '_Entity_experimental_src.Host_org_NCBI_taxonomy_ID' _Item.Description ; Unique ID assigned by the NCBI to organisms. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Entity_experimental_src.Host_org_genus _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_genus' _Item.ID 996 _Item.Name '_Entity_experimental_src.Host_org_genus' _Item.Description ; Genus of the host organism ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_experimental_src.Host_org_genus' Escherichia ? 996 81 NMR-STAR stop_ save_ save__Entity_experimental_src.Host_org_species _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_species' _Item.ID 997 _Item.Name '_Entity_experimental_src.Host_org_species' _Item.Description ; Scientific name for the species of the organism as defined by NCBI taxonomists whenever possible. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_experimental_src.Host_org_species' coli ? 997 81 NMR-STAR stop_ save_ save__Entity_experimental_src.Host_org_strain _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_strain' _Item.ID 998 _Item.Name '_Entity_experimental_src.Host_org_strain' _Item.Description ; The scientific name for the strain of an organism. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_variant _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_variant' _Item.ID 999 _Item.Name '_Entity_experimental_src.Host_org_variant' _Item.Description ; Name used to classify the variant of an organism. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_subvariant _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_subvariant' _Item.ID 1000 _Item.Name '_Entity_experimental_src.Host_org_subvariant' _Item.Description ; In the hierarchy of organism nomenclature, the name or code designating a subvariant of the organism used to express the entity. These may specific hosts designed with mutations to knock out proteases or other enzymes deleterious to the production of the ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_organ _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_organ' _Item.ID 1001 _Item.Name '_Entity_experimental_src.Host_org_organ' _Item.Description ; Cell lines used as hosts in producing macromolecules often originate from a particular organ (e.g. chinese hamster ovary cells). If this is true for the system used in this study please enter the name of the organ that was the source for the cell line us ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_tissue _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_tissue' _Item.ID 1002 _Item.Name '_Entity_experimental_src.Host_org_tissue' _Item.Description ; The tissue from an organism that is the natural or experimental source of the molecule. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_tissue_fraction _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_tissue_fraction' _Item.ID 1003 _Item.Name '_Entity_experimental_src.Host_org_tissue_fraction' _Item.Description ; The fraction of the tissue which expressed the molecule. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_cell_line _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_cell_line' _Item.ID 1004 _Item.Name '_Entity_experimental_src.Host_org_cell_line' _Item.Description ; The name for the cell line used in producing the biopolymer. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_cell_type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_cell_type' _Item.ID 1005 _Item.Name '_Entity_experimental_src.Host_org_cell_type' _Item.Description ; Specific type of cell if used to produce the biopolymer. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_cellular_location _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_cellular_location' _Item.ID 1006 _Item.Name '_Entity_experimental_src.Host_org_cellular_location' _Item.Description ; Identifies the location inside (or outside) the cell which expressed the molecule. Proteins may be excreted from a production host or produced in the periplasmic space as opposed to the cytoplasm. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_organelle _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_organelle' _Item.ID 1007 _Item.Name '_Entity_experimental_src.Host_org_organelle' _Item.Description ; Specific organelle which expressed the molecule. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_gene _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_gene' _Item.ID 1008 _Item.Name '_Entity_experimental_src.Host_org_gene' _Item.Description ; Specific gene which expressed the molecule. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_culture_collection _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_culture_collection' _Item.ID 1009 _Item.Name '_Entity_experimental_src.Host_org_culture_collection' _Item.Description ; Culture collection of the expression system. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_ATCC_number _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_ATCC_number' _Item.ID 1010 _Item.Name '_Entity_experimental_src.Host_org_ATCC_number' _Item.Description ; Organism culture number defined in the American Type Culture Collection. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Vector_type _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Vector_type' _Item.ID 1011 _Item.Name '_Entity_experimental_src.Vector_type' _Item.Description ; The kind of biological object used to insert a gene into a host organism for the production of a biological molecule studied in the entry. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Entity_experimental_src.Vector_type' plasmid ? 1011 81 NMR-STAR '_Entity_experimental_src.Vector_type' baculovirus ? 1011 81 NMR-STAR '_Entity_experimental_src.Vector_type' 'other virus' ? 1011 81 NMR-STAR '_Entity_experimental_src.Vector_type' cosmid ? 1011 81 NMR-STAR stop_ save_ save__Entity_experimental_src.PDBview_host_org_vector_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.PDBview_host_org_vector_name' _Item.ID 1012 _Item.Name '_Entity_experimental_src.PDBview_host_org_vector_name' _Item.Description ; The name of a vector used to insert a gene into a eukaryotic host to express the biopolymer used in the experiments. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.PDBview_plasmid_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.PDBview_plasmid_name' _Item.ID 1013 _Item.Name '_Entity_experimental_src.PDBview_plasmid_name' _Item.Description ; The name of a plasmid used in a bacterial system to generate the protein or nucleic acid used in the experiments. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Vector_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Vector_name' _Item.ID 1014 _Item.Name '_Entity_experimental_src.Vector_name' _Item.Description ; Name given to the vector used to insert a gene into a host organism. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Vector_details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Vector_details' _Item.ID 1015 _Item.Name '_Entity_experimental_src.Vector_details' _Item.Description ; Text comments regarding the vector used to produce the biopolymer. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_experimental_src.Vendor_name _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Vendor_name' _Item.ID 1016 _Item.Name '_Entity_experimental_src.Vendor_name' _Item.Description ; Commercial or academic vendor that supplied the defined item. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Entity_experimental_src.Host_org_dev_stage _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Host_org_dev_stage' _Item.ID 1017 _Item.Name '_Entity_experimental_src.Host_org_dev_stage' _Item.Description ; A string to indicate the life-cycle or cell development cycle in which the gene is expressed and the mature protein is active. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_experimental_src.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Details' _Item.ID 1018 _Item.Name '_Entity_experimental_src.Details' _Item.Description ; Additional information relevant to the data in the current save frame or to a specific data item is entered as a value to this tag. The information entered must supplement information already present. Whenever possible data should associated with specif ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_experimental_src.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Citation_ID' _Item.ID 1019 _Item.Name '_Entity_experimental_src.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_experimental_src.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Citation_label' _Item.ID 1020 _Item.Name '_Entity_experimental_src.Citation_label' _Item.Description ; Pointer to a save frame of the category 'citation.' The citation would describe how, for example, the vector was constructed and the host organism picked. ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Entity_experimental_src.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Sf_ID' _Item.ID 1021 _Item.Name '_Entity_experimental_src.Sf_ID' _Item.Description ; Pointer to '_Entity_experimental_src_list.Sf_ID' ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_experimental_src.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Entry_ID' _Item.ID 1022 _Item.Name '_Entity_experimental_src.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_experimental_src.Entity_experimental_src_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_experimental_src.Entity_experimental_src_list_ID' _Item.ID 1023 _Item.Name '_Entity_experimental_src.Entity_experimental_src_list_ID' _Item.Description ; Pointer to '_Entity_experimental_src_list.ID' ; _Item.Category_ID 81 _Item.Category_label $Entity_experimental_src _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_comp _Category.Sf_category category_description _Category.Sf_framecode Chem_comp _Category.ID 82 _Category.Name 'Chem_comp' _category.Description ; Items in the chem_comp category describe the chemical components that make up a molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1026 $_Chem_comp.Entry_ID '_Chem_comp.Entry_ID' 1028 $_Chem_comp.ID '_Chem_comp.ID' 82 NMR-STAR stop_ save_ save__Chem_comp.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Sf_category' _Item.ID 1024 _Item.Name '_Chem_comp.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Sf_framecode' _Item.ID 1025 _Item.Name '_Chem_comp.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chem_comp.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Entry_ID' _Item.ID 1026 _Item.Name '_Chem_comp.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Sf_ID' _Item.ID 1027 _Item.Name '_Chem_comp.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_comp.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.ID' _Item.ID 1028 _Item.Name '_Chem_comp.ID' _Item.Description ; A code that uniquely identifies the chemical component from all other chemical components in the entry. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'code' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_comp.Provenance _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Provenance' _Item.ID 1029 _Item.Name '_Chem_comp.Provenance' _Item.Description ; The tag value defines the source of the data used to construct the chem_comp record. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Provenance' BMRB ? 1029 82 NMR-STAR '_Chem_comp.Provenance' PDB ? 1029 82 NMR-STAR '_Chem_comp.Provenance' PubChem ? 1029 82 NMR-STAR stop_ save_ save__Chem_comp.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Name' _Item.ID 1030 _Item.Name '_Chem_comp.Name' _Item.Description ; A common name for the ligand or non-standard residue. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Type' _Item.ID 1031 _Item.Name '_Chem_comp.Type' _Item.Description ; Chemical components can be of two molecular types either a complete chemical compound or a fragment of a complete chemical compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Type' 'D-PEPTIDE LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-PEPTIDE LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'D-PEPTIDE NH3 AMINO TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-PEPTIDE NH3 AMINO TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'D-PEPTIDE COOH CARBOXY TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-PEPTIDE COOH CARBOXY TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'DNA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'RNA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-RNA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-DNA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'DNA OH 5 PRIME TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'RNA OH 5 PRIME TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'DNA OH 3 PRIME TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'RNA OH 3 PRIME TERMINUS' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'D-SACCHARIDE 1,4 AND 1,4 LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-SACCHARIDE 1,4 AND 1,4 LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'D-SACCHARIDE 1,4 AND 1,6 LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-SACCHARIDE 1,4 AND 1,6 LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' L-SACCHARIDE ? 1031 82 NMR-STAR '_Chem_comp.Type' D-SACCHARIDE ? 1031 82 NMR-STAR '_Chem_comp.Type' SACCHARIDE ? 1031 82 NMR-STAR '_Chem_comp.Type' NON-POLYMER ? 1031 82 NMR-STAR '_Chem_comp.Type' 'PEPTIDE LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' PEPTIDE-LIKE ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-GAMMA-PEPTIDE, C-DELTA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'D-GAMMA-PEPTIDE, C-DELTA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'L-BETA-PEPTIDE, C-GAMMA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' 'D-BETA-PEPTIDE, C-GAMMA LINKING' ? 1031 82 NMR-STAR '_Chem_comp.Type' OTHER ? 1031 82 NMR-STAR stop_ save_ save__Chem_comp.BMRB_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.BMRB_code' _Item.ID 1032 _Item.Name '_Chem_comp.BMRB_code' _Item.Description ; Twelve character code assigned to the chemical component by BMRB. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.PDB_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.PDB_code' _Item.ID 1033 _Item.Name '_Chem_comp.PDB_code' _Item.Description ; Three character code assigned to the chemical component by the PDB. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Ambiguous_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Ambiguous_flag' _Item.ID 1034 _Item.Name '_Chem_comp.Ambiguous_flag' _Item.Description ; A preliminary classification used by PDB to indicate that the chemistry of this component while described as clearly as possible is still ambiguous. Software tools may not be able to process this component definition. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Initial_date _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Initial_date' _Item.ID 1035 _Item.Name '_Chem_comp.Initial_date' _Item.Description ; Date the chemical component was added to the database. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Chem_comp.Modified_date _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Modified_date' _Item.ID 1036 _Item.Name '_Chem_comp.Modified_date' _Item.Description ; Date that the component was last modified. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Chem_comp.Release_status _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Release_status' _Item.ID 1037 _Item.Name '_Chem_comp.Release_status' _Item.Description ; This data item holds the current release status for the component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Release_status' REL Released 1037 82 NMR-STAR '_Chem_comp.Release_status' HOLD 'On hold until yyyy-mm-dd' 1037 82 NMR-STAR '_Chem_comp.Release_status' HPUB 'On hold until publication' 1037 82 NMR-STAR '_Chem_comp.Release_status' OBS 'Entry has been obsoleted and replaced by another entry' 1037 82 NMR-STAR '_Chem_comp.Release_status' DEL 'Entry has been deleted' 1037 82 NMR-STAR stop_ save_ save__Chem_comp.Replaced_by _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Replaced_by' _Item.ID 1038 _Item.Name '_Chem_comp.Replaced_by' _Item.Description ; Identifies the _chem_comp.id of the new component that has replaced this component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'ucode' save_ save__Chem_comp.Replaces _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Replaces' _Item.ID 1039 _Item.Name '_Chem_comp.Replaces' _Item.Description ; Identifies the _chem_comp.id of the component this entry replaces. Converse of _replaced_by. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'uline' save_ save__Chem_comp.One_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.One_letter_code' _Item.ID 1040 _Item.Name '_Chem_comp.One_letter_code' _Item.Description ; For standard polymer components, the one-letter code for the component. If there is not a standard one-letter code for this component, or if this is a non-polymer component, the one-letter code should be given as 'X'. This code may be preceded by a '+' ch ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'uchar1' save_ save__Chem_comp.Three_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Three_letter_code' _Item.ID 1041 _Item.Name '_Chem_comp.Three_letter_code' _Item.Description ; For standard polymer components, the three-letter code for the component. If there is not a standard three-letter code for this component, or if this is a non-polymer component, the three-letter code should be given as 'UNK'. This code may be preceded by ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'uchar3' save_ save__Chem_comp.Number_atoms_all _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Number_atoms_all' _Item.ID 1042 _Item.Name '_Chem_comp.Number_atoms_all' _Item.Description ; The total number of atoms in the component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp.Number_atoms_nh _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Number_atoms_nh' _Item.ID 1043 _Item.Name '_Chem_comp.Number_atoms_nh' _Item.Description ; The number of non-hydrogen atoms in the component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp.Atom_nomenclature_source _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Atom_nomenclature_source' _Item.ID 1044 _Item.Name '_Chem_comp.Atom_nomenclature_source' _Item.Description ; The code assigned by PubChem to the chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Atom_nomenclature_source' ALATIS ? 1044 82 NMR-STAR '_Chem_comp.Atom_nomenclature_source' BMRB ? 1044 82 NMR-STAR stop_ save_ save__Chem_comp.PubChem_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.PubChem_code' _Item.ID 1045 _Item.Name '_Chem_comp.PubChem_code' _Item.Description ; The substance ID code assigned to the compound by the PubChem database. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Subcomponent_list _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Subcomponent_list' _Item.ID 1046 _Item.Name '_Chem_comp.Subcomponent_list' _Item.Description ; The list of subcomponents contained in this component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.InChI_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.InChI_code' _Item.ID 1047 _Item.Name '_Chem_comp.InChI_code' _Item.Description ; Enter the InChI code that uniquely describes the chemical structure of the compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Mon_nstd_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Mon_nstd_flag' _Item.ID 1048 _Item.Name '_Chem_comp.Mon_nstd_flag' _Item.Description ; A flag defining the non-standard status of the chemical component. A value of Y indicates that the compound is a standard molecule. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp.Mon_nstd_class _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Mon_nstd_class' _Item.ID 1049 _Item.Name '_Chem_comp.Mon_nstd_class' _Item.Description ; A description of the class of a nonstandard monomer if the nonstandard monomer represents a modification of a standard monomer. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Mon_nstd_details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Mon_nstd_details' _Item.ID 1050 _Item.Name '_Chem_comp.Mon_nstd_details' _Item.Description ; A description of special details of a nonstandard monomer. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Mon_nstd_parent _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Mon_nstd_parent' _Item.ID 1051 _Item.Name '_Chem_comp.Mon_nstd_parent' _Item.Description ; The name of the parent monomer of the nonstandard monomer, if the nonstandard monomer represents a modification of a standard monomer. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Mon_nstd_parent_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Mon_nstd_parent_comp_ID' _Item.ID 1052 _Item.Name '_Chem_comp.Mon_nstd_parent_comp_ID' _Item.Description ; The identifier for the parent component of the nonstandard component. May be a comma-separated list if this component is derived from multiple components. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'uline' save_ save__Chem_comp.Std_deriv_one_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Std_deriv_one_letter_code' _Item.ID 1053 _Item.Name '_Chem_comp.Std_deriv_one_letter_code' _Item.Description ; The one letter code for the standard monomer from which the chemical component is derived. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Std_deriv_three_letter_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Std_deriv_three_letter_code' _Item.ID 1054 _Item.Name '_Chem_comp.Std_deriv_three_letter_code' _Item.Description ; The three letter code for the standard monomer from which the chemical component is derived. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Std_deriv_BMRB_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Std_deriv_BMRB_code' _Item.ID 1055 _Item.Name '_Chem_comp.Std_deriv_BMRB_code' _Item.Description ; The BMRB code for the standard monomer from which the chemical component is derived. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Std_deriv_PDB_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Std_deriv_PDB_code' _Item.ID 1056 _Item.Name '_Chem_comp.Std_deriv_PDB_code' _Item.Description ; The PDB code for the standard monomer from which the chemical component is derived. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp.Std_deriv_chem_comp_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Std_deriv_chem_comp_name' _Item.ID 1057 _Item.Name '_Chem_comp.Std_deriv_chem_comp_name' _Item.Description ; The name of the standard chemical component from which the chemical component was derived. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Synonyms _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Synonyms' _Item.ID 1058 _Item.Name '_Chem_comp.Synonyms' _Item.Description ; Synonym list for the component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Formal_charge _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formal_charge' _Item.ID 1059 _Item.Name '_Chem_comp.Formal_charge' _Item.Description ; The formal electrical charge on the chemical compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Formal_charge' 5+ ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 4+ ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 3+ ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 2+ ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 1+ ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 0 ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 1- ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 2- ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 3- ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 4- ? 1059 82 NMR-STAR '_Chem_comp.Formal_charge' 5- ? 1059 82 NMR-STAR stop_ save_ save__Chem_comp.Paramagnetic _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Paramagnetic' _Item.ID 1060 _Item.Name '_Chem_comp.Paramagnetic' _Item.Description ; A boolean flag that defines the paramagnetic status of the chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp.Aromatic _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Aromatic' _Item.ID 1061 _Item.Name '_Chem_comp.Aromatic' _Item.Description ; A boolean flag that defines the aromatic status of the chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp.Formula _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formula' _Item.ID 1062 _Item.Name '_Chem_comp.Formula' _Item.Description ; The empirical chemical formula for the chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Formula_weight _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formula_weight' _Item.ID 1063 _Item.Name '_Chem_comp.Formula_weight' _Item.Description ; Formula mass in daltons of the chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp.Formula_mono_iso_wt_nat _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formula_mono_iso_wt_nat' _Item.ID 1064 _Item.Name '_Chem_comp.Formula_mono_iso_wt_nat' _Item.Description ; Mono-isotopic formula mass calculated using the most abundant naturally occuring isotope for each atom. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp.Formula_mono_iso_wt_13C _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formula_mono_iso_wt_13C' _Item.ID 1065 _Item.Name '_Chem_comp.Formula_mono_iso_wt_13C' _Item.Description ; Mono-isotopic formula mass calculated using the most abundant naturally occuring isotope for each atom except carbon, where the mass of the 13C isotope is used. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp.Formula_mono_iso_wt_15N _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formula_mono_iso_wt_15N' _Item.ID 1066 _Item.Name '_Chem_comp.Formula_mono_iso_wt_15N' _Item.Description ; Mono-isotopic formula mass calculated using the most abundant naturally occuring isotope for each atom except nitrogen, where the mass of the 15N isotope is used. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp.Formula_mono_iso_wt_13C_15N _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Formula_mono_iso_wt_13C_15N' _Item.ID 1067 _Item.Name '_Chem_comp.Formula_mono_iso_wt_13C_15N' _Item.Description ; Mono-isotopic formula mass calculated using the most abundant naturally occuring isotope for each atom except carbon and nitrogen, where the mass of the 13C and 15N isotopes are used. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp.Image_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Image_file_name' _Item.ID 1068 _Item.Name '_Chem_comp.Image_file_name' _Item.Description ; Name of the file that contains an image of the chemical compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Image_file_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Image_file_format' _Item.ID 1069 _Item.Name '_Chem_comp.Image_file_format' _Item.Description ; Type of image file format ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Image_file_format' gif ? 1069 82 NMR-STAR '_Chem_comp.Image_file_format' jpeg ? 1069 82 NMR-STAR '_Chem_comp.Image_file_format' pdf ? 1069 82 NMR-STAR '_Chem_comp.Image_file_format' png ? 1069 82 NMR-STAR '_Chem_comp.Image_file_format' ps ? 1069 82 NMR-STAR '_Chem_comp.Image_file_format' tiff ? 1069 82 NMR-STAR '_Chem_comp.Image_file_format' 'not applicable' ? 1069 82 NMR-STAR stop_ save_ save__Chem_comp.Topo_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Topo_file_name' _Item.ID 1070 _Item.Name '_Chem_comp.Topo_file_name' _Item.Description ; Name of the file containing the information about the topology of the chemical compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Topo_file_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Topo_file_format' _Item.ID 1071 _Item.Name '_Chem_comp.Topo_file_format' _Item.Description ; The type of format for the file containing the topology information for the chemical compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Struct_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Struct_file_name' _Item.ID 1072 _Item.Name '_Chem_comp.Struct_file_name' _Item.Description ; Name of a structure file attached to the entry for a chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Struct_file_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Struct_file_format' _Item.ID 1073 _Item.Name '_Chem_comp.Struct_file_format' _Item.Description ; File format for the attached structure file. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Stereochem_param_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Stereochem_param_file_name' _Item.ID 1074 _Item.Name '_Chem_comp.Stereochem_param_file_name' _Item.Description ; Name of a file that contains the stereochemical parameters for the chemical component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Stereochem_param_file_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Stereochem_param_file_format' _Item.ID 1075 _Item.Name '_Chem_comp.Stereochem_param_file_format' _Item.Description ; File format for the attached stereochemical parameter file. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Model_details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Model_details' _Item.ID 1076 _Item.Name '_Chem_comp.Model_details' _Item.Description ; A description of special aspects of the generation of the coordinates for the model of the component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Model_erf _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Model_erf' _Item.ID 1077 _Item.Name '_Chem_comp.Model_erf' _Item.Description ; A pointer to an external reference file from which the atomic ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Model_source _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Model_source' _Item.ID 1078 _Item.Name '_Chem_comp.Model_source' _Item.Description ; The source of the coordinates for the model of the component. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Model_coordinates_details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Model_coordinates_details' _Item.ID 1079 _Item.Name '_Chem_comp.Model_coordinates_details' _Item.Description ; Provides additional details about the model coordinates in the component definition. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Model_coordinates_missing_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Model_coordinates_missing_flag' _Item.ID 1080 _Item.Name '_Chem_comp.Model_coordinates_missing_flag' _Item.Description ; This data item identifies if model coordinates are missing in this definition. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'ucode' save_ save__Chem_comp.Ideal_coordinates_details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Ideal_coordinates_details' _Item.ID 1081 _Item.Name '_Chem_comp.Ideal_coordinates_details' _Item.Description ; Identifies the source of the ideal coordinates in the component definition. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.Ideal_coordinates_missing_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Ideal_coordinates_missing_flag' _Item.ID 1082 _Item.Name '_Chem_comp.Ideal_coordinates_missing_flag' _Item.Description ; Identifies if ideal coordinates are missing in this definition. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'ucode' save_ save__Chem_comp.Model_coordinates_db_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Model_coordinates_db_code' _Item.ID 1083 _Item.Name '_Chem_comp.Model_coordinates_db_code' _Item.Description ; This item identifies the PDB database code from which the atom model coordinates were obtained. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Processing_site _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Processing_site' _Item.ID 1084 _Item.Name '_Chem_comp.Processing_site' _Item.Description ; This data item identifies the deposition site that processed this chemical component defintion. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Processing_site' EBI ? 1084 82 NMR-STAR '_Chem_comp.Processing_site' MSD ? 1084 82 NMR-STAR '_Chem_comp.Processing_site' PDBE ? 1084 82 NMR-STAR '_Chem_comp.Processing_site' PDBJ ? 1084 82 NMR-STAR '_Chem_comp.Processing_site' RCSB ? 1084 82 NMR-STAR stop_ save_ save__Chem_comp.Vendor _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Vendor' _Item.ID 1085 _Item.Name '_Chem_comp.Vendor' _Item.Description ; Name of the company where the compound was purchased. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp.Vendor' Sigma ? 1085 82 NMR-STAR '_Chem_comp.Vendor' Aldrich ? 1085 82 NMR-STAR '_Chem_comp.Vendor' Sigma/Aldrich ? 1085 82 NMR-STAR stop_ save_ save__Chem_comp.Vendor_product_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Vendor_product_code' _Item.ID 1086 _Item.Name '_Chem_comp.Vendor_product_code' _Item.Description ; The product code assigned to the compound by the vender where the compound was purchased. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.Details' _Item.ID 1087 _Item.Name '_Chem_comp.Details' _Item.Description ; Additional text information that is relevant to the data in the current save frame or to a specific data item in the save frame. This tag is often used to include information that cannot be associated with a specific tag in the save frame, but is importa ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp.DB_query_date _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.DB_query_date' _Item.ID 1088 _Item.Name '_Chem_comp.DB_query_date' _Item.Description ; Date when the last query was carried out to search for information on the chemical compound. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Chem_comp.DB_last_query_revised_last_date _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp.DB_last_query_revised_last_date' _Item.ID 1089 _Item.Name '_Chem_comp.DB_last_query_revised_last_date' _Item.Description ; Date the last time new information for the compound was found when a query was executed. ; _Item.Category_ID 82 _Item.Category_label $Chem_comp _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save_Chem_comp_common_name _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_common_name _Category.ID 83 _Category.Name 'Chem_comp_common_name' _category.Description ; Items in the chem_comp_common_name category provide a list of common names for a chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1090 $_Chem_comp_common_name.Name '_Chem_comp_common_name.Name' 1091 $_Chem_comp_common_name.Type '_Chem_comp_common_name.Type' 1093 $_Chem_comp_common_name.Entry_ID '_Chem_comp_common_name.Entry_ID' 1094 $_Chem_comp_common_name.Comp_ID '_Chem_comp_common_name.Comp_ID' 83 NMR-STAR stop_ save_ save__Chem_comp_common_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_common_name.Name' _Item.ID 1090 _Item.Name '_Chem_comp_common_name.Name' _Item.Description ; A synonym for the chemical component or monomer. ; _Item.Category_ID 83 _Item.Category_label $Chem_comp_common_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_common_name.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_common_name.Type' _Item.ID 1091 _Item.Name '_Chem_comp_common_name.Type' _Item.Description ; The type of name given to the compound (abbreviation, etc.). ; _Item.Category_ID 83 _Item.Category_label $Chem_comp_common_name _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_common_name.Type' abbreviation ? 1091 83 NMR-STAR '_Chem_comp_common_name.Type' name ? 1091 83 NMR-STAR '_Chem_comp_common_name.Type' na 'not available' 1091 83 NMR-STAR stop_ save_ save__Chem_comp_common_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_common_name.Sf_ID' _Item.ID 1092 _Item.Name '_Chem_comp_common_name.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 83 _Item.Category_label $Chem_comp_common_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_common_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_common_name.Entry_ID' _Item.ID 1093 _Item.Name '_Chem_comp_common_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 83 _Item.Category_label $Chem_comp_common_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_common_name.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_common_name.Comp_ID' _Item.ID 1094 _Item.Name '_Chem_comp_common_name.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 83 _Item.Category_label $Chem_comp_common_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_bio_function _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_bio_function _Category.ID 84 _Category.Name 'Chem_comp_bio_function' _category.Description ; Items in the chem_comp_bio_function category provide a list of biological functions for the chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1095 $_Chem_comp_bio_function.Biological_function '_Chem_comp_bio_function.Biological_function' 1097 $_Chem_comp_bio_function.Entry_ID '_Chem_comp_bio_function.Entry_ID' 1098 $_Chem_comp_bio_function.Comp_ID '_Chem_comp_bio_function.Comp_ID' 84 NMR-STAR stop_ save_ save__Chem_comp_bio_function.Biological_function _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bio_function.Biological_function' _Item.ID 1095 _Item.Name '_Chem_comp_bio_function.Biological_function' _Item.Description ; A specific function carried out by the molecular entity in its native biological system. ; _Item.Category_ID 84 _Item.Category_label $Chem_comp_bio_function _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Chem_comp_bio_function.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bio_function.Sf_ID' _Item.ID 1096 _Item.Name '_Chem_comp_bio_function.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 84 _Item.Category_label $Chem_comp_bio_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_bio_function.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bio_function.Entry_ID' _Item.ID 1097 _Item.Name '_Chem_comp_bio_function.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 84 _Item.Category_label $Chem_comp_bio_function _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_bio_function.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bio_function.Comp_ID' _Item.ID 1098 _Item.Name '_Chem_comp_bio_function.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 84 _Item.Category_label $Chem_comp_bio_function _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_struct_descriptor _Category.Sf_category category_description _Category.Sf_framecode Chem_struct_descriptor _Category.ID 85 _Category.Name 'Chem_struct_descriptor' _category.Description ; Items in the chem_struct_descriptor category define chemical structures that exist in the chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1099 $_Chem_struct_descriptor.ID '_Chem_struct_descriptor.ID' 1106 $_Chem_struct_descriptor.Entry_ID '_Chem_struct_descriptor.Entry_ID' 1107 $_Chem_struct_descriptor.Comp_ID '_Chem_struct_descriptor.Comp_ID' 85 NMR-STAR stop_ save_ save__Chem_struct_descriptor.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.ID' _Item.ID 1099 _Item.Name '_Chem_struct_descriptor.ID' _Item.Description ; A value that uniquely identifies each chemical structure descriptor provided in the list. ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_struct_descriptor.Descriptor _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Descriptor' _Item.ID 1100 _Item.Name '_Chem_struct_descriptor.Descriptor' _Item.Description ; A chemical structure descriptor. ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_struct_descriptor.Descriptor' alcohol ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' aldehyde ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' alkyne ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' alkene ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' alkane ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' amide ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'carboxylic acid' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' ester ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' ether ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' ketone ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' amine ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' nitrile ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'primary amine' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'secondary amine' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'teritary amine' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' thiol ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'three carbon ring' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'four carbon ring' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'five carbon ring' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'six carbon ring' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'seven carbon ring' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'eight carbon ring' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'three member heterocycle' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'four member heterocycle' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'five member heterocycle' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'six member heterocycle' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'seven member heterocycle' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'eight member heterocycle' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'benzyl group' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'phenyl group' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' phenol ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' imidazole ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' 'beta lactam' ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' methyl ? 1100 85 NMR-STAR '_Chem_struct_descriptor.Descriptor' methylene ? 1100 85 NMR-STAR stop_ save_ save__Chem_struct_descriptor.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Type' _Item.ID 1101 _Item.Name '_Chem_struct_descriptor.Type' _Item.Description ; The type of descriptor provided. ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_struct_descriptor.Type' linkage ? 1101 85 NMR-STAR '_Chem_struct_descriptor.Type' 'chemical fragment' ? 1101 85 NMR-STAR '_Chem_struct_descriptor.Type' 'functional group' ? 1101 85 NMR-STAR stop_ save_ save__Chem_struct_descriptor.Count _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Count' _Item.ID 1102 _Item.Name '_Chem_struct_descriptor.Count' _Item.Description ; The number of chemical structures of the same kind in the chemical compound. ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_struct_descriptor.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Software_ID' _Item.ID 1103 _Item.Name '_Chem_struct_descriptor.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_struct_descriptor.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Software_label' _Item.ID 1104 _Item.Name '_Chem_struct_descriptor.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_struct_descriptor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Sf_ID' _Item.ID 1105 _Item.Name '_Chem_struct_descriptor.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_struct_descriptor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Entry_ID' _Item.ID 1106 _Item.Name '_Chem_struct_descriptor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_struct_descriptor.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_struct_descriptor.Comp_ID' _Item.ID 1107 _Item.Name '_Chem_struct_descriptor.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 85 _Item.Category_label $Chem_struct_descriptor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_descriptor _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_descriptor _Category.ID 86 _Category.Name 'Chem_comp_descriptor' _category.Description ; Data items in the chem_comp_descriptor category provide string descriptors of component chemical structure. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1108 $_Chem_comp_descriptor.Descriptor '_Chem_comp_descriptor.Descriptor' 1109 $_Chem_comp_descriptor.Type '_Chem_comp_descriptor.Type' 1110 $_Chem_comp_descriptor.Program '_Chem_comp_descriptor.Program' 1111 $_Chem_comp_descriptor.Program_version '_Chem_comp_descriptor.Program_version' 1113 $_Chem_comp_descriptor.Entry_ID '_Chem_comp_descriptor.Entry_ID' 1114 $_Chem_comp_descriptor.Comp_ID '_Chem_comp_descriptor.Comp_ID' 86 NMR-STAR stop_ save_ save__Chem_comp_descriptor.Descriptor _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Descriptor' _Item.ID 1108 _Item.Name '_Chem_comp_descriptor.Descriptor' _Item.Description ; This data item contains the descriptor value for this component. ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Chem_comp_descriptor.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Type' _Item.ID 1109 _Item.Name '_Chem_comp_descriptor.Type' _Item.Description ; This data item contains the descriptor type. ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_descriptor.Type' SMILES_CANONICAL 'Canonical SMILES descriptor' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' SMILES_ISOMERIC 'Isomeric SMILES descriptor' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' SMILES 'SMILES descriptor' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI 'InChI descriptor' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_MAIN 'InChI descriptor- main layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_MAIN_FORMULA 'InChI descriptor- main layer - chemical formula sub-layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_MAIN_CONNECT 'InChI descriptor- main layer - atom connection sub-layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_MAIN_HATOM 'InChI descriptor- main layer - hydrogen atom sub-layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_CHARGE 'InChI descriptor- charge layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_STEREO 'InChI descriptor- stereochemical layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_ISOTOPE 'InChI descriptor- isotopic layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_FIXEDH 'InChI descriptor- fixed hydrogren layer' 1109 86 NMR-STAR '_Chem_comp_descriptor.Type' InChI_RECONNECT 'InChI descriptor- reconnected layer' 1109 86 NMR-STAR stop_ save_ save__Chem_comp_descriptor.Program _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Program' _Item.ID 1110 _Item.Name '_Chem_comp_descriptor.Program' _Item.Description ; This data item contains the name of the program or library used to compute the descriptor. ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_descriptor.Program' ACD 'Advanced Chemistry Development' 1110 86 NMR-STAR '_Chem_comp_descriptor.Program' OECHEM 'OpenEye OECHEM library' 1110 86 NMR-STAR '_Chem_comp_descriptor.Program' CACTVS 'CACTVS program library' 1110 86 NMR-STAR '_Chem_comp_descriptor.Program' DAYLIGHT 'Daylight program library' 1110 86 NMR-STAR '_Chem_comp_descriptor.Program' OTHER 'Other program or library' 1110 86 NMR-STAR '_Chem_comp_descriptor.Program' na 'not available' 1110 86 NMR-STAR stop_ save_ save__Chem_comp_descriptor.Program_version _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Program_version' _Item.ID 1111 _Item.Name '_Chem_comp_descriptor.Program_version' _Item.Description ; This data item contains the version of the program ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_descriptor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Sf_ID' _Item.ID 1112 _Item.Name '_Chem_comp_descriptor.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_descriptor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Entry_ID' _Item.ID 1113 _Item.Name '_Chem_comp_descriptor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_descriptor.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_descriptor.Comp_ID' _Item.ID 1114 _Item.Name '_Chem_comp_descriptor.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 86 _Item.Category_label $Chem_comp_descriptor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_identifier _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_identifier _Category.ID 87 _Category.Name 'Chem_comp_identifier' _category.Description ; Data items in the chem_comp_identifier category provide identifiers for chemical components. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1115 $_Chem_comp_identifier.Identifier '_Chem_comp_identifier.Identifier' 1116 $_Chem_comp_identifier.Type '_Chem_comp_identifier.Type' 1117 $_Chem_comp_identifier.Program '_Chem_comp_identifier.Program' 1118 $_Chem_comp_identifier.Program_version '_Chem_comp_identifier.Program_version' 1120 $_Chem_comp_identifier.Entry_ID '_Chem_comp_identifier.Entry_ID' 1121 $_Chem_comp_identifier.Comp_ID '_Chem_comp_identifier.Comp_ID' 87 NMR-STAR stop_ save_ save__Chem_comp_identifier.Identifier _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Identifier' _Item.ID 1115 _Item.Name '_Chem_comp_identifier.Identifier' _Item.Description ; This data item contains the identifier value for this component. ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Chem_comp_identifier.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Type' _Item.ID 1116 _Item.Name '_Chem_comp_identifier.Type' _Item.Description ; This data item contains the identifier type. ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_identifier.Type' 'common name' 'Common chemical name' 1116 87 NMR-STAR '_Chem_comp_identifier.Type' 'systematic name' 'Systematic chemical name' 1116 87 NMR-STAR '_Chem_comp_identifier.Type' 'CAS Registry number' 'Chemical Abstracts Registry Number' 1116 87 NMR-STAR '_Chem_comp_identifier.Type' 'PUBCHEM Identifier' 'PubChem accession number' 1116 87 NMR-STAR '_Chem_comp_identifier.Type' 'PUBCHEM CID' 'PubChem compound identifier' 1116 87 NMR-STAR '_Chem_comp_identifier.Type' 'PUBCHEM SID' 'PubChem substance identifier' 1116 87 NMR-STAR '_Chem_comp_identifier.Type' 'MDL Identifier' 'Molecular Design Limited Identifier' 1116 87 NMR-STAR stop_ save_ save__Chem_comp_identifier.Program _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Program' _Item.ID 1117 _Item.Name '_Chem_comp_identifier.Program' _Item.Description ; This data item contains the name of the program or library used to compute the identifier. ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_identifier.Program' OECHEM 'OpenEye OECHEM program' 1117 87 NMR-STAR '_Chem_comp_identifier.Program' DAYLIGHT 'Daylight program library' 1117 87 NMR-STAR '_Chem_comp_identifier.Program' ACD 'Advanced Chemistry Development Naming Program' 1117 87 NMR-STAR '_Chem_comp_identifier.Program' AUTONOM 'Belstein AutoNom Naming Program' 1117 87 NMR-STAR '_Chem_comp_identifier.Program' OTHER 'Other program or library' 1117 87 NMR-STAR stop_ save_ save__Chem_comp_identifier.Program_version _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Program_version' _Item.ID 1118 _Item.Name '_Chem_comp_identifier.Program_version' _Item.Description ; This data item contains the version of the program or library used to compute the identifier. ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_identifier.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Sf_ID' _Item.ID 1119 _Item.Name '_Chem_comp_identifier.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_identifier.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Entry_ID' _Item.ID 1120 _Item.Name '_Chem_comp_identifier.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_identifier.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_identifier.Comp_ID' _Item.ID 1121 _Item.Name '_Chem_comp_identifier.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 87 _Item.Category_label $Chem_comp_identifier _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_systematic_name _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_systematic_name _Category.ID 88 _Category.Name 'Chem_comp_systematic_name' _category.Description ; Items in the chem_comp_systematic_name category provide a list of systematic names for a chemical component and define the systematic naming systems. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1123 $_Chem_comp_systematic_name.Naming_system '_Chem_comp_systematic_name.Naming_system' 1125 $_Chem_comp_systematic_name.Entry_ID '_Chem_comp_systematic_name.Entry_ID' 1126 $_Chem_comp_systematic_name.Comp_ID '_Chem_comp_systematic_name.Comp_ID' 88 NMR-STAR stop_ save_ save__Chem_comp_systematic_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_systematic_name.Name' _Item.ID 1122 _Item.Name '_Chem_comp_systematic_name.Name' _Item.Description ; A name for the chemical compound that has been defined by an official body or is derived from rules defined by an official organization recognized by the scientific community. ; _Item.Category_ID 88 _Item.Category_label $Chem_comp_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_systematic_name.Naming_system _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_systematic_name.Naming_system' _Item.ID 1123 _Item.Name '_Chem_comp_systematic_name.Naming_system' _Item.Description ; An official method of nomenclature or defined set of nomenclature for chemical compounds recognized by the scientific community. ; _Item.Category_ID 88 _Item.Category_label $Chem_comp_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_systematic_name.Naming_system' IUPAC ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' 'CAS name' ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' 'CAS registry number' ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' BMRB ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' 'One letter code' ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' 'Three letter code' ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' Beilstein ? 1123 88 NMR-STAR '_Chem_comp_systematic_name.Naming_system' 'Lignin abbreviation' ? 1123 88 NMR-STAR stop_ save_ save__Chem_comp_systematic_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_systematic_name.Sf_ID' _Item.ID 1124 _Item.Name '_Chem_comp_systematic_name.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 88 _Item.Category_label $Chem_comp_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_systematic_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_systematic_name.Entry_ID' _Item.ID 1125 _Item.Name '_Chem_comp_systematic_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 88 _Item.Category_label $Chem_comp_systematic_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_systematic_name.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_systematic_name.Comp_ID' _Item.ID 1126 _Item.Name '_Chem_comp_systematic_name.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 88 _Item.Category_label $Chem_comp_systematic_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_SMILES _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_SMILES _Category.ID 89 _Category.Name 'Chem_comp_SMILES' _category.Description ; Items in the chem_comp_SMILES category define a SMILES string for a chemical component and the type of SMILES string that is provided. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1127 $_Chem_comp_SMILES.Type '_Chem_comp_SMILES.Type' 1128 $_Chem_comp_SMILES.String '_Chem_comp_SMILES.String' 1130 $_Chem_comp_SMILES.Entry_ID '_Chem_comp_SMILES.Entry_ID' 1131 $_Chem_comp_SMILES.Comp_ID '_Chem_comp_SMILES.Comp_ID' 89 NMR-STAR stop_ save_ save__Chem_comp_SMILES.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_SMILES.Type' _Item.ID 1127 _Item.Name '_Chem_comp_SMILES.Type' _Item.Description ; The type of SMILES string provided is defined by this tag value. ; _Item.Category_ID 89 _Item.Category_label $Chem_comp_SMILES _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_SMILES.String _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_SMILES.String' _Item.ID 1128 _Item.Name '_Chem_comp_SMILES.String' _Item.Description ; SMILES string for the chemical component. ; _Item.Category_ID 89 _Item.Category_label $Chem_comp_SMILES _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Chem_comp_SMILES.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_SMILES.Sf_ID' _Item.ID 1129 _Item.Name '_Chem_comp_SMILES.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 89 _Item.Category_label $Chem_comp_SMILES _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_SMILES.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_SMILES.Entry_ID' _Item.ID 1130 _Item.Name '_Chem_comp_SMILES.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 89 _Item.Category_label $Chem_comp_SMILES _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_SMILES.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_SMILES.Comp_ID' _Item.ID 1131 _Item.Name '_Chem_comp_SMILES.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 89 _Item.Category_label $Chem_comp_SMILES _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_keyword _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_keyword _Category.ID 90 _Category.Name 'Chem_comp_keyword' _category.Description ; Items in the chem_comp_keyword category provide a list of keywords that describe a chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1132 $_Chem_comp_keyword.Keyword '_Chem_comp_keyword.Keyword' 1134 $_Chem_comp_keyword.Entry_ID '_Chem_comp_keyword.Entry_ID' 1135 $_Chem_comp_keyword.Comp_ID '_Chem_comp_keyword.Comp_ID' 90 NMR-STAR stop_ save_ save__Chem_comp_keyword.Keyword _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_keyword.Keyword' _Item.ID 1132 _Item.Name '_Chem_comp_keyword.Keyword' _Item.Description ; A keyword or brief phrase describing the chemical compound. ; _Item.Category_ID 90 _Item.Category_label $Chem_comp_keyword _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_keyword.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_keyword.Sf_ID' _Item.ID 1133 _Item.Name '_Chem_comp_keyword.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 90 _Item.Category_label $Chem_comp_keyword _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_keyword.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_keyword.Entry_ID' _Item.ID 1134 _Item.Name '_Chem_comp_keyword.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 90 _Item.Category_label $Chem_comp_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_keyword.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_keyword.Comp_ID' _Item.ID 1135 _Item.Name '_Chem_comp_keyword.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 90 _Item.Category_label $Chem_comp_keyword _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_PDBX_chem_comp_feature _Category.Sf_category category_description _Category.Sf_framecode PDBX_chem_comp_feature _Category.ID 91 _Category.Name 'PDBX_chem_comp_feature' _category.Description ; Items in the PDBX_chem_comp_feature category define various properties of the chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1136 $_PDBX_chem_comp_feature.Type '_PDBX_chem_comp_feature.Type' 1137 $_PDBX_chem_comp_feature.Value '_PDBX_chem_comp_feature.Value' 1138 $_PDBX_chem_comp_feature.Source '_PDBX_chem_comp_feature.Source' 1141 $_PDBX_chem_comp_feature.Entry_ID '_PDBX_chem_comp_feature.Entry_ID' 1142 $_PDBX_chem_comp_feature.Comp_ID '_PDBX_chem_comp_feature.Comp_ID' 91 NMR-STAR stop_ save_ save__PDBX_chem_comp_feature.Type _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Type' _Item.ID 1136 _Item.Name '_PDBX_chem_comp_feature.Type' _Item.Description ; The component feature type. ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__PDBX_chem_comp_feature.Value _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Value' _Item.ID 1137 _Item.Name '_PDBX_chem_comp_feature.Value' _Item.Description ; The component feature value. ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__PDBX_chem_comp_feature.Source _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Source' _Item.ID 1138 _Item.Name '_PDBX_chem_comp_feature.Source' _Item.Description ; The information source for the component feature. ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__PDBX_chem_comp_feature.Support _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Support' _Item.ID 1139 _Item.Name '_PDBX_chem_comp_feature.Support' _Item.Description ; The supporting evidence for this feature. ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code no _Item.Type_code 'text' save_ save__PDBX_chem_comp_feature.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Sf_ID' _Item.ID 1140 _Item.Name '_PDBX_chem_comp_feature.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PDBX_chem_comp_feature.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Entry_ID' _Item.ID 1141 _Item.Name '_PDBX_chem_comp_feature.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PDBX_chem_comp_feature.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PDBX_chem_comp_feature.Comp_ID' _Item.ID 1142 _Item.Name '_PDBX_chem_comp_feature.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 91 _Item.Category_label $PDBX_chem_comp_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Characteristic _Category.Sf_category category_description _Category.Sf_framecode Characteristic _Category.ID 92 _Category.Name 'Characteristic' _category.Description ; Items in the characteristics category define specific physical characteristics for a chemical component and links to the source of the information. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1143 $_Characteristic.ID '_Characteristic.ID' 1153 $_Characteristic.Entry_ID '_Characteristic.Entry_ID' 1154 $_Characteristic.Comp_ID '_Characteristic.Comp_ID' 92 NMR-STAR stop_ save_ save__Characteristic.ID _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.ID' _Item.ID 1143 _Item.Name '_Characteristic.ID' _Item.Description ; A value that uniquely identifies each characteristic provided in the list. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Characteristic.Name _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Name' _Item.ID 1144 _Item.Name '_Characteristic.Name' _Item.Description ; Name for the reported characteristic of the chemical component. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Characteristic.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Atom_ID' _Item.ID 1145 _Item.Name '_Characteristic.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Characteristic.Chemical_group _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Chemical_group' _Item.ID 1146 _Item.Name '_Characteristic.Chemical_group' _Item.Description ; Chemical group that is responsible for the observed characteristic of the chemical component. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Characteristic.Val _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Val' _Item.ID 1147 _Item.Name '_Characteristic.Val' _Item.Description ; Value for the defined characteristic of the chemical component. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Characteristic.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Val_err' _Item.ID 1148 _Item.Name '_Characteristic.Val_err' _Item.Description ; Estimated error in the reported characteristic of the chemical component. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Characteristic.Source _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Source' _Item.ID 1149 _Item.Name '_Characteristic.Source' _Item.Description ; Experimental source for the value reported for the chemical component. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Characteristic.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Citation_ID' _Item.ID 1150 _Item.Name '_Characteristic.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Characteristic.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Citation_label' _Item.ID 1151 _Item.Name '_Characteristic.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Characteristic.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Sf_ID' _Item.ID 1152 _Item.Name '_Characteristic.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Characteristic.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Entry_ID' _Item.ID 1153 _Item.Name '_Characteristic.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Characteristic.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Characteristic.Comp_ID' _Item.ID 1154 _Item.Name '_Characteristic.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 92 _Item.Category_label $Characteristic _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_atom _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_atom _Category.ID 93 _Category.Name 'Chem_comp_atom' _category.Description ; Items in the chem_comp_atom category define the atoms in a chemical component, the name for each atom, and characteristics of each atom in the chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1155 $_Chem_comp_atom.Atom_ID '_Chem_comp_atom.Atom_ID' 1187 $_Chem_comp_atom.Entry_ID '_Chem_comp_atom.Entry_ID' 1188 $_Chem_comp_atom.Comp_ID '_Chem_comp_atom.Comp_ID' 93 NMR-STAR stop_ save_ save__Chem_comp_atom.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Atom_ID' _Item.ID 1155 _Item.Name '_Chem_comp_atom.Atom_ID' _Item.Description ; The value of _chem_comp_atom.atom_ID must uniquely identify each atom in each monomer in the CHEM_COMP_ATOM list. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code yes _Item.Type_code 'atcode' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_comp_atom.BMRB_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.BMRB_code' _Item.ID 1156 _Item.Name '_Chem_comp_atom.BMRB_code' _Item.Description ; A code assigned to the atom by BMRB that is unique within the chemical compound. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Chem_comp_atom.PDB_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.PDB_atom_ID' _Item.ID 1157 _Item.Name '_Chem_comp_atom.PDB_atom_ID' _Item.Description ; Name given to the atom by the PDB. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Chem_comp_atom.Alt_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Alt_atom_ID' _Item.ID 1158 _Item.Name '_Chem_comp_atom.Alt_atom_ID' _Item.Description ; An alternative identifier for the atom. This data item would be used in cases where alternative nomenclatures exist for labelling atoms in a group. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Chem_comp_atom.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Auth_atom_ID' _Item.ID 1159 _Item.Name '_Chem_comp_atom.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_atom.Type_symbol _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Type_symbol' _Item.ID 1160 _Item.Name '_Chem_comp_atom.Type_symbol' _Item.Description ; The IUPAC symbol used for the atom (H; C; P; O; S). ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_atom.Isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Isotope_number' _Item.ID 1161 _Item.Name '_Chem_comp_atom.Isotope_number' _Item.Description ; Mass number assigned to the atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_atom.Chirality _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Chirality' _Item.ID 1162 _Item.Name '_Chem_comp_atom.Chirality' _Item.Description ; The chiral or prochiral characteristic of the atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_atom.Chirality' N 'atom is not a chiral center' 1162 93 NMR-STAR '_Chem_comp_atom.Chirality' E '(E)- alkene (German, entgegen = opposite)' 1162 93 NMR-STAR '_Chem_comp_atom.Chirality' Z '(Z)- alkene (German, zusammen = together)' 1162 93 NMR-STAR '_Chem_comp_atom.Chirality' R 'rectus - right handed configuration' 1162 93 NMR-STAR '_Chem_comp_atom.Chirality' S 'sinister - left handed configuration' 1162 93 NMR-STAR '_Chem_comp_atom.Chirality' pro-R 'If substituted for a higher molecular weight entity will make the attached atom an R chiral center' 1162 93 NMR-STAR '_Chem_comp_atom.Chirality' pro-S 'If substituted for a higher molecular weight entity will make the attached atom an S chiral center' 1162 93 NMR-STAR stop_ save_ save__Chem_comp_atom.Stereo_config _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Stereo_config' _Item.ID 1163 _Item.Name '_Chem_comp_atom.Stereo_config' _Item.Description ; The chiral configuration of the atom that is a chiral center. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'ucode' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_atom.Stereo_config' N 'atom is not a chiral center' 1163 93 NMR-STAR '_Chem_comp_atom.Stereo_config' E '(E)- alkene (German, entgegen = opposite)' 1163 93 NMR-STAR '_Chem_comp_atom.Stereo_config' Z '(Z)- alkene (German, zusammen = together)' 1163 93 NMR-STAR '_Chem_comp_atom.Stereo_config' R 'rectus - right handed configuration' 1163 93 NMR-STAR '_Chem_comp_atom.Stereo_config' S 'sinister - left handed configuration' 1163 93 NMR-STAR stop_ save_ save__Chem_comp_atom.Charge _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Charge' _Item.ID 1164 _Item.Name '_Chem_comp_atom.Charge' _Item.Description ; The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_atom.Partial_charge _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Partial_charge' _Item.ID 1165 _Item.Name '_Chem_comp_atom.Partial_charge' _Item.Description ; The partial charge assigned to this atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Oxidation_number _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Oxidation_number' _Item.ID 1166 _Item.Name '_Chem_comp_atom.Oxidation_number' _Item.Description ; The oxidation number for the atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_comp_atom.Unpaired_electron_number _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Unpaired_electron_number' _Item.ID 1167 _Item.Name '_Chem_comp_atom.Unpaired_electron_number' _Item.Description ; The number of unpaired electrons on the atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_atom.Align _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Align' _Item.ID 1168 _Item.Name '_Chem_comp_atom.Align' _Item.Description ; Determines which column the atom name appears within the PDB coordinate files. The possible values are 0 or 1. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_atom.Aromatic_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Aromatic_flag' _Item.ID 1169 _Item.Name '_Chem_comp_atom.Aromatic_flag' _Item.Description ; A flag indicating an aromatic atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp_atom.Leaving_atom_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Leaving_atom_flag' _Item.ID 1170 _Item.Name '_Chem_comp_atom.Leaving_atom_flag' _Item.Description ; A flag indicating a leaving atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp_atom.Substruct_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Substruct_code' _Item.ID 1171 _Item.Name '_Chem_comp_atom.Substruct_code' _Item.Description ; This data item assigns the atom to a substructure of the component, if appropriate. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'ucode' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_atom.Substruct_code' main 'main chain of an amino acid' 1171 93 NMR-STAR '_Chem_comp_atom.Substruct_code' side 'side chain of an amino acid' 1171 93 NMR-STAR '_Chem_comp_atom.Substruct_code' base 'base of a nucleic acid' 1171 93 NMR-STAR '_Chem_comp_atom.Substruct_code' phos 'phosphate of a nucleic acid' 1171 93 NMR-STAR '_Chem_comp_atom.Substruct_code' sugar 'sugar of a nucleic acid' 1171 93 NMR-STAR '_Chem_comp_atom.Substruct_code' none 'not appropriate for this monomer' 1171 93 NMR-STAR stop_ save_ save__Chem_comp_atom.Ionizable _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Ionizable' _Item.ID 1172 _Item.Name '_Chem_comp_atom.Ionizable' _Item.Description ; A code indicating the potential for the atom to be in an ionized state. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp_atom.Drawing_2D_coord_x _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Drawing_2D_coord_x' _Item.ID 1173 _Item.Name '_Chem_comp_atom.Drawing_2D_coord_x' _Item.Description ; X coordinate of a data point in a two-dimensional drawing of the chemical compound. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Drawing_2D_coord_y _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Drawing_2D_coord_y' _Item.ID 1174 _Item.Name '_Chem_comp_atom.Drawing_2D_coord_y' _Item.Description ; Y coordinate of a data point in a two-dimensional drawing of the chemical compound. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_x _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_x' _Item.ID 1175 _Item.Name '_Chem_comp_atom.Model_Cartn_x' _Item.Description ; X coordinate in a Cartesian system for an atom in the chemical compound. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_x_esd _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_x_esd' _Item.ID 1176 _Item.Name '_Chem_comp_atom.Model_Cartn_x_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_x. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_y _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_y' _Item.ID 1177 _Item.Name '_Chem_comp_atom.Model_Cartn_y' _Item.Description ; Y coordinate in a Cartesian system for an atom in the chemical compound. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_y_esd _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_y_esd' _Item.ID 1178 _Item.Name '_Chem_comp_atom.Model_Cartn_y_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_y. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_z _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_z' _Item.ID 1179 _Item.Name '_Chem_comp_atom.Model_Cartn_z' _Item.Description ; Z coordinate in a Cartesian system for an atom in the chemical compound. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_z_esd _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_z_esd' _Item.ID 1180 _Item.Name '_Chem_comp_atom.Model_Cartn_z_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_z. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_x_ideal _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_x_ideal' _Item.ID 1181 _Item.Name '_Chem_comp_atom.Model_Cartn_x_ideal' _Item.Description ; Computed idealized coordinates, x component of the vector (in Angstroms) ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_y_ideal _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_y_ideal' _Item.ID 1182 _Item.Name '_Chem_comp_atom.Model_Cartn_y_ideal' _Item.Description ; Computed idealized coordinates, y component of the vector (in Angstroms) ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.Model_Cartn_z_ideal _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Model_Cartn_z_ideal' _Item.ID 1183 _Item.Name '_Chem_comp_atom.Model_Cartn_z_ideal' _Item.Description ; Computed idealized coordinates, z component of the vector (in Angstroms) ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_comp_atom.PDBX_ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.PDBX_ordinal' _Item.ID 1184 _Item.Name '_Chem_comp_atom.PDBX_ordinal' _Item.Description ; Ordinal index for the chemical component atom list. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_atom.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Details' _Item.ID 1185 _Item.Name '_Chem_comp_atom.Details' _Item.Description ; Text providing additional information about the atom. ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp_atom.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Sf_ID' _Item.ID 1186 _Item.Name '_Chem_comp_atom.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_atom.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Entry_ID' _Item.ID 1187 _Item.Name '_Chem_comp_atom.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_atom.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_atom.Comp_ID' _Item.ID 1188 _Item.Name '_Chem_comp_atom.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 93 _Item.Category_label $Chem_comp_atom _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Atom_nomenclature _Category.Sf_category category_description _Category.Sf_framecode Atom_nomenclature _Category.ID 94 _Category.Name 'Atom_nomenclature' _category.Description ; Items in the atom_nomenclature category define alternative atom nomenclature for the atoms in a chemical compound. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1189 $_Atom_nomenclature.Atom_ID '_Atom_nomenclature.Atom_ID' 1193 $_Atom_nomenclature.Entry_ID '_Atom_nomenclature.Entry_ID' 1194 $_Atom_nomenclature.Comp_ID '_Atom_nomenclature.Comp_ID' 94 NMR-STAR stop_ save_ save__Atom_nomenclature.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_nomenclature.Atom_ID' _Item.ID 1189 _Item.Name '_Atom_nomenclature.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 94 _Item.Category_label $Atom_nomenclature _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Atom_nomenclature.Atom_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_nomenclature.Atom_name' _Item.ID 1190 _Item.Name '_Atom_nomenclature.Atom_name' _Item.Description ; Alternate atom name defined by an organization or official body. ; _Item.Category_ID 94 _Item.Category_label $Atom_nomenclature _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Atom_nomenclature.Naming_system _Item.Sf_category item_description _Item.Sf_framecode '_Atom_nomenclature.Naming_system' _Item.ID 1191 _Item.Name '_Atom_nomenclature.Naming_system' _Item.Description ; The name of the systematic atom nomenclature. ; _Item.Category_ID 94 _Item.Category_label $Atom_nomenclature _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Atom_nomenclature.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_nomenclature.Sf_ID' _Item.ID 1192 _Item.Name '_Atom_nomenclature.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 94 _Item.Category_label $Atom_nomenclature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_nomenclature.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_nomenclature.Entry_ID' _Item.ID 1193 _Item.Name '_Atom_nomenclature.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 94 _Item.Category_label $Atom_nomenclature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_nomenclature.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_nomenclature.Comp_ID' _Item.ID 1194 _Item.Name '_Atom_nomenclature.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 94 _Item.Category_label $Atom_nomenclature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_bond _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_bond _Category.ID 95 _Category.Name 'Chem_comp_bond' _category.Description ; Items in the chem_comp_bond category define the chemical bonds in a chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1195 $_Chem_comp_bond.ID '_Chem_comp_bond.ID' 1205 $_Chem_comp_bond.Entry_ID '_Chem_comp_bond.Entry_ID' 1206 $_Chem_comp_bond.Comp_ID '_Chem_comp_bond.Comp_ID' 95 NMR-STAR stop_ save_ save__Chem_comp_bond.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.ID' _Item.ID 1195 _Item.Name '_Chem_comp_bond.ID' _Item.Description ; The value of _chem_comp_bond.id must uniquely identify a record in the Chem_comp_bond list. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_bond.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Type' _Item.ID 1196 _Item.Name '_Chem_comp_bond.Type' _Item.Description ; A common chemical bond descriptive name. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_bond.Type' amide ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' covalent ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' directed ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' disulfide ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' ester ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' ether ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' hydrogen ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' 'metal coordination' ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' peptide ? 1196 95 NMR-STAR '_Chem_comp_bond.Type' thioether ? 1196 95 NMR-STAR stop_ save_ save__Chem_comp_bond.Value_order _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Value_order' _Item.ID 1197 _Item.Name '_Chem_comp_bond.Value_order' _Item.Description ; The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a bond order. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_bond.Value_order' SING 'single bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' DOUB 'double bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' TRIP 'triple bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' QUAD 'quadruple bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' AROM 'aromatic bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' POLY 'polymeric bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' DELO 'delocalized double bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' PI 'pi bond' 1197 95 NMR-STAR '_Chem_comp_bond.Value_order' DIRECTED 'N ->O' 1197 95 NMR-STAR stop_ save_ save__Chem_comp_bond.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Atom_ID_1' _Item.ID 1198 _Item.Name '_Chem_comp_bond.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_bond.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Atom_ID_2' _Item.ID 1199 _Item.Name '_Chem_comp_bond.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_bond.Aromatic_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Aromatic_flag' _Item.ID 1200 _Item.Name '_Chem_comp_bond.Aromatic_flag' _Item.Description ; A flag indicating an aromatic bond. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp_bond.Stereo_config _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Stereo_config' _Item.ID 1201 _Item.Name '_Chem_comp_bond.Stereo_config' _Item.Description ; Stereochemical configuration across a double bond. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code no _Item.Type_code 'ucode' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_bond.Stereo_config' E 'zusammen for together' 1201 95 NMR-STAR '_Chem_comp_bond.Stereo_config' Z 'entgegen for opposite' 1201 95 NMR-STAR '_Chem_comp_bond.Stereo_config' N 'none' 1201 95 NMR-STAR stop_ save_ save__Chem_comp_bond.Ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Ordinal' _Item.ID 1202 _Item.Name '_Chem_comp_bond.Ordinal' _Item.Description ; Ordinal index for the component bond list. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_comp_bond.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Details' _Item.ID 1203 _Item.Name '_Chem_comp_bond.Details' _Item.Description ; A text description of the bond. ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp_bond.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Sf_ID' _Item.ID 1204 _Item.Name '_Chem_comp_bond.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_bond.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Entry_ID' _Item.ID 1205 _Item.Name '_Chem_comp_bond.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_bond.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_bond.Comp_ID' _Item.ID 1206 _Item.Name '_Chem_comp_bond.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 95 _Item.Category_label $Chem_comp_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_tor _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_tor _Category.ID 96 _Category.Name 'Chem_comp_tor' _category.Description ; Items in the chem_comp_tor category define the torsion angles in a chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1207 $_Chem_comp_tor.ID '_Chem_comp_tor.ID' 1214 $_Chem_comp_tor.Entry_ID '_Chem_comp_tor.Entry_ID' 1215 $_Chem_comp_tor.Comp_ID '_Chem_comp_tor.Comp_ID' 96 NMR-STAR stop_ save_ save__Chem_comp_tor.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.ID' _Item.ID 1207 _Item.Name '_Chem_comp_tor.ID' _Item.Description ; The value of _chem_comp_tor.id must uniquely identify a record in the Chem_comp_tor list. ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_tor.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Atom_ID_1' _Item.ID 1208 _Item.Name '_Chem_comp_tor.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_tor.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Atom_ID_2' _Item.ID 1209 _Item.Name '_Chem_comp_tor.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_tor.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Atom_ID_3' _Item.ID 1210 _Item.Name '_Chem_comp_tor.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_tor.Atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Atom_ID_4' _Item.ID 1211 _Item.Name '_Chem_comp_tor.Atom_ID_4' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_tor.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Details' _Item.ID 1212 _Item.Name '_Chem_comp_tor.Details' _Item.Description ; A text description of the torsion angle. ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp_tor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Sf_ID' _Item.ID 1213 _Item.Name '_Chem_comp_tor.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_tor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Entry_ID' _Item.ID 1214 _Item.Name '_Chem_comp_tor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_tor.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_tor.Comp_ID' _Item.ID 1215 _Item.Name '_Chem_comp_tor.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 96 _Item.Category_label $Chem_comp_tor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_angle _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_angle _Category.ID 97 _Category.Name 'Chem_comp_angle' _category.Description ; Items in the chem_comp_angle category define the two bond angles in a chemical component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1216 $_Chem_comp_angle.ID '_Chem_comp_angle.ID' 1222 $_Chem_comp_angle.Entry_ID '_Chem_comp_angle.Entry_ID' 1223 $_Chem_comp_angle.Comp_ID '_Chem_comp_angle.Comp_ID' 97 NMR-STAR stop_ save_ save__Chem_comp_angle.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.ID' _Item.ID 1216 _Item.Name '_Chem_comp_angle.ID' _Item.Description ; The value of _chem_comp_angle.id must uniquely identify a record in the Chem_comp_tor list. ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_angle.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Atom_ID_1' _Item.ID 1217 _Item.Name '_Chem_comp_angle.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_angle.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Atom_ID_2' _Item.ID 1218 _Item.Name '_Chem_comp_angle.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_angle.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Atom_ID_3' _Item.ID 1219 _Item.Name '_Chem_comp_angle.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_comp_angle.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Details' _Item.ID 1220 _Item.Name '_Chem_comp_angle.Details' _Item.Description ; Text providing additional information regarding the angle formed by the three atoms. ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp_angle.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Sf_ID' _Item.ID 1221 _Item.Name '_Chem_comp_angle.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_angle.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Entry_ID' _Item.ID 1222 _Item.Name '_Chem_comp_angle.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_angle.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_angle.Comp_ID' _Item.ID 1223 _Item.Name '_Chem_comp_angle.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 97 _Item.Category_label $Chem_comp_angle _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_db_link _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_db_link _Category.ID 98 _Category.Name 'Chem_comp_db_link' _category.Description ; Items in the chem_comp_db_link category provide the names of databases and accession numbers for entries in the databases that are related to a chemical component and information about the linked entry. ; _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1225 $_Chem_comp_db_link.Database_code '_Chem_comp_db_link.Database_code' 1226 $_Chem_comp_db_link.Accession_code '_Chem_comp_db_link.Accession_code' 1234 $_Chem_comp_db_link.Entry_ID '_Chem_comp_db_link.Entry_ID' 1235 $_Chem_comp_db_link.Comp_ID '_Chem_comp_db_link.Comp_ID' 98 NMR-STAR stop_ save_ save__Chem_comp_db_link.Author_supplied _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Author_supplied' _Item.ID 1224 _Item.Name '_Chem_comp_db_link.Author_supplied' _Item.Description ; A code indicating if the database link was provided by the author of the deposition (yes) or by another source (no). ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Chem_comp_db_link.Database_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Database_code' _Item.ID 1225 _Item.Name '_Chem_comp_db_link.Database_code' _Item.Description ; Enter the abbreviation or acronym for the database site for the entry for the chemical compound. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_comp_db_link.Database_code' CDDC ? 1225 98 NMR-STAR '_Chem_comp_db_link.Database_code' PDB "PDB ligand library" 1225 98 NMR-STAR '_Chem_comp_db_link.Database_code' 'PubChem SID' "NCBI PubChem substance ID" 1225 98 NMR-STAR '_Chem_comp_db_link.Database_code' 'PubChem CID' "NCBI PubChem chemical ID" 1225 98 NMR-STAR '_Chem_comp_db_link.Database_code' KEGG "Kyoto Encyclopedia of Genes and Genomes" 1225 98 NMR-STAR stop_ save_ save__Chem_comp_db_link.Accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Accession_code' _Item.ID 1226 _Item.Name '_Chem_comp_db_link.Accession_code' _Item.Description ; Enter the accession code for the chemical compound from the database listed. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chem_comp_db_link.Accession_code_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Accession_code_type' _Item.ID 1227 _Item.Name '_Chem_comp_db_link.Accession_code_type' _Item.Description ; The type of accession code reported. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp_db_link.Entry_mol_code _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Entry_mol_code' _Item.ID 1228 _Item.Name '_Chem_comp_db_link.Entry_mol_code' _Item.Description ; Code used by the database for the molecule. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp_db_link.Entry_mol_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Entry_mol_name' _Item.ID 1229 _Item.Name '_Chem_comp_db_link.Entry_mol_name' _Item.Description ; Name given by the database to the molecule. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp_db_link.Entry_experimental_method _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Entry_experimental_method' _Item.ID 1230 _Item.Name '_Chem_comp_db_link.Entry_experimental_method' _Item.Description ; If appropriate, list the experimental technique (NMR, mass spectrometry, X-ray crystallography) that was used to collect the data in the entry at the database listed. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp_db_link.Entry_relation_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Entry_relation_type' _Item.ID 1231 _Item.Name '_Chem_comp_db_link.Entry_relation_type' _Item.Description ; Describe the relationship between the entry in the listed database and this BMRB entry. This might include the physical properties of the compound or the position of the compound in a metabolic pathway, for example. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_comp_db_link.Entry_details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Entry_details' _Item.ID 1232 _Item.Name '_Chem_comp_db_link.Entry_details' _Item.Description ; If appropriate, additional text information regarding the entry in the listed database can be entered in this field. ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_comp_db_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Sf_ID' _Item.ID 1233 _Item.Name '_Chem_comp_db_link.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_db_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Entry_ID' _Item.ID 1234 _Item.Name '_Chem_comp_db_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_db_link.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_db_link.Comp_ID' _Item.ID 1235 _Item.Name '_Chem_comp_db_link.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 98 _Item.Category_label $Chem_comp_db_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Chem_comp_citation _Category.Sf_category category_description _Category.Sf_framecode Chem_comp_citation _Category.ID 99 _Category.Name 'Chem_comp_citation' _category.Description ; Items in the chem_comp_citation category provide pointers to the citations category where information defining citations that describe a chemical component can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 7 _Category.Category_group_name chem_comp _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1236 $_Chem_comp_citation.Citation_ID '_Chem_comp_citation.Citation_ID' 1239 $_Chem_comp_citation.Entry_ID '_Chem_comp_citation.Entry_ID' 1240 $_Chem_comp_citation.Comp_ID '_Chem_comp_citation.Comp_ID' 99 NMR-STAR stop_ save_ save__Chem_comp_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_citation.Citation_ID' _Item.ID 1236 _Item.Name '_Chem_comp_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 99 _Item.Category_label $Chem_comp_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_citation.Citation_label' _Item.ID 1237 _Item.Name '_Chem_comp_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 99 _Item.Category_label $Chem_comp_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chem_comp_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_citation.Sf_ID' _Item.ID 1238 _Item.Name '_Chem_comp_citation.Sf_ID' _Item.Description ; Pointer to '_Chem_comp.Sf_ID' ; _Item.Category_ID 99 _Item.Category_label $Chem_comp_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_comp_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_citation.Entry_ID' _Item.ID 1239 _Item.Name '_Chem_comp_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 99 _Item.Category_label $Chem_comp_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_comp_citation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_comp_citation.Comp_ID' _Item.ID 1240 _Item.Name '_Chem_comp_citation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 99 _Item.Category_label $Chem_comp_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save_Sample _Category.Sf_category category_description _Category.Sf_framecode Sample _Category.ID 100 _Category.Name 'Sample' _category.Description ; Items in the sample category describe the characteristics of the samples used to collect experimental data. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 14 _Category.Category_group_name sample _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1243 $_Sample.Entry_ID '_Sample.Entry_ID' 1245 $_Sample.ID '_Sample.ID' 100 NMR-STAR stop_ save_ save__Sample.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Sf_category' _Item.ID 1241 _Item.Name '_Sample.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Sf_framecode' _Item.ID 1242 _Item.Name '_Sample.Sf_framecode' _Item.Description ; A value that uniquely identifies this sample from the other samples listed in the entry. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Sample.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Entry_ID' _Item.ID 1243 _Item.Name '_Sample.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Sf_ID' _Item.ID 1244 _Item.Name '_Sample.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Sample.ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample.ID' _Item.ID 1245 _Item.Name '_Sample.ID' _Item.Description ; A value that uniquely identifies the sample described from the other samples listed in the entry. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Sample.Name _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Name' _Item.ID 1246 _Item.Name '_Sample.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Type _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Type' _Item.ID 1247 _Item.Name '_Sample.Type' _Item.Description ; A descriptive term for the sample that defines the general physical properties of the sample. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample.Type' solution ? 1247 100 NMR-STAR '_Sample.Type' solid ? 1247 100 NMR-STAR '_Sample.Type' bicelle ? 1247 100 NMR-STAR '_Sample.Type' emulsion ? 1247 100 NMR-STAR '_Sample.Type' fiber 'solid-state fiber sample' 1247 100 NMR-STAR '_Sample.Type' 'filamentous virus' ? 1247 100 NMR-STAR '_Sample.Type' 'gel solution' 'gel samples used for solution NMR' 1247 100 NMR-STAR '_Sample.Type' 'gel solid' 'gel samples used for solid-state NMR' 1247 100 NMR-STAR '_Sample.Type' liposome ? 1247 100 NMR-STAR '_Sample.Type' membrane ? 1247 100 NMR-STAR '_Sample.Type' micelle ? 1247 100 NMR-STAR '_Sample.Type' nano-disc ? 1247 100 NMR-STAR '_Sample.Type' 'lyophilized powder' ? 1247 100 NMR-STAR '_Sample.Type' 'oriented membrane film' ? 1247 100 NMR-STAR '_Sample.Type' 'fibrous protein' ? 1247 100 NMR-STAR '_Sample.Type' 'polycrystalline powder' ? 1247 100 NMR-STAR '_Sample.Type' 'reverse micelle' ? 1247 100 NMR-STAR '_Sample.Type' 'single crystal' ? 1247 100 NMR-STAR '_Sample.Type' microcrystalline ? 1247 100 NMR-STAR '_Sample.Type' 'liquid crystal' ? 1247 100 NMR-STAR '_Sample.Type' in-cell ? 1247 100 NMR-STAR stop_ save_ save__Sample.Sub_type _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Sub_type' _Item.ID 1248 _Item.Name '_Sample.Sub_type' _Item.Description ; Solid and solution NMR samples of different types are often used. Please select the specific type of sample used. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Details _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Details' _Item.ID 1249 _Item.Name '_Sample.Details' _Item.Description ; Describe the sample. Note any atypical components or conditions and discuss their importance. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Aggregate_sample_number _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Aggregate_sample_number' _Item.ID 1250 _Item.Name '_Sample.Aggregate_sample_number' _Item.Description ; Total number of samples represented by the concentration range reported in category _Sample_component. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'int' _Item.Default_value '?' save_ save__Sample.Solvent_system _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Solvent_system' _Item.ID 1251 _Item.Name '_Sample.Solvent_system' _Item.Description ; The solvent components of the sample. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample.Solvent_system' '90% H2O/10% D2O' ? 1251 100 NMR-STAR '_Sample.Solvent_system' '93% H2O/7% D2O' ? 1251 100 NMR-STAR '_Sample.Solvent_system' '95% H2O/5% D2O' ? 1251 100 NMR-STAR '_Sample.Solvent_system' '50% H2O/50% D2O' ? 1251 100 NMR-STAR '_Sample.Solvent_system' '100% D2O' ? 1251 100 NMR-STAR '_Sample.Solvent_system' acetone ? 1251 100 NMR-STAR '_Sample.Solvent_system' chloroform ? 1251 100 NMR-STAR '_Sample.Solvent_system' DMSO ? 1251 100 NMR-STAR '_Sample.Solvent_system' ethanol/water ? 1251 100 NMR-STAR '_Sample.Solvent_system' methanol ? 1251 100 NMR-STAR '_Sample.Solvent_system' 'trifluoroacetic acid' ? 1251 100 NMR-STAR '_Sample.Solvent_system' trifluoroethanol/water ? 1251 100 NMR-STAR stop_ save_ save__Sample.Preparation_date _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Preparation_date' _Item.ID 1252 _Item.Name '_Sample.Preparation_date' _Item.Description ; Date the sample was prepared. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Sample.Preparation_expiration_date _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Preparation_expiration_date' _Item.ID 1253 _Item.Name '_Sample.Preparation_expiration_date' _Item.Description ; Date after which the sample should not be used. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Sample.Polycrystallization_protocol _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Polycrystallization_protocol' _Item.ID 1254 _Item.Name '_Sample.Polycrystallization_protocol' _Item.Description ; Protocol used for preparing polycrystalline samples. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Single_crystal_protocol _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Single_crystal_protocol' _Item.ID 1255 _Item.Name '_Sample.Single_crystal_protocol' _Item.Description ; Text protocol used to prepare single crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Crystal_grow_apparatus _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_apparatus' _Item.ID 1256 _Item.Name '_Sample.Crystal_grow_apparatus' _Item.Description ; Apparatus used to grow the crystals ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Crystal_grow_atmosphere _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_atmosphere' _Item.ID 1257 _Item.Name '_Sample.Crystal_grow_atmosphere' _Item.Description ; Atmosphere used to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Crystal_grow_details _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_details' _Item.ID 1258 _Item.Name '_Sample.Crystal_grow_details' _Item.Description ; Text providing additional information regarding the methods used to grow crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Crystal_grow_method _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_method' _Item.ID 1259 _Item.Name '_Sample.Crystal_grow_method' _Item.Description ; Name for the method used to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Crystal_grow_method_cit_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_method_cit_ID' _Item.ID 1260 _Item.Name '_Sample.Crystal_grow_method_cit_ID' _Item.Description ; Pointer to '_Citation.ID' The citation referenced provides a description of the method used to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Sample.Crystal_grow_pH _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_pH' _Item.ID 1261 _Item.Name '_Sample.Crystal_grow_pH' _Item.Description ; The pH used to grow the crystals, if a specific value was used. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample.Crystal_grow_pH_range _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_pH_range' _Item.ID 1262 _Item.Name '_Sample.Crystal_grow_pH_range' _Item.Description ; The pH range over which the crystals were grown, where a single pH value was not used or known. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Crystal_grow_pressure _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_pressure' _Item.ID 1263 _Item.Name '_Sample.Crystal_grow_pressure' _Item.Description ; Pressure under which the crystals were grown. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample.Crystal_grow_pressure_esd _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_pressure_esd' _Item.ID 1264 _Item.Name '_Sample.Crystal_grow_pressure_esd' _Item.Description ; Estemated error in the pressure value used to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample.Crystal_grow_seeding _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_seeding' _Item.ID 1265 _Item.Name '_Sample.Crystal_grow_seeding' _Item.Description ; Code defining the type of seeding used to initiate the growth of the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Crystal_grow_seeding_cit_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_seeding_cit_ID' _Item.ID 1266 _Item.Name '_Sample.Crystal_grow_seeding_cit_ID' _Item.Description ; Pointer to '_Citation.ID' The citation referenced provides a description of the method used to seed the crystallization. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Sample.Crystal_grow_temp _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_temp' _Item.ID 1267 _Item.Name '_Sample.Crystal_grow_temp' _Item.Description ; Temperature used to grw the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample.Crystal_grow_temp_details _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_temp_details' _Item.ID 1268 _Item.Name '_Sample.Crystal_grow_temp_details' _Item.Description ; Text providing additional information regarding the temperature used to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Crystal_grow_temp_esd _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_temp_esd' _Item.ID 1269 _Item.Name '_Sample.Crystal_grow_temp_esd' _Item.Description ; Estimated error in the reported temperature value used to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample.Crystal_grow_time _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Crystal_grow_time' _Item.ID 1270 _Item.Name '_Sample.Crystal_grow_time' _Item.Description ; The time required to grow the crystals. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample.Oriented_sample_prep_protocol _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Oriented_sample_prep_protocol' _Item.ID 1271 _Item.Name '_Sample.Oriented_sample_prep_protocol' _Item.Description ; Protocol used to prepare oriented crystal samples. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Sample.Lyophilization_cryo_protectant _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Lyophilization_cryo_protectant' _Item.ID 1272 _Item.Name '_Sample.Lyophilization_cryo_protectant' _Item.Description ; Chemical used to protect the sample during lyophilization. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample.Storage_protocol _Item.Sf_category item_description _Item.Sf_framecode '_Sample.Storage_protocol' _Item.ID 1273 _Item.Name '_Sample.Storage_protocol' _Item.Description ; Protocol used for storing sample. ; _Item.Category_ID 100 _Item.Category_label $Sample _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Sample_component _Category.Sf_category category_description _Category.Sf_framecode Sample_component _Category.ID 101 _Category.Name 'Sample_component' _category.Description ; Items in the sample_component category define the components of a sample, their concentration in the sample, and the isotopic labeling for the component. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 14 _Category.Category_group_name sample _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1274 $_Sample_component.ID '_Sample_component.ID' 1292 $_Sample_component.Entry_ID '_Sample_component.Entry_ID' 1293 $_Sample_component.Sample_ID '_Sample_component.Sample_ID' 101 NMR-STAR stop_ save_ save__Sample_component.ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.ID' _Item.ID 1274 _Item.Name '_Sample_component.ID' _Item.Description ; A value that uniquely identifies each component of the sample in the component list. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Sample_component.Mol_common_name _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Mol_common_name' _Item.ID 1275 _Item.Name '_Sample_component.Mol_common_name' _Item.Description ; Enter the name for a component of the sample. Include molecules under study (the assembly, or entities and ligands) as well as buffers, salts, reducing agents, anti-bacterial agents, etc. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample_component.Mol_common_name' D2O ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DSS ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DTT ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' H2O ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' PMSF ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'potassium chloride' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'potassium phosphate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'sodium azide' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'sodium chloride' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'sodium phosphate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' TRIS ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' TSP ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'acetic acid' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'AEBSF protease inhibitor' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'ammonium acetate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'ammonium citrate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'ammonium sulfate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' APMSF ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' ascorbate ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' beta-mercaptoethanol ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' cacodylate ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' CHAPS ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' chloroform ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DHPC ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DMPC ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DMPG ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DMSO ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' DPC ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' EDTA ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' ethanol ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' formate ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' glycerol ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' glycine ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' HEPES ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' imidazole ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' MES ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' methanol ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' pefabloc ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'Pf1 phage' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' PIPES ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'potassium cyanide' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' SDS ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'sodium acetate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'sodium dithionite' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'sodium sulfate' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' 'succinic acid' ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' t-butanol ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' TCEP ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' TES ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' TFA ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' TFE ? 1275 101 NMR-STAR '_Sample_component.Mol_common_name' urea ? 1275 101 NMR-STAR stop_ save_ save__Sample_component.Isotopic_labeling _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Isotopic_labeling' _Item.ID 1276 _Item.Name '_Sample_component.Isotopic_labeling' _Item.Description ; If this molecule in the sample was isotopically labeled provide a description of the labeling using the methods recommended by the current IUPAC/IUBMB/IUPAB Interunion Task Group ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample_component.Isotopic_labeling' 'natural abundance' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-100% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-99% 15N]' 'Uniformly labeled with 15N at a level of 99 percent' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-98% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-95% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-90% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-15N]' 'Uniformly labeled with 15N at an unknown percentage' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-100% 13C]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-95% 13C]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-10% 13C]' 'Uniformly labeled with 13C at a level of 10 percent' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C]' 'Uniformly labeled with 13C at an unknown percentage' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-100% 13C; U-100% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-99% 13C; U-99% 15N]' 'Uniformly labeled with 13C at 99 percent and 15N at 99 percent' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-98% 13C; U-98% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-95% 13C; U-95% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-95% 13C; U-90% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-10% 13C; U-100% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-10% 13C; U-99% 15N]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N]' 'Uniformly labeled with 13C and 15N at unknown percentages' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-100% 13C; U-100% 15N; U-80% 2H]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N; U-2H; 99% 1HD-IleLeu; 99% 1HG-Val]' 'Uniformly labeled with 13C and 15N and 2H with ILV methyls 1H labeled' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N; U-2H]' 'Uniformly labeled with 13C, 15N, and 2H at unknown percentages' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-100% 2H]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-99% 2H]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-2H]' ? 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N]-Ade' 'All adenine nucleotides labeled fully with both 13C and 15N' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N]-Cyt' 'All cytosine nucleotides labeled fully with both 13C and 15N' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N]-Gua' 'All guanine nucleotides labeled fully with both 13C and 15N' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-13C; U-15N]-Ura' 'All uracil nucleotides labeled fully with both 13C and 15N' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[U-15N]-Leu' 'Uniformly labeled 15N Leu residues' 1276 101 NMR-STAR '_Sample_component.Isotopic_labeling' '[95% 13CA]-Trp' 'All Trp residues labeled 95 percent with 13C in the CA position' 1276 101 NMR-STAR stop_ save_ save__Sample_component.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Assembly_ID' _Item.ID 1277 _Item.Name '_Sample_component.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Sample_component.Assembly_label _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Assembly_label' _Item.ID 1278 _Item.Name '_Sample_component.Assembly_label' _Item.Description ; Pointer to a save frame of the category assembly. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Sample_component.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Entity_ID' _Item.ID 1279 _Item.Name '_Sample_component.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Sample_component.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Entity_label' _Item.ID 1280 _Item.Name '_Sample_component.Entity_label' _Item.Description ; Pointer to a save frame of the category entity. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Sample_component.Product_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Product_ID' _Item.ID 1281 _Item.Name '_Sample_component.Product_ID' _Item.Description ; Not currently modeled. This ID would be a pointer to the categories describing the production and purification of the sample component. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Sample_component.Type _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Type' _Item.ID 1282 _Item.Name '_Sample_component.Type' _Item.Description ; Enter the class of molecule ( proteins DNA buffer salt) to which the sample component belongs. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_component.Concentration_val _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Concentration_val' _Item.ID 1283 _Item.Name '_Sample_component.Concentration_val' _Item.Description ; Value for the concentration of the sample component (units will be entered below). ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_component.Concentration_val_min _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Concentration_val_min' _Item.ID 1284 _Item.Name '_Sample_component.Concentration_val_min' _Item.Description ; If entering a range for the concentration of the component provide the minimal value. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample_component.Concentration_val_max _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Concentration_val_max' _Item.ID 1285 _Item.Name '_Sample_component.Concentration_val_max' _Item.Description ; If entering a range for the concentration of the sample component provide the maximal value. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample_component.Concentration_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Concentration_val_units' _Item.ID 1286 _Item.Name '_Sample_component.Concentration_val_units' _Item.Description ; Units used to express the concentration of the sample component. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample_component.Concentration_val_units' M Molar 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' mM millimolar 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' uM micromolar 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' nM nanomolar 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' % percent 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' v/v 'volume to volume' 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' w/v 'weight to volume percent' 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' mg 'milligram' 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' ug 'microgram' 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' mg/mL 'mg per milliliter' 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' g/L 'grams per liter' 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' pM picomolar 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' w/w ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' '% v/v' ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' '% w/v' ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' '% w/w' ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' mg/L ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' mg/uL ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' ug/mL ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' ug/uL ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' mL ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' uL ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' A260 ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' eq ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' ratio ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' saturated ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' tablet/100mL ? 1286 101 NMR-STAR '_Sample_component.Concentration_val_units' na ? 1286 101 NMR-STAR stop_ save_ save__Sample_component.Concentration_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Concentration_val_err' _Item.ID 1287 _Item.Name '_Sample_component.Concentration_val_err' _Item.Description ; Estimate for the standard error associated with the concentration value of the sample component. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Sample_component.Vendor _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Vendor' _Item.ID 1288 _Item.Name '_Sample_component.Vendor' _Item.Description ; The name of the vendor for a sample component. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_component.Vendor_product_name _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Vendor_product_name' _Item.ID 1289 _Item.Name '_Sample_component.Vendor_product_name' _Item.Description ; The product name assigned by the vendor. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_component.Vendor_product_code _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Vendor_product_code' _Item.ID 1290 _Item.Name '_Sample_component.Vendor_product_code' _Item.Description ; The product code assigned by the vendor. ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_component.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Sf_ID' _Item.ID 1291 _Item.Name '_Sample_component.Sf_ID' _Item.Description ; Pointer to '_Sample.Sf_ID' ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Entry_ID' _Item.ID 1292 _Item.Name '_Sample_component.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_component.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component.Sample_ID' _Item.ID 1293 _Item.Name '_Sample_component.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 101 _Item.Category_label $Sample_component _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Sample_component_atom_isotope _Category.Sf_category category_description _Category.Sf_framecode Sample_component_atom_isotope _Category.ID 102 _Category.Name 'Sample_component_atom_isotope' _category.Description ; Items in the sample_component_atom_isotope category provide information about the isotopic labeling of individual atom in a component of a sample when complex patterns of selective isotopic labeling are used. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 14 _Category.Category_group_name sample _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1294 $_Sample_component_atom_isotope.Sample_component_ID '_Sample_component_atom_isotope.Sample_component_ID' 1297 $_Sample_component_atom_isotope.Entity_ID '_Sample_component_atom_isotope.Entity_ID' 1301 $_Sample_component_atom_isotope.Comp_index_ID '_Sample_component_atom_isotope.Comp_index_ID' 1303 $_Sample_component_atom_isotope.Atom_ID '_Sample_component_atom_isotope.Atom_ID' 1305 $_Sample_component_atom_isotope.Atom_isotope_number '_Sample_component_atom_isotope.Atom_isotope_number' 1313 $_Sample_component_atom_isotope.Entry_ID '_Sample_component_atom_isotope.Entry_ID' 1314 $_Sample_component_atom_isotope.Sample_ID '_Sample_component_atom_isotope.Sample_ID' 102 NMR-STAR stop_ save_ save__Sample_component_atom_isotope.Sample_component_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Sample_component_ID' _Item.ID 1294 _Item.Name '_Sample_component_atom_isotope.Sample_component_ID' _Item.Description ; Pointer to '_Sample_component.ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Mol_common_name _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Mol_common_name' _Item.ID 1295 _Item.Name '_Sample_component_atom_isotope.Mol_common_name' _Item.Description ; A common name used for the labaled chemical compound. ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_component_atom_isotope.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Assembly_atom_ID' _Item.ID 1296 _Item.Name '_Sample_component_atom_isotope.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Entity_ID' _Item.ID 1297 _Item.Name '_Sample_component_atom_isotope.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Entity_label' _Item.ID 1298 _Item.Name '_Sample_component_atom_isotope.Entity_label' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Sample_component_atom_isotope.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Comp_ID' _Item.ID 1299 _Item.Name '_Sample_component_atom_isotope.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Comp_isotope_label_code _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Comp_isotope_label_code' _Item.ID 1300 _Item.Name '_Sample_component_atom_isotope.Comp_isotope_label_code' _Item.Description ; A code that uniquely defines the atoms that are isotopically labeled in a chemical component. ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Comp_index_ID' _Item.ID 1301 _Item.Name '_Sample_component_atom_isotope.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Seq_ID' _Item.ID 1302 _Item.Name '_Sample_component_atom_isotope.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Atom_ID' _Item.ID 1303 _Item.Name '_Sample_component_atom_isotope.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Sample_component_atom_isotope.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Atom_type' _Item.ID 1304 _Item.Name '_Sample_component_atom_isotope.Atom_type' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Atom_isotope_number' _Item.ID 1305 _Item.Name '_Sample_component_atom_isotope.Atom_isotope_number' _Item.Description ; The mass number for the chemical element (number of protons plus number of neutrons in the nucleus). ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Label_pct _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Label_pct' _Item.ID 1306 _Item.Name '_Sample_component_atom_isotope.Label_pct' _Item.Description ; The percentage of the atoms at this site that are labeled with the designated isotope. ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Sample_component_atom_isotope.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Auth_entity_assembly_ID' _Item.ID 1307 _Item.Name '_Sample_component_atom_isotope.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Auth_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Auth_entity_ID' _Item.ID 1308 _Item.Name '_Sample_component_atom_isotope.Auth_entity_ID' _Item.Description ; An alternative identifier for Entity_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Auth_seq_ID' _Item.ID 1309 _Item.Name '_Sample_component_atom_isotope.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Auth_comp_ID' _Item.ID 1310 _Item.Name '_Sample_component_atom_isotope.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Auth_atom_ID' _Item.ID 1311 _Item.Name '_Sample_component_atom_isotope.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Sf_ID' _Item.ID 1312 _Item.Name '_Sample_component_atom_isotope.Sf_ID' _Item.Description ; Pointer to '_Sample.Sf_ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_component_atom_isotope.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Entry_ID' _Item.ID 1313 _Item.Name '_Sample_component_atom_isotope.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_component_atom_isotope.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_component_atom_isotope.Sample_ID' _Item.ID 1314 _Item.Name '_Sample_component_atom_isotope.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 102 _Item.Category_label $Sample_component_atom_isotope _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Sample_citation _Category.Sf_category category_description _Category.Sf_framecode Sample_citation _Category.ID 103 _Category.Name 'Sample_citation' _category.Description ; Items in the sample_citation category provide links to the citations category where reference citations with information about a sample or its preparation can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 14 _Category.Category_group_name sample _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1315 $_Sample_citation.Citation_ID '_Sample_citation.Citation_ID' 1318 $_Sample_citation.Entry_ID '_Sample_citation.Entry_ID' 1319 $_Sample_citation.Sample_ID '_Sample_citation.Sample_ID' 103 NMR-STAR stop_ save_ save__Sample_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_citation.Citation_ID' _Item.ID 1315 _Item.Name '_Sample_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 103 _Item.Category_label $Sample_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Sample_citation.Citation_label' _Item.ID 1316 _Item.Name '_Sample_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 103 _Item.Category_label $Sample_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Sample_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_citation.Sf_ID' _Item.ID 1317 _Item.Name '_Sample_citation.Sf_ID' _Item.Description ; Pointer to '_Sample.Sf_ID' ; _Item.Category_ID 103 _Item.Category_label $Sample_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_citation.Entry_ID' _Item.ID 1318 _Item.Name '_Sample_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 103 _Item.Category_label $Sample_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_citation.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_citation.Sample_ID' _Item.ID 1319 _Item.Name '_Sample_citation.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 103 _Item.Category_label $Sample_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Sample_condition_list _Category.Sf_category category_description _Category.Sf_framecode Sample_condition_list _Category.ID 104 _Category.Name 'Sample_condition_list' _category.Description ; Items in the sample_conditions_list define a unique set of sample conditions. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 15 _Category.Category_group_name sample_conditions _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1322 $_Sample_condition_list.Entry_ID '_Sample_condition_list.Entry_ID' 1324 $_Sample_condition_list.ID '_Sample_condition_list.ID' 104 NMR-STAR stop_ save_ save__Sample_condition_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.Sf_category' _Item.ID 1320 _Item.Name '_Sample_condition_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_condition_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.Sf_framecode' _Item.ID 1321 _Item.Name '_Sample_condition_list.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this set of sample conditions within an entry. ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Sample_condition_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.Entry_ID' _Item.ID 1322 _Item.Name '_Sample_condition_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_condition_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.Sf_ID' _Item.ID 1323 _Item.Name '_Sample_condition_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Sample_condition_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.ID' _Item.ID 1324 _Item.Name '_Sample_condition_list.ID' _Item.Description ; A value that uniquely identifies the set of sample conditions from other sample ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Sample_condition_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.Name' _Item.ID 1325 _Item.Name '_Sample_condition_list.Name' _Item.Description ; A descriptive name that uniquely identifies this set of sample conditions within the entry. ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_condition_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_list.Details' _Item.ID 1326 _Item.Name '_Sample_condition_list.Details' _Item.Description ; General details describing conditions of both the sample and the environment during measurements. ; _Item.Category_ID 104 _Item.Category_label $Sample_condition_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Sample_condition_variable _Category.Sf_category category_description _Category.Sf_framecode Sample_condition_variable _Category.ID 105 _Category.Name 'Sample_condition_variable' _category.Description ; Items in the sample_condition_variable category define specific sample conditions like temperature or pH and the values for the sample conditions used in collecting experimental data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 15 _Category.Category_group_name sample_conditions _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1327 $_Sample_condition_variable.Type '_Sample_condition_variable.Type' 1332 $_Sample_condition_variable.Entry_ID '_Sample_condition_variable.Entry_ID' 1333 $_Sample_condition_variable.Sample_condition_list_ID '_Sample_condition_variable.Sample_condition_list_ID' 105 NMR-STAR stop_ save_ save__Sample_condition_variable.Type _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Type' _Item.ID 1327 _Item.Name '_Sample_condition_variable.Type' _Item.Description ; The variable used to define a specific sample condition (i.e., temperature)used when conducting experiments used to derive the experimental data included in the file. ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample_condition_variable.Type' pH ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' pH* ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' pD ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' temperature ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' pressure ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' 'ionic strength' ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' viscosity ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' 'dielectric constant' ? 1327 105 NMR-STAR '_Sample_condition_variable.Type' 'temperature controller setting' ? 1327 105 NMR-STAR stop_ save_ save__Sample_condition_variable.Val _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Val' _Item.ID 1328 _Item.Name '_Sample_condition_variable.Val' _Item.Description ; Value for the variable (temperature pressure pH). Units will be listed below. ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_condition_variable.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Val_err' _Item.ID 1329 _Item.Name '_Sample_condition_variable.Val_err' _Item.Description ; Estimate the standard error on the value for the sample condition. ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Sample_condition_variable.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Val_units' _Item.ID 1330 _Item.Name '_Sample_condition_variable.Val_units' _Item.Description ; Units for the value of the sample condition (temperature pressure pH). ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Sample_condition_variable.Val_units' Pa "Pascal, 1 Pa = 1 N m^-2" 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' bar "bar, 1 bar = 10^5 Pa" 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' atm ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' mmHg ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' Torr ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' mbar millibar 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' K Kelvin 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' C ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' pH ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' M ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' mM ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' P ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' cP ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' m^2/s ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' Pa.s ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' 'Not defined' ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' hPa "hecto Pascal" 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' pD ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' pH* ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' % ? 1330 105 NMR-STAR '_Sample_condition_variable.Val_units' s second 1330 105 NMR-STAR stop_ save_ save__Sample_condition_variable.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Sf_ID' _Item.ID 1331 _Item.Name '_Sample_condition_variable.Sf_ID' _Item.Description ; Pointer to '_Sample_condition_list.Sf_ID' ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_condition_variable.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Entry_ID' _Item.ID 1332 _Item.Name '_Sample_condition_variable.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_condition_variable.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_variable.Sample_condition_list_ID' _Item.ID 1333 _Item.Name '_Sample_condition_variable.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 105 _Item.Category_label $Sample_condition_variable _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Sample_condition_citation _Category.Sf_category category_description _Category.Sf_framecode Sample_condition_citation _Category.ID 106 _Category.Name 'Sample_condition_citation' _category.Description ; Items in the sample_condition_citation category provide links to the citations category where reference citations with information about a set of sample conditions and their use can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 15 _Category.Category_group_name sample_conditions _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1337 $_Sample_condition_citation.Entry_ID '_Sample_condition_citation.Entry_ID' 1338 $_Sample_condition_citation.Sample_condition_list_ID '_Sample_condition_citation.Sample_condition_list_ID' 106 NMR-STAR stop_ save_ save__Sample_condition_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_citation.Citation_ID' _Item.ID 1334 _Item.Name '_Sample_condition_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 106 _Item.Category_label $Sample_condition_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_condition_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_citation.Citation_label' _Item.ID 1335 _Item.Name '_Sample_condition_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 106 _Item.Category_label $Sample_condition_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Sample_condition_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_citation.Sf_ID' _Item.ID 1336 _Item.Name '_Sample_condition_citation.Sf_ID' _Item.Description ; Pointer to '_Sample_condition_list.Sf_ID' ; _Item.Category_ID 106 _Item.Category_label $Sample_condition_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Sample_condition_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_citation.Entry_ID' _Item.ID 1337 _Item.Name '_Sample_condition_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 106 _Item.Category_label $Sample_condition_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Sample_condition_citation.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Sample_condition_citation.Sample_condition_list_ID' _Item.ID 1338 _Item.Name '_Sample_condition_citation.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 106 _Item.Category_label $Sample_condition_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_purity_list _Category.Sf_category category_description _Category.Sf_framecode Entity_purity_list _Category.ID 107 _Category.Name 'Entity_purity_list' _category.Description ; Items in the entity_purity_list category define a unique set of information about the purity of molecular entities in samples used to collect experimental data. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 16 _Category.Category_group_name molecule_purity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1341 $_Entity_purity_list.Entry_ID '_Entity_purity_list.Entry_ID' 1343 $_Entity_purity_list.ID '_Entity_purity_list.ID' 107 NMR-STAR stop_ save_ save__Entity_purity_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_list.Sf_category' _Item.ID 1339 _Item.Name '_Entity_purity_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 107 _Item.Category_label $Entity_purity_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_purity_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_list.Sf_framecode' _Item.ID 1340 _Item.Name '_Entity_purity_list.Sf_framecode' _Item.Description ; A descriptive label for this set of molecule purity values. ; _Item.Category_ID 107 _Item.Category_label $Entity_purity_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_purity_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_list.Entry_ID' _Item.ID 1341 _Item.Name '_Entity_purity_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 107 _Item.Category_label $Entity_purity_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_purity_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_list.Sf_ID' _Item.ID 1342 _Item.Name '_Entity_purity_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 107 _Item.Category_label $Entity_purity_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_purity_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_list.ID' _Item.ID 1343 _Item.Name '_Entity_purity_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame from other save frames in the entry of the same category. ; _Item.Category_ID 107 _Item.Category_label $Entity_purity_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Entity_purity_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_list.Details' _Item.ID 1344 _Item.Name '_Entity_purity_list.Details' _Item.Description ; Text providing additional information describing the purity of the molecules reported. ; _Item.Category_ID 107 _Item.Category_label $Entity_purity_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Entity_purity _Category.Sf_category category_description _Category.Sf_framecode Entity_purity _Category.ID 108 _Category.Name 'Entity_purity' _category.Description ; Items in the entity_purity category define the purity of a molecular entity in a sample. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 16 _Category.Category_group_name molecule_purity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1345 $_Entity_purity.ID '_Entity_purity.ID' 1355 $_Entity_purity.Entry_ID '_Entity_purity.Entry_ID' 1356 $_Entity_purity.Entity_purity_list_ID '_Entity_purity.Entity_purity_list_ID' 108 NMR-STAR stop_ save_ save__Entity_purity.ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.ID' _Item.ID 1345 _Item.Name '_Entity_purity.ID' _Item.Description ; An integer value that uniquely identifies the purity value in the table of reported purity values in the entry. ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_purity.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Sample_ID' _Item.ID 1346 _Item.Name '_Entity_purity.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Entity_purity.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Sample_label' _Item.ID 1347 _Item.Name '_Entity_purity.Sample_label' _Item.Description ; Pointer to a save frame of the category sample. ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code no _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Entity_purity.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Entity_ID' _Item.ID 1348 _Item.Name '_Entity_purity.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_purity.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Entity_label' _Item.ID 1349 _Item.Name '_Entity_purity.Entity_label' _Item.Description ; Pointer to a save frame of the category entity. ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_purity.Val _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Val' _Item.ID 1350 _Item.Name '_Entity_purity.Val' _Item.Description ; Purity value ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Entity_purity.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Val_units' _Item.ID 1351 _Item.Name '_Entity_purity.Val_units' _Item.Description ; Units for the reported purity value. ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity_purity.Measurement_method _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Measurement_method' _Item.ID 1352 _Item.Name '_Entity_purity.Measurement_method' _Item.Description ; Technique used to determine the purity of the molecule. ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Entity_purity.Details _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Details' _Item.ID 1353 _Item.Name '_Entity_purity.Details' _Item.Description ; Text describing the reported purity values and measurements. ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Entity_purity.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Sf_ID' _Item.ID 1354 _Item.Name '_Entity_purity.Sf_ID' _Item.Description ; Pointer to '_Entity_purity_list.Sf_ID' ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_purity.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Entry_ID' _Item.ID 1355 _Item.Name '_Entity_purity.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_purity.Entity_purity_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity.Entity_purity_list_ID' _Item.ID 1356 _Item.Name '_Entity_purity.Entity_purity_list_ID' _Item.Description ; Pointer to '_Entity_purity_list.ID' ; _Item.Category_ID 108 _Item.Category_label $Entity_purity _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Entity_purity_citation _Category.Sf_category category_description _Category.Sf_framecode Entity_purity_citation _Category.ID 109 _Category.Name 'Entity_purity_citation' _category.Description ; Items in the entity_purity_citation provide links to the citations category where literature references can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 16 _Category.Category_group_name molecule_purity _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1357 $_Entity_purity_citation.Citation_ID '_Entity_purity_citation.Citation_ID' 1360 $_Entity_purity_citation.Entry_ID '_Entity_purity_citation.Entry_ID' 1361 $_Entity_purity_citation.Entity_purity_list_ID '_Entity_purity_citation.Entity_purity_list_ID' 109 NMR-STAR stop_ save_ save__Entity_purity_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_citation.Citation_ID' _Item.ID 1357 _Item.Name '_Entity_purity_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 109 _Item.Category_label $Entity_purity_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_purity_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_citation.Citation_label' _Item.ID 1358 _Item.Name '_Entity_purity_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 109 _Item.Category_label $Entity_purity_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Entity_purity_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_citation.Sf_ID' _Item.ID 1359 _Item.Name '_Entity_purity_citation.Sf_ID' _Item.Description ; Pointer to '_Entity_purity_list.Sf_ID' ; _Item.Category_ID 109 _Item.Category_label $Entity_purity_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Entity_purity_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_citation.Entry_ID' _Item.ID 1360 _Item.Name '_Entity_purity_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 109 _Item.Category_label $Entity_purity_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Entity_purity_citation.Entity_purity_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Entity_purity_citation.Entity_purity_list_ID' _Item.ID 1361 _Item.Name '_Entity_purity_citation.Entity_purity_list_ID' _Item.Description ; Pointer to '_Entity_purity_list.ID' ; _Item.Category_ID 109 _Item.Category_label $Entity_purity_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Software _Category.Sf_category category_description _Category.Sf_framecode Software _Category.ID 110 _Category.Name 'Software' _category.Description ; Items in the software category describe software applications. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 17 _Category.Category_group_name software _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1364 $_Software.Entry_ID '_Software.Entry_ID' 1366 $_Software.ID '_Software.ID' 110 NMR-STAR stop_ save_ save__Software.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Software.Sf_category' _Item.ID 1362 _Item.Name '_Software.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Software.Sf_framecode' _Item.ID 1363 _Item.Name '_Software.Sf_framecode' _Item.Description ; A label that uniquely identifies the software from other software listed in the entry. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Software.Sf_framecode' 3DNA ? 1363 110 NMR-STAR '_Software.Sf_framecode' 4D-CHAINS ? 1363 110 NMR-STAR '_Software.Sf_framecode' ABACUS ? 1363 110 NMR-STAR '_Software.Sf_framecode' ADAPT-NMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' AMBER ? 1363 110 NMR-STAR '_Software.Sf_framecode' ANALYSIS 'CcpNMR Analysis' 1363 110 NMR-STAR '_Software.Sf_framecode' AngleSearch ? 1363 110 NMR-STAR '_Software.Sf_framecode' ANSIG ? 1363 110 NMR-STAR '_Software.Sf_framecode' AQUA ? 1363 110 NMR-STAR '_Software.Sf_framecode' ARIA ? 1363 110 NMR-STAR '_Software.Sf_framecode' ARIA2 ? 1363 110 NMR-STAR '_Software.Sf_framecode' ATHNOS-CANDID ? 1363 110 NMR-STAR '_Software.Sf_framecode' AURELIA ? 1363 110 NMR-STAR '_Software.Sf_framecode' AS-DP ? 1363 110 NMR-STAR '_Software.Sf_framecode' ATNOS ? 1363 110 NMR-STAR '_Software.Sf_framecode' ATSAS ? 1363 110 NMR-STAR '_Software.Sf_framecode' AUREMOL ? 1363 110 NMR-STAR '_Software.Sf_framecode' AutoAssign ? 1363 110 NMR-STAR '_Software.Sf_framecode' AutoDep ? 1363 110 NMR-STAR '_Software.Sf_framecode' AutoStruct ? 1363 110 NMR-STAR '_Software.Sf_framecode' AVS ? 1363 110 NMR-STAR '_Software.Sf_framecode' AZARA ? 1363 110 NMR-STAR '_Software.Sf_framecode' BATMAN 'small molecule' 1363 110 NMR-STAR '_Software.Sf_framecode' calRW ? 1363 110 NMR-STAR '_Software.Sf_framecode' CANDID ? 1363 110 NMR-STAR '_Software.Sf_framecode' CARA ? 1363 110 NMR-STAR '_Software.Sf_framecode' CATIA ? 1363 110 NMR-STAR '_Software.Sf_framecode' CcpNMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' CH3Shift ? 1363 110 NMR-STAR '_Software.Sf_framecode' Chimera ? 1363 110 NMR-STAR '_Software.Sf_framecode' CING ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'CLUSTAL W/X' ? 1363 110 NMR-STAR '_Software.Sf_framecode' CNS ? 1363 110 NMR-STAR '_Software.Sf_framecode' CNSSOLVE ? 1363 110 NMR-STAR '_Software.Sf_framecode' CoMD/NMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' COMPASS ? 1363 110 NMR-STAR '_Software.Sf_framecode' CONNJURST ? 1363 110 NMR-STAR '_Software.Sf_framecode' CONNJURWB ? 1363 110 NMR-STAR '_Software.Sf_framecode' CORMA ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'CPMG-Fit (Korzhnev)' ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'CPMGFit (Palmer)' ? 1363 110 NMR-STAR '_Software.Sf_framecode' CSI ? 1363 110 NMR-STAR '_Software.Sf_framecode' CS-Rosetta ? 1363 110 NMR-STAR '_Software.Sf_framecode' CURVES ? 1363 110 NMR-STAR '_Software.Sf_framecode' CYANA ? 1363 110 NMR-STAR '_Software.Sf_framecode' DANGLE ? 1363 110 NMR-STAR '_Software.Sf_framecode' DIAMOD ? 1363 110 NMR-STAR '_Software.Sf_framecode' DISCOVER ? 1363 110 NMR-STAR '_Software.Sf_framecode' DYANA ? 1363 110 NMR-STAR '_Software.Sf_framecode' DYNAMO ? 1363 110 NMR-STAR '_Software.Sf_framecode' FASTModelFree ? 1363 110 NMR-STAR '_Software.Sf_framecode' FMCGUI ? 1363 110 NMR-STAR '_Software.Sf_framecode' FuDA ? 1363 110 NMR-STAR '_Software.Sf_framecode' GARANT ? 1363 110 NMR-STAR '_Software.Sf_framecode' Gaussian ? 1363 110 NMR-STAR '_Software.Sf_framecode' GIFA ? 1363 110 NMR-STAR '_Software.Sf_framecode' GISSMO 'small molecule' 1363 110 NMR-STAR '_Software.Sf_framecode' GROMACS ? 1363 110 NMR-STAR '_Software.Sf_framecode' GROMOS ? 1363 110 NMR-STAR '_Software.Sf_framecode' GUARDD ? 1363 110 NMR-STAR '_Software.Sf_framecode' HADDOCK ? 1363 110 NMR-STAR '_Software.Sf_framecode' HYPER ? 1363 110 NMR-STAR '_Software.Sf_framecode' istHMS ? 1363 110 NMR-STAR '_Software.Sf_framecode' j-UNIO ? 1363 110 NMR-STAR '_Software.Sf_framecode' MAGRO ? 1363 110 NMR-STAR '_Software.Sf_framecode' MARDIGRAS ? 1363 110 NMR-STAR '_Software.Sf_framecode' MARS ? 1363 110 NMR-STAR '_Software.Sf_framecode' MD2NOE ? 1363 110 NMR-STAR '_Software.Sf_framecode' Mathematica ? 1363 110 NMR-STAR '_Software.Sf_framecode' MATLAB ? 1363 110 NMR-STAR '_Software.Sf_framecode' MDAnalysis ? 1363 110 NMR-STAR '_Software.Sf_framecode' MddNMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' MestReNova ? 1363 110 NMR-STAR '_Software.Sf_framecode' MetaboAnalystR 'small molecule' 1363 110 NMR-STAR '_Software.Sf_framecode' MetScape 'small molecule' 1363 110 NMR-STAR '_Software.Sf_framecode' ModelFree ? 1363 110 NMR-STAR '_Software.Sf_framecode' Molmol ? 1363 110 NMR-STAR '_Software.Sf_framecode' MolProbity ? 1363 110 NMR-STAR '_Software.Sf_framecode' MORASS ? 1363 110 NMR-STAR '_Software.Sf_framecode' MoSART ? 1363 110 NMR-STAR '_Software.Sf_framecode' MVAPACK 'small molecule' 1363 110 NMR-STAR '_Software.Sf_framecode' NAMD ? 1363 110 NMR-STAR '_Software.Sf_framecode' NESSY ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRbox ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRDraw ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRest ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRFAM-SPARKY ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRFx ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'NMRFx Analyst' ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'NMRFx Processor' ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'NMRFx Structure' ? 1363 110 NMR-STAR '_Software.Sf_framecode' nmrglue ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRPipe ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRspy ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRView ? 1363 110 NMR-STAR '_Software.Sf_framecode' NMRViewJ ? 1363 110 NMR-STAR '_Software.Sf_framecode' NOAH ? 1363 110 NMR-STAR '_Software.Sf_framecode' nus-tool ? 1363 110 NMR-STAR '_Software.Sf_framecode' Olivia ? 1363 110 NMR-STAR '_Software.Sf_framecode' OPAL ? 1363 110 NMR-STAR '_Software.Sf_framecode' OPALp ? 1363 110 NMR-STAR '_Software.Sf_framecode' Origin ? 1363 110 NMR-STAR '_Software.Sf_framecode' PALES ? 1363 110 NMR-STAR '_Software.Sf_framecode' PDBStat ? 1363 110 NMR-STAR '_Software.Sf_framecode' PECAN ? 1363 110 NMR-STAR '_Software.Sf_framecode' PINE ? 1363 110 NMR-STAR '_Software.Sf_framecode' PIPP ? 1363 110 NMR-STAR '_Software.Sf_framecode' PISTACHIO ? 1363 110 NMR-STAR '_Software.Sf_framecode' PONDEROSA ? 1363 110 NMR-STAR '_Software.Sf_framecode' Procheck ? 1363 110 NMR-STAR '_Software.Sf_framecode' ProcheckNMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' PRONTO ? 1363 110 NMR-STAR '_Software.Sf_framecode' PROSA ? 1363 110 NMR-STAR '_Software.Sf_framecode' PSVS ? 1363 110 NMR-STAR '_Software.Sf_framecode' PyMOL ? 1363 110 NMR-STAR '_Software.Sf_framecode' qMDD ? 1363 110 NMR-STAR '_Software.Sf_framecode' QUEEN ? 1363 110 NMR-STAR '_Software.Sf_framecode' REDCAT ? 1363 110 NMR-STAR '_Software.Sf_framecode' REDCRAFT ? 1363 110 NMR-STAR '_Software.Sf_framecode' Relax ? 1363 110 NMR-STAR '_Software.Sf_framecode' RNAstructure ? 1363 110 NMR-STAR '_Software.Sf_framecode' rNMR 'small molecule' 1363 110 NMR-STAR '_Software.Sf_framecode' RNMRTK ? 1363 110 NMR-STAR '_Software.Sf_framecode' Rosetta ? 1363 110 NMR-STAR '_Software.Sf_framecode' SANE ? 1363 110 NMR-STAR '_Software.Sf_framecode' SCRUB ? 1363 110 NMR-STAR '_Software.Sf_framecode' SHIFTS ? 1363 110 NMR-STAR '_Software.Sf_framecode' ShiftX ? 1363 110 NMR-STAR '_Software.Sf_framecode' ShiftX2 ? 1363 110 NMR-STAR '_Software.Sf_framecode' SMILE ? 1363 110 NMR-STAR '_Software.Sf_framecode' SPARKY ? 1363 110 NMR-STAR '_Software.Sf_framecode' SPARTA ? 1363 110 NMR-STAR '_Software.Sf_framecode' SPARTA+ ? 1363 110 NMR-STAR '_Software.Sf_framecode' SPSCAN ? 1363 110 NMR-STAR '_Software.Sf_framecode' SYBYL ? 1363 110 NMR-STAR '_Software.Sf_framecode' TALOS ? 1363 110 NMR-STAR '_Software.Sf_framecode' TALOS+ ? 1363 110 NMR-STAR '_Software.Sf_framecode' TALOS-N ? 1363 110 NMR-STAR '_Software.Sf_framecode' TANSY ? 1363 110 NMR-STAR '_Software.Sf_framecode' Tensor ? 1363 110 NMR-STAR '_Software.Sf_framecode' TINKER ? 1363 110 NMR-STAR '_Software.Sf_framecode' TOPSPIN ? 1363 110 NMR-STAR '_Software.Sf_framecode' UNIO ? 1363 110 NMR-STAR '_Software.Sf_framecode' UNIO-MATCH ? 1363 110 NMR-STAR '_Software.Sf_framecode' UXNMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' VMD ? 1363 110 NMR-STAR '_Software.Sf_framecode' VMD-Xplor ? 1363 110 NMR-STAR '_Software.Sf_framecode' VNMR ? 1363 110 NMR-STAR '_Software.Sf_framecode' VNMRj ? 1363 110 NMR-STAR '_Software.Sf_framecode' WhatIF ? 1363 110 NMR-STAR '_Software.Sf_framecode' XEASY ? 1363 110 NMR-STAR '_Software.Sf_framecode' X-PLOR ? 1363 110 NMR-STAR '_Software.Sf_framecode' 'X-PLOR NIH' ? 1363 110 NMR-STAR '_Software.Sf_framecode' xwinnmr ? 1363 110 NMR-STAR '_Software.Sf_framecode' YASARA ? 1363 110 NMR-STAR stop_ save_ save__Software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software.Entry_ID' _Item.ID 1364 _Item.Name '_Software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software.Sf_ID' _Item.ID 1365 _Item.Name '_Software.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software.ID _Item.Sf_category item_description _Item.Sf_framecode '_Software.ID' _Item.ID 1366 _Item.Name '_Software.ID' _Item.Description ; A value that uniquely identifies the software from other software listed in the entry. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software.Type _Item.Sf_category item_description _Item.Sf_framecode '_Software.Type' _Item.ID 1367 _Item.Name '_Software.Type' _Item.Description ; A value that attempts to classify software applications. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Software.Type' 'NUS schedule generator' ? 1367 110 NMR-STAR '_Software.Type' 'structure calculation' ? 1367 110 NMR-STAR '_Software.Type' 'test lex' ? 1367 110 NMR-STAR stop_ save_ save__Software.Name _Item.Sf_category item_description _Item.Sf_framecode '_Software.Name' _Item.ID 1368 _Item.Name '_Software.Name' _Item.Description ; The name of the software defined by the author or provider of the software. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Software.Name' 3DNA ? 1368 110 NMR-STAR '_Software.Name' 4D-CHAINS ? 1368 110 NMR-STAR '_Software.Name' ABACUS ? 1368 110 NMR-STAR '_Software.Name' ADAPT-NMR ? 1368 110 NMR-STAR '_Software.Name' AMBER ? 1368 110 NMR-STAR '_Software.Name' ANALYSIS 'CcpNMR Analysis' 1368 110 NMR-STAR '_Software.Name' AngleSearch ? 1368 110 NMR-STAR '_Software.Name' ANSIG ? 1368 110 NMR-STAR '_Software.Name' AQUA ? 1368 110 NMR-STAR '_Software.Name' ARIA ? 1368 110 NMR-STAR '_Software.Name' ARIA2 ? 1368 110 NMR-STAR '_Software.Name' ATHNOS-CANDID ? 1368 110 NMR-STAR '_Software.Name' AURELIA ? 1368 110 NMR-STAR '_Software.Name' AS-DP ? 1368 110 NMR-STAR '_Software.Name' ATNOS ? 1368 110 NMR-STAR '_Software.Name' ATSAS ? 1368 110 NMR-STAR '_Software.Name' AUREMOL ? 1368 110 NMR-STAR '_Software.Name' AutoAssign ? 1368 110 NMR-STAR '_Software.Name' AutoDep ? 1368 110 NMR-STAR '_Software.Name' AutoStruct ? 1368 110 NMR-STAR '_Software.Name' AVS ? 1368 110 NMR-STAR '_Software.Name' AZARA ? 1368 110 NMR-STAR '_Software.Name' BATMAN 'small molecule' 1368 110 NMR-STAR '_Software.Name' calRW ? 1368 110 NMR-STAR '_Software.Name' CANDID ? 1368 110 NMR-STAR '_Software.Name' CARA ? 1368 110 NMR-STAR '_Software.Name' CATIA ? 1368 110 NMR-STAR '_Software.Name' CcpNMR ? 1368 110 NMR-STAR '_Software.Name' CH3Shift ? 1368 110 NMR-STAR '_Software.Name' Chimera ? 1368 110 NMR-STAR '_Software.Name' CING ? 1368 110 NMR-STAR '_Software.Name' 'CLUSTAL W/X' ? 1368 110 NMR-STAR '_Software.Name' CNS ? 1368 110 NMR-STAR '_Software.Name' CNSSOLVE ? 1368 110 NMR-STAR '_Software.Name' CoMD/NMR ? 1368 110 NMR-STAR '_Software.Name' COMPASS ? 1368 110 NMR-STAR '_Software.Name' CONNJURST ? 1368 110 NMR-STAR '_Software.Name' CONNJURWB ? 1368 110 NMR-STAR '_Software.Name' CORMA ? 1368 110 NMR-STAR '_Software.Name' 'CPMG-Fit (Korzhnev)' ? 1368 110 NMR-STAR '_Software.Name' 'CPMGFit (Palmer)' ? 1368 110 NMR-STAR '_Software.Name' CSI ? 1368 110 NMR-STAR '_Software.Name' CS-Rosetta ? 1368 110 NMR-STAR '_Software.Name' CURVES ? 1368 110 NMR-STAR '_Software.Name' CYANA ? 1368 110 NMR-STAR '_Software.Name' DANGLE ? 1368 110 NMR-STAR '_Software.Name' DIAMOD ? 1368 110 NMR-STAR '_Software.Name' DISCOVER ? 1368 110 NMR-STAR '_Software.Name' DYANA ? 1368 110 NMR-STAR '_Software.Name' DYNAMO ? 1368 110 NMR-STAR '_Software.Name' FASTModelFree ? 1368 110 NMR-STAR '_Software.Name' FMCGUI ? 1368 110 NMR-STAR '_Software.Name' FuDA ? 1368 110 NMR-STAR '_Software.Name' GARANT ? 1368 110 NMR-STAR '_Software.Name' Gaussian ? 1368 110 NMR-STAR '_Software.Name' GIFA ? 1368 110 NMR-STAR '_Software.Name' GISSMO 'small molecule' 1368 110 NMR-STAR '_Software.Name' GROMACS ? 1368 110 NMR-STAR '_Software.Name' GROMOS ? 1368 110 NMR-STAR '_Software.Name' GUARDD ? 1368 110 NMR-STAR '_Software.Name' HADDOCK ? 1368 110 NMR-STAR '_Software.Name' HYPER ? 1368 110 NMR-STAR '_Software.Name' istHMS ? 1368 110 NMR-STAR '_Software.Name' j-UNIO ? 1368 110 NMR-STAR '_Software.Name' MAGRO ? 1368 110 NMR-STAR '_Software.Name' MARDIGRAS ? 1368 110 NMR-STAR '_Software.Name' MARS ? 1368 110 NMR-STAR '_Software.Name' MD2NOE ? 1368 110 NMR-STAR '_Software.Name' Mathematica ? 1368 110 NMR-STAR '_Software.Name' MATLAB ? 1368 110 NMR-STAR '_Software.Name' MDAnalysis ? 1368 110 NMR-STAR '_Software.Name' MddNMR ? 1368 110 NMR-STAR '_Software.Name' MestReNova ? 1368 110 NMR-STAR '_Software.Name' MetaboAnalystR 'small molecule' 1368 110 NMR-STAR '_Software.Name' MetScape 'small molecule' 1368 110 NMR-STAR '_Software.Name' ModelFree ? 1368 110 NMR-STAR '_Software.Name' Molmol ? 1368 110 NMR-STAR '_Software.Name' MolProbity ? 1368 110 NMR-STAR '_Software.Name' MORASS ? 1368 110 NMR-STAR '_Software.Name' MoSART ? 1368 110 NMR-STAR '_Software.Name' MVAPACK 'small molecule' 1368 110 NMR-STAR '_Software.Name' NAMD ? 1368 110 NMR-STAR '_Software.Name' NESSY ? 1368 110 NMR-STAR '_Software.Name' NMRbox ? 1368 110 NMR-STAR '_Software.Name' NMRDraw ? 1368 110 NMR-STAR '_Software.Name' NMRest ? 1368 110 NMR-STAR '_Software.Name' NMRFAM-SPARKY ? 1368 110 NMR-STAR '_Software.Name' NMRFx ? 1368 110 NMR-STAR '_Software.Name' 'NMRFx Analyst' ? 1368 110 NMR-STAR '_Software.Name' 'NMRFx Processor' ? 1368 110 NMR-STAR '_Software.Name' 'NMRFx Structure' ? 1368 110 NMR-STAR '_Software.Name' nmrglue ? 1368 110 NMR-STAR '_Software.Name' NMRPipe ? 1368 110 NMR-STAR '_Software.Name' NMRspy ? 1368 110 NMR-STAR '_Software.Name' NMRView ? 1368 110 NMR-STAR '_Software.Name' NMRViewJ ? 1368 110 NMR-STAR '_Software.Name' NOAH ? 1368 110 NMR-STAR '_Software.Name' nus-tool ? 1368 110 NMR-STAR '_Software.Name' Olivia ? 1368 110 NMR-STAR '_Software.Name' OPAL ? 1368 110 NMR-STAR '_Software.Name' OPALp ? 1368 110 NMR-STAR '_Software.Name' Origin ? 1368 110 NMR-STAR '_Software.Name' PALES ? 1368 110 NMR-STAR '_Software.Name' PDBStat ? 1368 110 NMR-STAR '_Software.Name' PECAN ? 1368 110 NMR-STAR '_Software.Name' PINE ? 1368 110 NMR-STAR '_Software.Name' PIPP ? 1368 110 NMR-STAR '_Software.Name' PISTACHIO ? 1368 110 NMR-STAR '_Software.Name' PONDEROSA ? 1368 110 NMR-STAR '_Software.Name' Procheck ? 1368 110 NMR-STAR '_Software.Name' ProcheckNMR ? 1368 110 NMR-STAR '_Software.Name' PRONTO ? 1368 110 NMR-STAR '_Software.Name' PROSA ? 1368 110 NMR-STAR '_Software.Name' PSVS ? 1368 110 NMR-STAR '_Software.Name' PyMOL ? 1368 110 NMR-STAR '_Software.Name' qMDD ? 1368 110 NMR-STAR '_Software.Name' QUEEN ? 1368 110 NMR-STAR '_Software.Name' REDCAT ? 1368 110 NMR-STAR '_Software.Name' REDCRAFT ? 1368 110 NMR-STAR '_Software.Name' Relax ? 1368 110 NMR-STAR '_Software.Name' RNAstructure ? 1368 110 NMR-STAR '_Software.Name' rNMR 'small molecule' 1368 110 NMR-STAR '_Software.Name' RNMRTK ? 1368 110 NMR-STAR '_Software.Name' Rosetta ? 1368 110 NMR-STAR '_Software.Name' SANE ? 1368 110 NMR-STAR '_Software.Name' SCRUB ? 1368 110 NMR-STAR '_Software.Name' SHIFTS ? 1368 110 NMR-STAR '_Software.Name' ShiftX ? 1368 110 NMR-STAR '_Software.Name' ShiftX2 ? 1368 110 NMR-STAR '_Software.Name' SMILE ? 1368 110 NMR-STAR '_Software.Name' SPARKY ? 1368 110 NMR-STAR '_Software.Name' SPARTA ? 1368 110 NMR-STAR '_Software.Name' SPARTA+ ? 1368 110 NMR-STAR '_Software.Name' SPSCAN ? 1368 110 NMR-STAR '_Software.Name' SYBYL ? 1368 110 NMR-STAR '_Software.Name' TALOS ? 1368 110 NMR-STAR '_Software.Name' TALOS+ ? 1368 110 NMR-STAR '_Software.Name' TALOS-N ? 1368 110 NMR-STAR '_Software.Name' TANSY ? 1368 110 NMR-STAR '_Software.Name' Tensor ? 1368 110 NMR-STAR '_Software.Name' TINKER ? 1368 110 NMR-STAR '_Software.Name' TOPSPIN ? 1368 110 NMR-STAR '_Software.Name' UNIO ? 1368 110 NMR-STAR '_Software.Name' UNIO-MATCH ? 1368 110 NMR-STAR '_Software.Name' UXNMR ? 1368 110 NMR-STAR '_Software.Name' VMD ? 1368 110 NMR-STAR '_Software.Name' VMD-Xplor ? 1368 110 NMR-STAR '_Software.Name' VNMR ? 1368 110 NMR-STAR '_Software.Name' VNMRj ? 1368 110 NMR-STAR '_Software.Name' WhatIF ? 1368 110 NMR-STAR '_Software.Name' XEASY ? 1368 110 NMR-STAR '_Software.Name' X-PLOR ? 1368 110 NMR-STAR '_Software.Name' 'X-PLOR NIH' ? 1368 110 NMR-STAR '_Software.Name' xwinnmr ? 1368 110 NMR-STAR '_Software.Name' YASARA ? 1368 110 NMR-STAR stop_ save_ save__Software.Version _Item.Sf_category item_description _Item.Sf_framecode '_Software.Version' _Item.ID 1369 _Item.Name '_Software.Version' _Item.Description ; The code assigned to the version of the software. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Software.DOI _Item.Sf_category item_description _Item.Sf_framecode '_Software.DOI' _Item.ID 1370 _Item.Name '_Software.DOI' _Item.Description ; The DOI locator if available for the software application. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Software.Details _Item.Sf_category item_description _Item.Sf_framecode '_Software.Details' _Item.ID 1371 _Item.Name '_Software.Details' _Item.Description ; Text description of the software. ; _Item.Category_ID 110 _Item.Category_label $Software _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Vendor _Category.Sf_category category_description _Category.Sf_framecode Vendor _Category.ID 111 _Category.Name 'Vendor' _category.Description ; Items in the vendor category define from whom a software application can be obtained. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 17 _Category.Category_group_name software _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1372 $_Vendor.Name '_Vendor.Name' 1376 $_Vendor.Entry_ID '_Vendor.Entry_ID' 1377 $_Vendor.Software_ID '_Vendor.Software_ID' 111 NMR-STAR stop_ save_ save__Vendor.Name _Item.Sf_category item_description _Item.Sf_framecode '_Vendor.Name' _Item.ID 1372 _Item.Name '_Vendor.Name' _Item.Description ; Commercial or academic supplier of the software product. ; _Item.Category_ID 111 _Item.Category_label $Vendor _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Vendor.Name' '(ACME) - Delaglio, Zhengrong and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(AMBER) - Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' ? 1372 111 NMR-STAR '_Vendor.Name' '(ANSIG) - Kraulis' ? 1372 111 NMR-STAR '_Vendor.Name' '(Analysis) - CCPN' ? 1372 111 NMR-STAR '_Vendor.Name' '(AQUA) - Rullmann, Doreleijers and Kaptein' ? 1372 111 NMR-STAR '_Vendor.Name' "(ARIA) - Linge, O'Donoghue and Nilges" ? 1372 111 NMR-STAR '_Vendor.Name' '(AURELIA) - Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' ? 1372 111 NMR-STAR '_Vendor.Name' '(AUREMOL) - Bruker Biospin' ? 1372 111 NMR-STAR '_Vendor.Name' '(AutoAssign) - Zimmerman, Moseley, Kulikowski and Montelione' ? 1372 111 NMR-STAR '_Vendor.Name' '(AutoStruct) - Huang, Tejero, Powers and Montelione' ? 1372 111 NMR-STAR '_Vendor.Name' '(AVS) - Moseley and Montelione' ? 1372 111 NMR-STAR '_Vendor.Name' '(AZARA) - Boucher' ? 1372 111 NMR-STAR '_Vendor.Name' '(CANDID) - Herrmann, Guntert and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(CAPP) - Garrett' ? 1372 111 NMR-STAR '_Vendor.Name' '(CARA) - Keller and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(CcpNMR) - CCPN' ? 1372 111 NMR-STAR '_Vendor.Name' '(CNS) - Brunger, Adams, Clore, Gros, Nilges and Read' ? 1372 111 NMR-STAR '_Vendor.Name' '(CS-Rosetta) - Shen, Vernon, Baker and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(CYANA) - Guntert, Mumenthaler and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(DGII) - Accelrys Software Inc.' ? 1372 111 NMR-STAR '_Vendor.Name' '(DIANA) - Guntert, Braun and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(DISCOVER) - Accelrys Software Inc.' ? 1372 111 NMR-STAR '_Vendor.Name' '(DSPACE) - Hare' ? 1372 111 NMR-STAR '_Vendor.Name' '(DYANA) - Guntert, Braun and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(DYNAMO) - Delaglio and Kuszewski' ? 1372 111 NMR-STAR '_Vendor.Name' '(EMBOSS - Rice, Longden and Bleasby' ? 1372 111 NMR-STAR '_Vendor.Name' '(FANTOM) - Braun' ? 1372 111 NMR-STAR '_Vendor.Name' '(Felix) - Accelrys Software Inc.' ? 1372 111 NMR-STAR '_Vendor.Name' '(GARANT) - Bartels, Guntert, Billeter and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(Gaussian) - Gaussian, Inc.' ? 1372 111 NMR-STAR '_Vendor.Name' '(GIFA) - Delsuc' ? 1372 111 NMR-STAR '_Vendor.Name' '(GROMOS) - van Gunsteren and Berendsen' ? 1372 111 NMR-STAR '_Vendor.Name' '(HADDOCK) - Alexandre Bonvin' ? 1372 111 NMR-STAR '_Vendor.Name' '(HYPER) - Tejero, Monleon, Celda, Powers and Montelione' ? 1372 111 NMR-STAR '_Vendor.Name' '(InsightII) - Accelrys Software Inc.' ? 1372 111 NMR-STAR '_Vendor.Name' '(ModelFree) - Palmer' ? 1372 111 NMR-STAR '_Vendor.Name' '(Molmol) - Koradi, Billeter and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(MOLPROBITY) - Richardson' ? 1372 111 NMR-STAR '_Vendor.Name' '(MORASS) - Luxon' ? 1372 111 NMR-STAR '_Vendor.Name' '(NDEE) - Roesch and Herrmann' ? 1372 111 NMR-STAR '_Vendor.Name' '(NMRbox) - UConn Health Center' ? 1372 111 NMR-STAR '_Vendor.Name' '(NMRDraw) - Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(NMRPipe) - Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(NMRView) - Johnson, One Moon Scientific' ? 1372 111 NMR-STAR '_Vendor.Name' '(NUTS) - Acorn NMR Inc.' ? 1372 111 NMR-STAR '_Vendor.Name' '(OPAL) - Luginbuhl, Guntert, Billeter and Wuthrich' ? 1372 111 NMR-STAR '_Vendor.Name' '(PECAN) - Eghbalnia, Wang, Bahrami, Assadi, and Markley' ? 1372 111 NMR-STAR '_Vendor.Name' '(PINE) - Bahrami, Markley, Assadi, and Eghbalnia' ? 1372 111 NMR-STAR '_Vendor.Name' '(PIPP) - Garrett' ? 1372 111 NMR-STAR '_Vendor.Name' '(PISTACHIO) - Eghbalnia, Bahrami, Wang, Assadi and Markley' ? 1372 111 NMR-STAR '_Vendor.Name' '(Procheck) - Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' ? 1372 111 NMR-STAR '_Vendor.Name' '(ProcheckNMR) - Laskowski and MacArthur' ? 1372 111 NMR-STAR '_Vendor.Name' '(P-ROI) - Kohda' ? 1372 111 NMR-STAR '_Vendor.Name' '(PRONTO) - Kjur, Andersen and Poulsen' ? 1372 111 NMR-STAR '_Vendor.Name' '(PROSA) - Guntert' ? 1372 111 NMR-STAR '_Vendor.Name' '(PSVS) - Bhattacharya and Montelione' ? 1372 111 NMR-STAR '_Vendor.Name' '(QUEEN) - Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' ? 1372 111 NMR-STAR '_Vendor.Name' '(RESCUE) - Pons and Delsuc' ? 1372 111 NMR-STAR '_Vendor.Name' '(SANE) - Duggan, Legge, Dyson & Wright' ? 1372 111 NMR-STAR '_Vendor.Name' '(SPARKY) - Goddard' ? 1372 111 NMR-STAR '_Vendor.Name' '(SPARTA) - Shen and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(SPARTA+) - Shen and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(SPSCAN) - Glaser' ? 1372 111 NMR-STAR '_Vendor.Name' '(STAPP) - Garrett' ? 1372 111 NMR-STAR '_Vendor.Name' '(Surflex-Dock) - Tripos' ? 1372 111 NMR-STAR '_Vendor.Name' '(SYBYL) - Tripos' ? 1372 111 NMR-STAR '_Vendor.Name' '(TALOS) - Cornilescu, Delaglio and Bax' ? 1372 111 NMR-STAR '_Vendor.Name' '(TINKER) - Ponder' ? 1372 111 NMR-STAR '_Vendor.Name' '(TOPSPIN) - Bruker Biospin' ? 1372 111 NMR-STAR '_Vendor.Name' '(TRIAD) - Tripos' ? 1372 111 NMR-STAR '_Vendor.Name' '(TRIPOS) - Tripos' ? 1372 111 NMR-STAR '_Vendor.Name' '(UXNMR) - Bruker Biospin' ? 1372 111 NMR-STAR '_Vendor.Name' '(VNMR) - Varian' ? 1372 111 NMR-STAR '_Vendor.Name' '(WhatIF) - Vriend' ? 1372 111 NMR-STAR '_Vendor.Name' '(Wattos) - Doreleijers' ? 1372 111 NMR-STAR '_Vendor.Name' '(XEASY) - Bartels et al.' ? 1372 111 NMR-STAR '_Vendor.Name' '(X-PLOR) - Brunger' ? 1372 111 NMR-STAR '_Vendor.Name' '(X-PLOR NIH) - Schwieters, Kuszewski, Tjandra and Clore' ? 1372 111 NMR-STAR '_Vendor.Name' '(xwinnmr) - Bruker Biospin' ? 1372 111 NMR-STAR stop_ save_ save__Vendor.Address _Item.Sf_category item_description _Item.Sf_framecode '_Vendor.Address' _Item.ID 1373 _Item.Name '_Vendor.Address' _Item.Description ; Location for the person or company who supplies the software. ; _Item.Category_ID 111 _Item.Category_label $Vendor _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Vendor.Electronic_address _Item.Sf_category item_description _Item.Sf_framecode '_Vendor.Electronic_address' _Item.ID 1374 _Item.Name '_Vendor.Electronic_address' _Item.Description ; An internet address for the vendor of the software. ; _Item.Category_ID 111 _Item.Category_label $Vendor _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Vendor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Vendor.Sf_ID' _Item.ID 1375 _Item.Name '_Vendor.Sf_ID' _Item.Description ; Pointer to '_Software.Sf_ID' ; _Item.Category_ID 111 _Item.Category_label $Vendor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Vendor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Vendor.Entry_ID' _Item.ID 1376 _Item.Name '_Vendor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 111 _Item.Category_label $Vendor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Vendor.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Vendor.Software_ID' _Item.ID 1377 _Item.Name '_Vendor.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 111 _Item.Category_label $Vendor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Task _Category.Sf_category category_description _Category.Sf_framecode Task _Category.ID 112 _Category.Name 'Task' _category.Description ; Items in the task category describe the tasks the software performed. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 17 _Category.Category_group_name software _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1378 $_Task.Task '_Task.Task' 1381 $_Task.Entry_ID '_Task.Entry_ID' 1382 $_Task.Software_ID '_Task.Software_ID' 112 NMR-STAR stop_ save_ save__Task.Task _Item.Sf_category item_description _Item.Sf_framecode '_Task.Task' _Item.ID 1378 _Item.Name '_Task.Task' _Item.Description ; A word or brief phrase that describes the job that a software application was used to carry out. ; _Item.Category_ID 112 _Item.Category_label $Task _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Task.Task' collection ? 1378 112 NMR-STAR '_Task.Task' 'chemical shift assignment' ? 1378 112 NMR-STAR '_Task.Task' 'chemical shift calculation' ? 1378 112 NMR-STAR '_Task.Task' 'data analysis' ? 1378 112 NMR-STAR '_Task.Task' 'geometry optimization' ? 1378 112 NMR-STAR '_Task.Task' 'peak picking' ? 1378 112 NMR-STAR '_Task.Task' processing ? 1378 112 NMR-STAR '_Task.Task' refinement ? 1378 112 NMR-STAR '_Task.Task' 'structure solution' ? 1378 112 NMR-STAR stop_ save_ save__Task.Software_module _Item.Sf_category item_description _Item.Sf_framecode '_Task.Software_module' _Item.ID 1379 _Item.Name '_Task.Software_module' _Item.Description ; The name of a software module used to carry out a task in the workflow for generating the results reported in the entry. ; _Item.Category_ID 112 _Item.Category_label $Task _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Task.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Task.Sf_ID' _Item.ID 1380 _Item.Name '_Task.Sf_ID' _Item.Description ; Pointer to '_Software.Sf_ID' ; _Item.Category_ID 112 _Item.Category_label $Task _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Task.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Task.Entry_ID' _Item.ID 1381 _Item.Name '_Task.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 112 _Item.Category_label $Task _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Task.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Task.Software_ID' _Item.ID 1382 _Item.Name '_Task.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 112 _Item.Category_label $Task _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Software_citation _Category.Sf_category category_description _Category.Sf_framecode Software_citation _Category.ID 113 _Category.Name 'Software_citation' _category.Description ; Items in the software_citation category provide links to the citations category where literature references describing the software can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 17 _Category.Category_group_name software _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1383 $_Software_citation.Citation_ID '_Software_citation.Citation_ID' 1386 $_Software_citation.Entry_ID '_Software_citation.Entry_ID' 1387 $_Software_citation.Software_ID '_Software_citation.Software_ID' 113 NMR-STAR stop_ save_ save__Software_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_citation.Citation_ID' _Item.ID 1383 _Item.Name '_Software_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 113 _Item.Category_label $Software_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Software_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Software_citation.Citation_label' _Item.ID 1384 _Item.Name '_Software_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 113 _Item.Category_label $Software_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Software_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_citation.Sf_ID' _Item.ID 1385 _Item.Name '_Software_citation.Sf_ID' _Item.Description ; Pointer to '_Software.Sf_ID' ; _Item.Category_ID 113 _Item.Category_label $Software_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Software_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_citation.Entry_ID' _Item.ID 1386 _Item.Name '_Software_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 113 _Item.Category_label $Software_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_citation.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_citation.Software_ID' _Item.ID 1387 _Item.Name '_Software_citation.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 113 _Item.Category_label $Software_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Method _Category.Sf_category category_description _Category.Sf_framecode Method _Category.ID 114 _Category.Name 'Method' _category.Description ; Items in the method category provide meta data about the reported method. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 18 _Category.Category_group_name method _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1390 $_Method.Entry_ID '_Method.Entry_ID' 1392 $_Method.ID '_Method.ID' 114 NMR-STAR stop_ save_ save__Method.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Method.Sf_category' _Item.ID 1388 _Item.Name '_Method.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Method.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Method.Sf_framecode' _Item.ID 1389 _Item.Name '_Method.Sf_framecode' _Item.Description ; Descriptive label used to uniquely identify this method. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Method.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method.Entry_ID' _Item.ID 1390 _Item.Name '_Method.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Method.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method.Sf_ID' _Item.ID 1391 _Item.Name '_Method.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Method.ID _Item.Sf_category item_description _Item.Sf_framecode '_Method.ID' _Item.ID 1392 _Item.Name '_Method.ID' _Item.Description ; A value that uniquely identifies the method describe from other methods given in the entry. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Method.Name _Item.Sf_category item_description _Item.Sf_framecode '_Method.Name' _Item.ID 1393 _Item.Name '_Method.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Method.Derivation_type _Item.Sf_category item_description _Item.Sf_framecode '_Method.Derivation_type' _Item.ID 1394 _Item.Name '_Method.Derivation_type' _Item.Description ; The type of derivation used in the reported method. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Method.Details _Item.Sf_category item_description _Item.Sf_framecode '_Method.Details' _Item.ID 1395 _Item.Name '_Method.Details' _Item.Description ; Text description providing additional information about the reported method. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Method.Computer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method.Computer_ID' _Item.ID 1396 _Item.Name '_Method.Computer_ID' _Item.Description ; Pointer to '_Computer.ID' ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Method.Computer_label _Item.Sf_category item_description _Item.Sf_framecode '_Method.Computer_label' _Item.ID 1397 _Item.Name '_Method.Computer_label' _Item.Description ; Pointer to a save frame of the category computer. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Method.Computing_platform_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method.Computing_platform_ID' _Item.ID 1398 _Item.Name '_Method.Computing_platform_ID' _Item.Description ; Pointer to '_Computing_platform.ID' ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Method.Computing_platform_label _Item.Sf_category item_description _Item.Sf_framecode '_Method.Computing_platform_label' _Item.ID 1399 _Item.Name '_Method.Computing_platform_label' _Item.Description ; Pointer to a save frame of the category computing platform. ; _Item.Category_ID 114 _Item.Category_label $Method _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save_Method_file _Category.Sf_category category_description _Category.Sf_framecode Method_file _Category.ID 115 _Category.Name 'Method_file' _category.Description ; Items in the method_file category provide information regarding external files that contain the reported method. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 18 _Category.Category_group_name method _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1401 $_Method_file.Name '_Method_file.Name' 1405 $_Method_file.Entry_ID '_Method_file.Entry_ID' 1406 $_Method_file.Method_ID '_Method_file.Method_ID' 115 NMR-STAR stop_ save_ save__Method_file.ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.ID' _Item.ID 1400 _Item.Name '_Method_file.ID' _Item.Description ; Unique ID assigned to the file containing source code or other information for the described method. ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Method_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.Name' _Item.ID 1401 _Item.Name '_Method_file.Name' _Item.Description ; Name for the file containing the source code or protocol for the reported method. ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Method_file.Text_format _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.Text_format' _Item.ID 1402 _Item.Name '_Method_file.Text_format' _Item.Description ; The format used in the ASCII texted document that is the method and is the value to the tag _Method.Text. ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Method_file.Text _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.Text' _Item.ID 1403 _Item.Name '_Method_file.Text' _Item.Description ; The method provided as an ASCII text document that is included in the NMR-STAR file as a value to this tag. ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Method_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.Sf_ID' _Item.ID 1404 _Item.Name '_Method_file.Sf_ID' _Item.Description ; Pointer to '_Method.Sf_ID' ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Method_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.Entry_ID' _Item.ID 1405 _Item.Name '_Method_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Method_file.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_file.Method_ID' _Item.ID 1406 _Item.Name '_Method_file.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 115 _Item.Category_label $Method_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Method_param _Category.Sf_category category_description _Category.Sf_framecode Method_param _Category.ID 116 _Category.Name 'Method_param' _category.Description ; Items in the method_parameter category provide information regarding an external file that contains the parameters for the reported method. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 18 _Category.Category_group_name method _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1407 $_Method_param.File_name '_Method_param.File_name' 1411 $_Method_param.Entry_ID '_Method_param.Entry_ID' 1412 $_Method_param.Method_ID '_Method_param.Method_ID' 116 NMR-STAR stop_ save_ save__Method_param.File_name _Item.Sf_category item_description _Item.Sf_framecode '_Method_param.File_name' _Item.ID 1407 _Item.Name '_Method_param.File_name' _Item.Description ; Name of the file that contains parameters required to execute the method. ; _Item.Category_ID 116 _Item.Category_label $Method_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Method_param.Text_format _Item.Sf_category item_description _Item.Sf_framecode '_Method_param.Text_format' _Item.ID 1408 _Item.Name '_Method_param.Text_format' _Item.Description ; Format in which the method information is encoded. ; _Item.Category_ID 116 _Item.Category_label $Method_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Method_param.Text _Item.Sf_category item_description _Item.Sf_framecode '_Method_param.Text' _Item.ID 1409 _Item.Name '_Method_param.Text' _Item.Description ; Text for the reported method. ; _Item.Category_ID 116 _Item.Category_label $Method_param _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Method_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_param.Sf_ID' _Item.ID 1410 _Item.Name '_Method_param.Sf_ID' _Item.Description ; Pointer to '_Method.Sf_ID' ; _Item.Category_ID 116 _Item.Category_label $Method_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Method_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_param.Entry_ID' _Item.ID 1411 _Item.Name '_Method_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 116 _Item.Category_label $Method_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Method_param.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_param.Method_ID' _Item.ID 1412 _Item.Name '_Method_param.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 116 _Item.Category_label $Method_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Method_citation _Category.Sf_category category_description _Category.Sf_framecode Method_citation _Category.ID 117 _Category.Name 'Method_citation' _category.Description ; Items in the method_citation category provide pointers to the citations where the method is described. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 18 _Category.Category_group_name method _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1413 $_Method_citation.Citation_ID '_Method_citation.Citation_ID' 1416 $_Method_citation.Entry_ID '_Method_citation.Entry_ID' 1417 $_Method_citation.Method_ID '_Method_citation.Method_ID' 117 NMR-STAR stop_ save_ save__Method_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_citation.Citation_ID' _Item.ID 1413 _Item.Name '_Method_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 117 _Item.Category_label $Method_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Method_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Method_citation.Citation_label' _Item.ID 1414 _Item.Name '_Method_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 117 _Item.Category_label $Method_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Method_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_citation.Sf_ID' _Item.ID 1415 _Item.Name '_Method_citation.Sf_ID' _Item.Description ; Pointer to '_Method.Sf_ID' ; _Item.Category_ID 117 _Item.Category_label $Method_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Method_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_citation.Entry_ID' _Item.ID 1416 _Item.Name '_Method_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 117 _Item.Category_label $Method_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Method_citation.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Method_citation.Method_ID' _Item.ID 1417 _Item.Name '_Method_citation.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 117 _Item.Category_label $Method_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Mass_spec _Category.Sf_category category_description _Category.Sf_framecode Mass_spec _Category.ID 118 _Category.Name 'Mass_spec' _category.Description ; Items in the mass_spec category provide meta information about the mass spectrometer described. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 19 _Category.Category_group_name Mass_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1420 $_Mass_spec.Entry_ID '_Mass_spec.Entry_ID' 1422 $_Mass_spec.ID '_Mass_spec.ID' 118 NMR-STAR stop_ save_ save__Mass_spec.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Sf_category' _Item.ID 1418 _Item.Name '_Mass_spec.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Sf_framecode' _Item.ID 1419 _Item.Name '_Mass_spec.Sf_framecode' _Item.Description ; A label that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Mass_spec.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Entry_ID' _Item.ID 1420 _Item.Name '_Mass_spec.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Sf_ID' _Item.ID 1421 _Item.Name '_Mass_spec.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spec.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.ID' _Item.ID 1422 _Item.Name '_Mass_spec.ID' _Item.Description ; A value that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spec.Name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Name' _Item.ID 1423 _Item.Name '_Mass_spec.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spec.Type _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Type' _Item.ID 1424 _Item.Name '_Mass_spec.Type' _Item.Description ; The type of mass spectrometer used. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Mass_spec.Type' Q-TOF ? 1424 118 NMR-STAR '_Mass_spec.Type' 'ion TRAP' ? 1424 118 NMR-STAR '_Mass_spec.Type' FTMS ? 1424 118 NMR-STAR '_Mass_spec.Type' Quadrupole ? 1424 118 NMR-STAR stop_ save_ save__Mass_spec.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Manufacturer' _Item.ID 1425 _Item.Name '_Mass_spec.Manufacturer' _Item.Description ; Name of the company or other entity that built the Mass spectrometer. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Mass_spec.Manufacturer' 'Alpha Omega Technologies Inc.' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' Agilent ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Analytica of Branford' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Bear Instruments' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Bergmann Messgeraete Entwicklung' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Bruker Daltonics' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Ciphergen Biosystems' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Charles Evans & Associates' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Comstock Inc.' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' In-Situ ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' Micromass ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Hitachi Instruments' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'JEOL USA' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Kore Technology Ltd.' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Kratos Analytical' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' LECO ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'MKS Instruments' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'PE Biosystems' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Perkin Elmer' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Prolab Resources' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Sensar Larson Davis' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Shimadzu Scientific Instruments Inc.' ? 1425 118 NMR-STAR '_Mass_spec.Manufacturer' 'Thermo Scientific' ? 1425 118 NMR-STAR stop_ save_ save__Mass_spec.Model _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Model' _Item.ID 1426 _Item.Name '_Mass_spec.Model' _Item.Description ; The name or acronym used to describe the model of the spectrometer. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Mass_spec.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Serial_number' _Item.ID 1427 _Item.Name '_Mass_spec.Serial_number' _Item.Description ; Unique code assigned to a specific spectrometer by the manufacturer. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spec.Details _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec.Details' _Item.ID 1428 _Item.Name '_Mass_spec.Details' _Item.Description ; A text description of the Mass spectrometer. ; _Item.Category_ID 118 _Item.Category_label $Mass_spec _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Mass_spec_config _Category.Sf_category category_description _Category.Sf_framecode Mass_spec_config _Category.ID 119 _Category.Name 'Mass_spec_config' _category.Description ; Items in the mass_spec_config category define the configuration details for a mass spectrometer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 19 _Category.Category_group_name Mass_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1429 $_Mass_spec_config.ID '_Mass_spec_config.ID' 1434 $_Mass_spec_config.Entry_ID '_Mass_spec_config.Entry_ID' 1435 $_Mass_spec_config.Mass_spec_ID '_Mass_spec_config.Mass_spec_ID' 119 NMR-STAR stop_ save_ save__Mass_spec_config.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.ID' _Item.ID 1429 _Item.Name '_Mass_spec_config.ID' _Item.Description ; An integer value that uniquely identifies the component of the mass spectrometer. ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spec_config.Ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.Ordinal' _Item.ID 1430 _Item.Name '_Mass_spec_config.Ordinal' _Item.Description ; An integer value that uniquely identifies the position of the component in the mass spectrometer. ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_config.Component_type _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.Component_type' _Item.ID 1431 _Item.Name '_Mass_spec_config.Component_type' _Item.Description ; The type of component in the mass spectrometer ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Mass_spec_config.Component_type' source ? 1431 119 NMR-STAR '_Mass_spec_config.Component_type' analyzer ? 1431 119 NMR-STAR '_Mass_spec_config.Component_type' detector ? 1431 119 NMR-STAR stop_ save_ save__Mass_spec_config.Component_name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.Component_name' _Item.ID 1432 _Item.Name '_Mass_spec_config.Component_name' _Item.Description ; The name of the component in the mass spectrometer. ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spec_config.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.Sf_ID' _Item.ID 1433 _Item.Name '_Mass_spec_config.Sf_ID' _Item.Description ; Pointer to '_Mass_spec.Sf_ID' ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_config.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.Entry_ID' _Item.ID 1434 _Item.Name '_Mass_spec_config.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec_config.Mass_spec_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_config.Mass_spec_ID' _Item.ID 1435 _Item.Name '_Mass_spec_config.Mass_spec_ID' _Item.Description ; Pointer to '_Mass_spec.ID' ; _Item.Category_ID 119 _Item.Category_label $Mass_spec_config _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Mass_spec_component_param _Category.Sf_category category_description _Category.Sf_framecode Mass_spec_component_param _Category.ID 120 _Category.Name 'Mass_spec_component_param' _category.Description ; Items in the mass_spec_component_param category describe parameters associated with individual components of the mass spectrometer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 19 _Category.Category_group_name Mass_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1436 $_Mass_spec_component_param.Mass_spec_config_ID '_Mass_spec_component_param.Mass_spec_config_ID' 1437 $_Mass_spec_component_param.ID '_Mass_spec_component_param.ID' 1441 $_Mass_spec_component_param.Entry_ID '_Mass_spec_component_param.Entry_ID' 1442 $_Mass_spec_component_param.Mass_spec_ID '_Mass_spec_component_param.Mass_spec_ID' 120 NMR-STAR stop_ save_ save__Mass_spec_component_param.Mass_spec_config_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.Mass_spec_config_ID' _Item.ID 1436 _Item.Name '_Mass_spec_component_param.Mass_spec_config_ID' _Item.Description ; Pointer to '_Mass_spec_config.ID' ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_component_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.ID' _Item.ID 1437 _Item.Name '_Mass_spec_component_param.ID' _Item.Description ; An integer value that uniquely identifies the parameter in the list. ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_component_param.Name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.Name' _Item.ID 1438 _Item.Name '_Mass_spec_component_param.Name' _Item.Description ; The name for the parameter taken from an enumerated list or provided by a depositor. ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Mass_spec_component_param.Value _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.Value' _Item.ID 1439 _Item.Name '_Mass_spec_component_param.Value' _Item.Description ; The value for the parameter. This value may be numeric or a character string. ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Mass_spec_component_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.Sf_ID' _Item.ID 1440 _Item.Name '_Mass_spec_component_param.Sf_ID' _Item.Description ; Pointer to '_Mass_spec.Sf_ID' ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_component_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.Entry_ID' _Item.ID 1441 _Item.Name '_Mass_spec_component_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec_component_param.Mass_spec_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_component_param.Mass_spec_ID' _Item.ID 1442 _Item.Name '_Mass_spec_component_param.Mass_spec_ID' _Item.Description ; Pointer to '_Mass_spec.ID' ; _Item.Category_ID 120 _Item.Category_label $Mass_spec_component_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Mass_spec_software _Category.Sf_category category_description _Category.Sf_framecode Mass_spec_software _Category.ID 121 _Category.Name 'Mass_spec_software' _category.Description ; Items in the mass_spec_software pointer a software tool associated with the mass spectrometer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 19 _Category.Category_group_name Mass_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1443 $_Mass_spec_software.Software_ID '_Mass_spec_software.Software_ID' 1446 $_Mass_spec_software.Entry_ID '_Mass_spec_software.Entry_ID' 1447 $_Mass_spec_software.Mass_spec_ID '_Mass_spec_software.Mass_spec_ID' 121 NMR-STAR stop_ save_ save__Mass_spec_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_software.Software_ID' _Item.ID 1443 _Item.Name '_Mass_spec_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 121 _Item.Category_label $Mass_spec_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_software.Software_label' _Item.ID 1444 _Item.Name '_Mass_spec_software.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 121 _Item.Category_label $Mass_spec_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Mass_spec_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_software.Sf_ID' _Item.ID 1445 _Item.Name '_Mass_spec_software.Sf_ID' _Item.Description ; Pointer to '_Mass_spec.Sf_ID' ; _Item.Category_ID 121 _Item.Category_label $Mass_spec_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_software.Entry_ID' _Item.ID 1446 _Item.Name '_Mass_spec_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 121 _Item.Category_label $Mass_spec_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec_software.Mass_spec_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_software.Mass_spec_ID' _Item.ID 1447 _Item.Name '_Mass_spec_software.Mass_spec_ID' _Item.Description ; Pointer to '_Mass_spec.ID' ; _Item.Category_ID 121 _Item.Category_label $Mass_spec_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Mass_spec_citation _Category.Sf_category category_description _Category.Sf_framecode Mass_spec_citation _Category.ID 122 _Category.Name 'Mass_spec_citation' _category.Description ; Items in the mass_spec_citation category provide pointers to citations where the mass spectrometer is described. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 19 _Category.Category_group_name Mass_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1448 $_Mass_spec_citation.Citation_ID '_Mass_spec_citation.Citation_ID' 1451 $_Mass_spec_citation.Entry_ID '_Mass_spec_citation.Entry_ID' 1452 $_Mass_spec_citation.Mass_spec_ID '_Mass_spec_citation.Mass_spec_ID' 122 NMR-STAR stop_ save_ save__Mass_spec_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_citation.Citation_ID' _Item.ID 1448 _Item.Name '_Mass_spec_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 122 _Item.Category_label $Mass_spec_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_citation.Citation_label' _Item.ID 1449 _Item.Name '_Mass_spec_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 122 _Item.Category_label $Mass_spec_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Mass_spec_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_citation.Sf_ID' _Item.ID 1450 _Item.Name '_Mass_spec_citation.Sf_ID' _Item.Description ; Pointer to '_Mass_spec.Sf_ID' ; _Item.Category_ID 122 _Item.Category_label $Mass_spec_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spec_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_citation.Entry_ID' _Item.ID 1451 _Item.Name '_Mass_spec_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 122 _Item.Category_label $Mass_spec_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec_citation.Mass_spec_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_citation.Mass_spec_ID' _Item.ID 1452 _Item.Name '_Mass_spec_citation.Mass_spec_ID' _Item.Description ; Pointer to '_Mass_spec.ID' ; _Item.Category_ID 122 _Item.Category_label $Mass_spec_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Mass_spectrometer_list _Category.Sf_category category_description _Category.Sf_framecode Mass_spectrometer_list _Category.ID 123 _Category.Name 'Mass_spectrometer_list' _category.Description ; Items in the mass_spectrometer_list category provide meta information regarding the reported list of mass spectrometers. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 20 _Category.Category_group_name Mass_spectrometer_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1455 $_Mass_spectrometer_list.Entry_ID '_Mass_spectrometer_list.Entry_ID' 123 NMR-STAR stop_ save_ save__Mass_spectrometer_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_list.Sf_category' _Item.ID 1453 _Item.Name '_Mass_spectrometer_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 123 _Item.Category_label $Mass_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spectrometer_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_list.Sf_framecode' _Item.ID 1454 _Item.Name '_Mass_spectrometer_list.Sf_framecode' _Item.Description ; A label that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 123 _Item.Category_label $Mass_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Mass_spectrometer_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_list.Entry_ID' _Item.ID 1455 _Item.Name '_Mass_spectrometer_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 123 _Item.Category_label $Mass_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spectrometer_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_list.Sf_ID' _Item.ID 1456 _Item.Name '_Mass_spectrometer_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 123 _Item.Category_label $Mass_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spectrometer_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_list.ID' _Item.ID 1457 _Item.Name '_Mass_spectrometer_list.ID' _Item.Description ; A value that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 123 _Item.Category_label $Mass_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spectrometer_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_list.Name' _Item.ID 1458 _Item.Name '_Mass_spectrometer_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 123 _Item.Category_label $Mass_spectrometer_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Mass_spectrometer_view _Category.Sf_category category_description _Category.Sf_framecode Mass_spectrometer_view _Category.ID 124 _Category.Name 'Mass_spectrometer_view' _category.Description ; Items in the mass_spectrometer_view category provide the characteristics of mass spectrometers used to collect data reported in an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 20 _Category.Category_group_name Mass_spectrometer_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1459 $_Mass_spectrometer_view.ID '_Mass_spectrometer_view.ID' 1472 $_Mass_spectrometer_view.Entry_ID '_Mass_spectrometer_view.Entry_ID' 1473 $_Mass_spectrometer_view.Mass_spectrometer_list_ID '_Mass_spectrometer_view.Mass_spectrometer_list_ID' 124 NMR-STAR stop_ save_ save__Mass_spectrometer_view.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.ID' _Item.ID 1459 _Item.Name '_Mass_spectrometer_view.ID' _Item.Description ; Unique local identifier assigned to an NMR spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spectrometer_view.Name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Name' _Item.ID 1460 _Item.Name '_Mass_spectrometer_view.Name' _Item.Description ; Common name used for an NMR spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spectrometer_view.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Manufacturer' _Item.ID 1461 _Item.Name '_Mass_spectrometer_view.Manufacturer' _Item.Description ; Name of the company or other entity that built the Mass spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Mass_spectrometer_view.Manufacturer' 'Alpha Omega Technologies Inc.' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' Agilent ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Analytica of Branford' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Bear Instruments' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Bergmann Messgeraete Entwicklung' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Bruker Daltonics' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Ciphergen Biosystems' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Charles Evans & Associates' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Comstock Inc.' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' In-Situ ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' Micromass ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Hitachi Instruments' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'JEOL USA' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Kore Technology Ltd.' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Kratos Analytical' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' LECO ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'MKS Instruments' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'PE Biosystems' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Perkin Elmer' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Prolab Resources' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Sensar Larson Davis' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Shimadzu Scientific Instruments Inc.' ? 1461 124 NMR-STAR '_Mass_spectrometer_view.Manufacturer' 'Thermo Scientific' ? 1461 124 NMR-STAR stop_ save_ save__Mass_spectrometer_view.Model _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Model' _Item.ID 1462 _Item.Name '_Mass_spectrometer_view.Model' _Item.Description ; The name or acronym used to describe the model of the spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Mass_spectrometer_view.Type _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Type' _Item.ID 1463 _Item.Name '_Mass_spectrometer_view.Type' _Item.Description ; Approximate strength of the magnetic field for the spectrometer as defined by the proton frequency of the instrument expressed in MHz. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Mass_spectrometer_view.Type' Q-TOF ? 1463 124 NMR-STAR '_Mass_spectrometer_view.Type' 'ion TRAP' ? 1463 124 NMR-STAR '_Mass_spectrometer_view.Type' FTMS ? 1463 124 NMR-STAR '_Mass_spectrometer_view.Type' Quadrupole ? 1463 124 NMR-STAR stop_ save_ save__Mass_spectrometer_view.Fragmentation_method _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Fragmentation_method' _Item.ID 1464 _Item.Name '_Mass_spectrometer_view.Fragmentation_method' _Item.Description ; The kind of fragmentation method used by the defined mass spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Mass_spectrometer_view.Fragmentation_method' CID ? 1464 124 NMR-STAR '_Mass_spectrometer_view.Fragmentation_method' ETD 'electron-transfer dissociation' 1464 124 NMR-STAR '_Mass_spectrometer_view.Fragmentation_method' IRMPD ? 1464 124 NMR-STAR stop_ save_ save__Mass_spectrometer_view.Ionization_method _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Ionization_method' _Item.ID 1465 _Item.Name '_Mass_spectrometer_view.Ionization_method' _Item.Description ; The kind of ionization method used by the defined mass spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spectrometer_view.Spectrum_type _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Spectrum_type' _Item.ID 1466 _Item.Name '_Mass_spectrometer_view.Spectrum_type' _Item.Description ; The type of spectrum produced by the mass spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spectrometer_view.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Serial_number' _Item.ID 1467 _Item.Name '_Mass_spectrometer_view.Serial_number' _Item.Description ; Unique code assigned to a specific spectrometer by the manufacturer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spectrometer_view.Details _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Details' _Item.ID 1468 _Item.Name '_Mass_spectrometer_view.Details' _Item.Description ; A text description of the Mass spectrometer. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Mass_spectrometer_view.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Citation_ID' _Item.ID 1469 _Item.Name '_Mass_spectrometer_view.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Mass_spectrometer_view.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Citation_label' _Item.ID 1470 _Item.Name '_Mass_spectrometer_view.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Mass_spectrometer_view.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Sf_ID' _Item.ID 1471 _Item.Name '_Mass_spectrometer_view.Sf_ID' _Item.Description ; Pointer to '_Mass_spectrometer_list.Sf_ID' ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Mass_spectrometer_view.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Entry_ID' _Item.ID 1472 _Item.Name '_Mass_spectrometer_view.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spectrometer_view.Mass_spectrometer_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spectrometer_view.Mass_spectrometer_list_ID' _Item.ID 1473 _Item.Name '_Mass_spectrometer_view.Mass_spectrometer_list_ID' _Item.Description ; Pointer to '_Mass_spectrometer_list.ID' ; _Item.Category_ID 124 _Item.Category_label $Mass_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Mass_spec_ref_compd_set _Category.Sf_category category_description _Category.Sf_framecode Mass_spec_ref_compd_set _Category.ID 125 _Category.Name 'Mass_spec_ref_compd_set' _category.Description ; Items in the mass_spec_ref_compd_set category provide meta data regarding a set of reference compounds used in carrying out mass spectrometry experiments. ; _Category.Loop_code no _Category.Category_group_ID 21 _Category.Category_group_name Mass_spec_ref_compd _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1476 $_Mass_spec_ref_compd_set.Entry_ID '_Mass_spec_ref_compd_set.Entry_ID' 1478 $_Mass_spec_ref_compd_set.ID '_Mass_spec_ref_compd_set.ID' 125 NMR-STAR stop_ save_ save__Mass_spec_ref_compd_set.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.Sf_category' _Item.ID 1474 _Item.Name '_Mass_spec_ref_compd_set.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Mass_spec_ref_compd_set.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.Sf_framecode' _Item.ID 1475 _Item.Name '_Mass_spec_ref_compd_set.Sf_framecode' _Item.Description ; A label that uniquely identifies the mass reference compound. ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Mass_spec_ref_compd_set.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.Entry_ID' _Item.ID 1476 _Item.Name '_Mass_spec_ref_compd_set.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec_ref_compd_set.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.Sf_ID' _Item.ID 1477 _Item.Name '_Mass_spec_ref_compd_set.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code no _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spec_ref_compd_set.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.ID' _Item.ID 1478 _Item.Name '_Mass_spec_ref_compd_set.ID' _Item.Description ; A value that uniquely identifies the mass reference compound from other mass reference compounds listed in the entry. ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spec_ref_compd_set.Name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.Name' _Item.ID 1479 _Item.Name '_Mass_spec_ref_compd_set.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Mass_spec_ref_compd_set.Details _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd_set.Details' _Item.ID 1480 _Item.Name '_Mass_spec_ref_compd_set.Details' _Item.Description ; A text description of the mass reference compound. ; _Item.Category_ID 125 _Item.Category_label $Mass_spec_ref_compd_set _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Mass_spec_ref_compd _Category.Sf_category category_description _Category.Sf_framecode Mass_spec_ref_compd _Category.ID 126 _Category.Name 'Mass_spec_ref_compd' _category.Description ; Items in the mass_spec_ref_compd category records information about the compounds used as references in a mass spectrometry experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 21 _Category.Category_group_name Mass_spec_ref_compd _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1481 $_Mass_spec_ref_compd.ID '_Mass_spec_ref_compd.ID' 1485 $_Mass_spec_ref_compd.Entry_ID '_Mass_spec_ref_compd.Entry_ID' 1486 $_Mass_spec_ref_compd.Mass_spec_ref_compd_set_ID '_Mass_spec_ref_compd.Mass_spec_ref_compd_set_ID' 126 NMR-STAR stop_ save_ save__Mass_spec_ref_compd.ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd.ID' _Item.ID 1481 _Item.Name '_Mass_spec_ref_compd.ID' _Item.Description ; Unique local identifier assigned to the mass reference compound. ; _Item.Category_ID 126 _Item.Category_label $Mass_spec_ref_compd _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Mass_spec_ref_compd.Name _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd.Name' _Item.ID 1482 _Item.Name '_Mass_spec_ref_compd.Name' _Item.Description ; Name for the mass reference compound. ; _Item.Category_ID 126 _Item.Category_label $Mass_spec_ref_compd _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Mass_spec_ref_compd.Mono_isotopic_mass _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd.Mono_isotopic_mass' _Item.ID 1483 _Item.Name '_Mass_spec_ref_compd.Mono_isotopic_mass' _Item.Description ; Mass of the compound calculated using the mass of the most abundant isotope for each atom in the compound. ; _Item.Category_ID 126 _Item.Category_label $Mass_spec_ref_compd _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Mass_spec_ref_compd.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd.Sf_ID' _Item.ID 1484 _Item.Name '_Mass_spec_ref_compd.Sf_ID' _Item.Description ; Pointer to '_Mass_spec_ref_compd_set.Sf_ID' ; _Item.Category_ID 126 _Item.Category_label $Mass_spec_ref_compd _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Mass_spec_ref_compd.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd.Entry_ID' _Item.ID 1485 _Item.Name '_Mass_spec_ref_compd.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 126 _Item.Category_label $Mass_spec_ref_compd _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Mass_spec_ref_compd.Mass_spec_ref_compd_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Mass_spec_ref_compd.Mass_spec_ref_compd_set_ID' _Item.ID 1486 _Item.Name '_Mass_spec_ref_compd.Mass_spec_ref_compd_set_ID' _Item.Description ; Pointer to '_Mass_spec_ref_compd_set.ID' ; _Item.Category_ID 126 _Item.Category_label $Mass_spec_ref_compd _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chromatographic_system _Category.Sf_category category_description _Category.Sf_framecode Chromatographic_system _Category.ID 127 _Category.Name 'Chromatographic_system' _category.Description ; Items in the chromatographic_system category record the information describing a chromatographic system used in separating chemical compounds. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 22 _Category.Category_group_name chromatographic_system _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1489 $_Chromatographic_system.Entry_ID '_Chromatographic_system.Entry_ID' 1491 $_Chromatographic_system.ID '_Chromatographic_system.ID' 127 NMR-STAR stop_ save_ save__Chromatographic_system.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Sf_category' _Item.ID 1487 _Item.Name '_Chromatographic_system.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chromatographic_system.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Sf_framecode' _Item.ID 1488 _Item.Name '_Chromatographic_system.Sf_framecode' _Item.Description ; A label that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chromatographic_system.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Entry_ID' _Item.ID 1489 _Item.Name '_Chromatographic_system.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chromatographic_system.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Sf_ID' _Item.ID 1490 _Item.Name '_Chromatographic_system.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chromatographic_system.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.ID' _Item.ID 1491 _Item.Name '_Chromatographic_system.ID' _Item.Description ; A value that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chromatographic_system.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Name' _Item.ID 1492 _Item.Name '_Chromatographic_system.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Type' _Item.ID 1493 _Item.Name '_Chromatographic_system.Type' _Item.Description ; The type of chromatographic system attached to the mass spectrometer used to separate a chemical mixture. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Pump_manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Pump_manufacturer' _Item.ID 1494 _Item.Name '_Chromatographic_system.Pump_manufacturer' _Item.Description ; Name of the company or other entity that built the Mass spectrometer. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chromatographic_system.Pump_model _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Pump_model' _Item.ID 1495 _Item.Name '_Chromatographic_system.Pump_model' _Item.Description ; The name or acronym used to describe the model of the spectrometer. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Chromatographic_system.Pump_serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Pump_serial_number' _Item.ID 1496 _Item.Name '_Chromatographic_system.Pump_serial_number' _Item.Description ; Unique code assigned to a specific spectrometer by the manufacturer. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Autosampler_manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Autosampler_manufacturer' _Item.ID 1497 _Item.Name '_Chromatographic_system.Autosampler_manufacturer' _Item.Description ; Name of the manufacturer of the autosampler. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Autosampler_model _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Autosampler_model' _Item.ID 1498 _Item.Name '_Chromatographic_system.Autosampler_model' _Item.Description ; Model of the listed autosampler. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Autosampler_serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Autosampler_serial_number' _Item.ID 1499 _Item.Name '_Chromatographic_system.Autosampler_serial_number' _Item.Description ; Serial number of the listed autosampler. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Col_compartment_manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Col_compartment_manufacturer' _Item.ID 1500 _Item.Name '_Chromatographic_system.Col_compartment_manufacturer' _Item.Description ; Name of the manufacturer of the column compartment. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Col_compartment_model _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Col_compartment_model' _Item.ID 1501 _Item.Name '_Chromatographic_system.Col_compartment_model' _Item.Description ; Model of the listed column compartment. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Col_compartment_serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Col_compartment_serial_number' _Item.ID 1502 _Item.Name '_Chromatographic_system.Col_compartment_serial_number' _Item.Description ; Serial number of the listed column compartment. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_system.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_system.Details' _Item.ID 1503 _Item.Name '_Chromatographic_system.Details' _Item.Description ; Text describing the chromatographic system. ; _Item.Category_ID 127 _Item.Category_label $Chromatographic_system _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Chromatographic_column _Category.Sf_category category_description _Category.Sf_framecode Chromatographic_column _Category.ID 128 _Category.Name 'Chromatographic_column' _category.Description ; Items in the chromatographic_column category record the characteristics of a column used in a chromatographic system for separating chemical compounds. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 23 _Category.Category_group_name chromatographic_column _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1506 $_Chromatographic_column.Entry_ID '_Chromatographic_column.Entry_ID' 1508 $_Chromatographic_column.ID '_Chromatographic_column.ID' 128 NMR-STAR stop_ save_ save__Chromatographic_column.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Sf_category' _Item.ID 1504 _Item.Name '_Chromatographic_column.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chromatographic_column.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Sf_framecode' _Item.ID 1505 _Item.Name '_Chromatographic_column.Sf_framecode' _Item.Description ; A label that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chromatographic_column.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Entry_ID' _Item.ID 1506 _Item.Name '_Chromatographic_column.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chromatographic_column.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Sf_ID' _Item.ID 1507 _Item.Name '_Chromatographic_column.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chromatographic_column.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.ID' _Item.ID 1508 _Item.Name '_Chromatographic_column.ID' _Item.Description ; A value that uniquely identifies the Mass spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chromatographic_column.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Name' _Item.ID 1509 _Item.Name '_Chromatographic_column.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_column.Vendor _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Vendor' _Item.ID 1510 _Item.Name '_Chromatographic_column.Vendor' _Item.Description ; Vendor from whom the chromatographic column was purchased. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_column.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Type' _Item.ID 1511 _Item.Name '_Chromatographic_column.Type' _Item.Description ; The type of chromatographic column listed. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_column.Packing_material _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Packing_material' _Item.ID 1512 _Item.Name '_Chromatographic_column.Packing_material' _Item.Description ; The kind of packing material used in the chromatographic column. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chromatographic_column.Packing_material_pore_size _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Packing_material_pore_size' _Item.ID 1513 _Item.Name '_Chromatographic_column.Packing_material_pore_size' _Item.Description ; The pore size of the packing material used in the chromatographic column. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chromatographic_column.Width _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Width' _Item.ID 1514 _Item.Name '_Chromatographic_column.Width' _Item.Description ; The width of the chromatographic column listed. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chromatographic_column.Length _Item.Sf_category item_description _Item.Sf_framecode '_Chromatographic_column.Length' _Item.ID 1515 _Item.Name '_Chromatographic_column.Length' _Item.Description ; The length of the chromatographic column listed. ; _Item.Category_ID 128 _Item.Category_label $Chromatographic_column _Item.Mandatory_code no _Item.Type_code 'float' save_ save_Fluorescence_instrument _Category.Sf_category category_description _Category.Sf_framecode Fluorescence_instrument _Category.ID 129 _Category.Name 'Fluorescence_instrument' _category.Description ; Items in the fluorescence_instrument category provide meta information about the fluorescence instrument described. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 24 _Category.Category_group_name fluorescence_instrument _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1518 $_Fluorescence_instrument.Entry_ID '_Fluorescence_instrument.Entry_ID' 1520 $_Fluorescence_instrument.ID '_Fluorescence_instrument.ID' 129 NMR-STAR stop_ save_ save__Fluorescence_instrument.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Sf_category' _Item.ID 1516 _Item.Name '_Fluorescence_instrument.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Fluorescence_instrument.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Sf_framecode' _Item.ID 1517 _Item.Name '_Fluorescence_instrument.Sf_framecode' _Item.Description ; A label that uniquely identifies the fluorescence instrument from other Fluorescence instruments listed in the entry. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Fluorescence_instrument.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Entry_ID' _Item.ID 1518 _Item.Name '_Fluorescence_instrument.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Fluorescence_instrument.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Sf_ID' _Item.ID 1519 _Item.Name '_Fluorescence_instrument.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Fluorescence_instrument.ID _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.ID' _Item.ID 1520 _Item.Name '_Fluorescence_instrument.ID' _Item.Description ; A value that uniquely identifies the Fluorescence instrument from other Fluorescence instruments listed in the entry. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Fluorescence_instrument.Name _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Name' _Item.ID 1521 _Item.Name '_Fluorescence_instrument.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Fluorescence_instrument.Details _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Details' _Item.ID 1522 _Item.Name '_Fluorescence_instrument.Details' _Item.Description ; A text description of the Fluorescence instrument. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Fluorescence_instrument.Type _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Type' _Item.ID 1523 _Item.Name '_Fluorescence_instrument.Type' _Item.Description ; The type of Fluorescence instrument used. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Fluorescence_instrument.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Manufacturer' _Item.ID 1524 _Item.Name '_Fluorescence_instrument.Manufacturer' _Item.Description ; Name of the company or other entity that built the Fluorescence instrument. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Fluorescence_instrument.Model _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Model' _Item.ID 1525 _Item.Name '_Fluorescence_instrument.Model' _Item.Description ; The name or acronym used to describe the model of the Fluorescence instrument. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Fluorescence_instrument.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Fluorescence_instrument.Serial_number' _Item.ID 1526 _Item.Name '_Fluorescence_instrument.Serial_number' _Item.Description ; Unique code assigned to a specific Fluorescence instrument by the manufacturer. ; _Item.Category_ID 129 _Item.Category_label $Fluorescence_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save_EMR_instrument _Category.Sf_category category_description _Category.Sf_framecode EMR_instrument _Category.ID 130 _Category.Name 'EMR_instrument' _category.Description ; Items in the EMR_instrument category provide meta information about the EMR instrument described. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 25 _Category.Category_group_name EMR_instrument _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1529 $_EMR_instrument.Entry_ID '_EMR_instrument.Entry_ID' 1531 $_EMR_instrument.ID '_EMR_instrument.ID' 130 NMR-STAR stop_ save_ save__EMR_instrument.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Sf_category' _Item.ID 1527 _Item.Name '_EMR_instrument.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__EMR_instrument.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Sf_framecode' _Item.ID 1528 _Item.Name '_EMR_instrument.Sf_framecode' _Item.Description ; A label that uniquely identifies the EMR instrument from other EMR instruments listed in the entry. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__EMR_instrument.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Entry_ID' _Item.ID 1529 _Item.Name '_EMR_instrument.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__EMR_instrument.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Sf_ID' _Item.ID 1530 _Item.Name '_EMR_instrument.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__EMR_instrument.ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.ID' _Item.ID 1531 _Item.Name '_EMR_instrument.ID' _Item.Description ; A value that uniquely identifies the EMR instrument from other EMR instruments listed in the entry. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__EMR_instrument.Name _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Name' _Item.ID 1532 _Item.Name '_EMR_instrument.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__EMR_instrument.Details _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Details' _Item.ID 1533 _Item.Name '_EMR_instrument.Details' _Item.Description ; A text description of the EMR instrument. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code no _Item.Type_code 'text' save_ save__EMR_instrument.Type _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Type' _Item.ID 1534 _Item.Name '_EMR_instrument.Type' _Item.Description ; The type of EMR instrument used. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__EMR_instrument.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Manufacturer' _Item.ID 1535 _Item.Name '_EMR_instrument.Manufacturer' _Item.Description ; Name of the company or other entity that built the EMR instrument. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__EMR_instrument.Model _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Model' _Item.ID 1536 _Item.Name '_EMR_instrument.Model' _Item.Description ; The name or acronym used to describe the model of the EMR instrument. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__EMR_instrument.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_EMR_instrument.Serial_number' _Item.ID 1537 _Item.Name '_EMR_instrument.Serial_number' _Item.Description ; Unique code assigned to a specific EMR instrument by the manufacturer. ; _Item.Category_ID 130 _Item.Category_label $EMR_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Xray_instrument _Category.Sf_category category_description _Category.Sf_framecode Xray_instrument _Category.ID 131 _Category.Name 'Xray_instrument' _category.Description ; Items in the Xray_instrument category provide meta information about the X-ray instrument described. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 26 _Category.Category_group_name Xray_instrument _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1540 $_Xray_instrument.Entry_ID '_Xray_instrument.Entry_ID' 1542 $_Xray_instrument.ID '_Xray_instrument.ID' 131 NMR-STAR stop_ save_ save__Xray_instrument.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Sf_category' _Item.ID 1538 _Item.Name '_Xray_instrument.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Xray_instrument.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Sf_framecode' _Item.ID 1539 _Item.Name '_Xray_instrument.Sf_framecode' _Item.Description ; A label that uniquely identifies the X-ray instrument from other X-ray instruments listed in the entry. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Xray_instrument.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Entry_ID' _Item.ID 1540 _Item.Name '_Xray_instrument.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Xray_instrument.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Sf_ID' _Item.ID 1541 _Item.Name '_Xray_instrument.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Xray_instrument.ID _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.ID' _Item.ID 1542 _Item.Name '_Xray_instrument.ID' _Item.Description ; A value that uniquely identifies the X-ray instrument from other X-ray instruments listed in the entry. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Xray_instrument.Name _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Name' _Item.ID 1543 _Item.Name '_Xray_instrument.Name' _Item.Description ; The name for the X-ray instrument used to collect the reported data. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Xray_instrument.Details _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Details' _Item.ID 1544 _Item.Name '_Xray_instrument.Details' _Item.Description ; A text description of the X-ray instrument. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Xray_instrument.Location _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Location' _Item.ID 1545 _Item.Name '_Xray_instrument.Location' _Item.Description ; The location of the X-ray instrument (national facility or other location). ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Xray_instrument.Type _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Type' _Item.ID 1546 _Item.Name '_Xray_instrument.Type' _Item.Description ; The type of X-ray instrument uses. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Xray_instrument.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Manufacturer' _Item.ID 1547 _Item.Name '_Xray_instrument.Manufacturer' _Item.Description ; Name of the company or other entity that built the X-ray instrument. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Xray_instrument.Model _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Model' _Item.ID 1548 _Item.Name '_Xray_instrument.Model' _Item.Description ; The name or acronym used to describe the model of the X-ray instrument. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Xray_instrument.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Serial_number' _Item.ID 1549 _Item.Name '_Xray_instrument.Serial_number' _Item.Description ; Unique code assigned to a specific X-ray instrument by the manufacturer. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Xray_instrument.Detector_type _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Detector_type' _Item.ID 1550 _Item.Name '_Xray_instrument.Detector_type' _Item.Description ; The type of detector used. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Xray_instrument.Source _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Source' _Item.ID 1551 _Item.Name '_Xray_instrument.Source' _Item.Description ; The source used to generate the X-rays. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Xray_instrument.Wavelength _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.Wavelength' _Item.ID 1552 _Item.Name '_Xray_instrument.Wavelength' _Item.Description ; The wavelength used. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Xray_instrument.SAXS_detector_sample_distance _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.SAXS_detector_sample_distance' _Item.ID 1553 _Item.Name '_Xray_instrument.SAXS_detector_sample_distance' _Item.Description ; The distance from the detector to the sample used for SAXS experiments. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Xray_instrument.WAXS_detector_sample_distance _Item.Sf_category item_description _Item.Sf_framecode '_Xray_instrument.WAXS_detector_sample_distance' _Item.ID 1554 _Item.Name '_Xray_instrument.WAXS_detector_sample_distance' _Item.Description ; The distance from the detector to the sample used for WAXS experiments. ; _Item.Category_ID 131 _Item.Category_label $Xray_instrument _Item.Mandatory_code no _Item.Type_code 'float' save_ save_NMR_spectrometer _Category.Sf_category category_description _Category.Sf_framecode NMR_spectrometer _Category.ID 132 _Category.Name 'NMR_spectrometer' _category.Description ; Items in the NMR_spectrometer category describe an NMR spectrometer used to collect experimental data. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 27 _Category.Category_group_name NMR_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1557 $_NMR_spectrometer.Entry_ID '_NMR_spectrometer.Entry_ID' 1559 $_NMR_spectrometer.ID '_NMR_spectrometer.ID' 132 NMR-STAR stop_ save_ save__NMR_spectrometer.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Sf_category' _Item.ID 1555 _Item.Name '_NMR_spectrometer.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Sf_framecode' _Item.ID 1556 _Item.Name '_NMR_spectrometer.Sf_framecode' _Item.Description ; A label that uniquely identifies the NMR spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectrometer.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Entry_ID' _Item.ID 1557 _Item.Name '_NMR_spectrometer.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Sf_ID' _Item.ID 1558 _Item.Name '_NMR_spectrometer.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectrometer.ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.ID' _Item.ID 1559 _Item.Name '_NMR_spectrometer.ID' _Item.Description ; A value that uniquely identifies the NMR spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectrometer.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Name' _Item.ID 1560 _Item.Name '_NMR_spectrometer.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_spectrometer.Details _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Details' _Item.ID 1561 _Item.Name '_NMR_spectrometer.Details' _Item.Description ; A text description of the NMR spectrometer. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code no _Item.Type_code 'text' save_ save__NMR_spectrometer.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Manufacturer' _Item.ID 1562 _Item.Name '_NMR_spectrometer.Manufacturer' _Item.Description ; Name of the company or other entity that built the NMR spectrometer. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer.Manufacturer' Bruker ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' GE ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' JEOL ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' Varian ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' Agilent ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' Cambridge ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' Oxford ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' FBML ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' Nicolet ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' Home-built ? 1562 132 NMR-STAR '_NMR_spectrometer.Manufacturer' na ? 1562 132 NMR-STAR stop_ save_ save__NMR_spectrometer.Model _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Model' _Item.ID 1563 _Item.Name '_NMR_spectrometer.Model' _Item.Description ; The name or acronym used to describe the model of the spectrometer. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer.Model' AM "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' AMX "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' ARX "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' Avance "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' 'AVANCE III' "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' 'AVANCE NEO' "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' CMX 'from Bruker' 1563 132 NMR-STAR '_NMR_spectrometer.Model' DMX "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' DPX "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' DRX "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' MSL "from Bruker" 1563 132 NMR-STAR '_NMR_spectrometer.Model' ECA "from JEOL" 1563 132 NMR-STAR '_NMR_spectrometer.Model' ECP "from JEOL" 1563 132 NMR-STAR '_NMR_spectrometer.Model' 'Uniform NMR System' "from Varian" 1563 132 NMR-STAR '_NMR_spectrometer.Model' INOVA "from Varian" 1563 132 NMR-STAR '_NMR_spectrometer.Model' Unity "from Varian" 1563 132 NMR-STAR '_NMR_spectrometer.Model' UnityPlus "from Varian" 1563 132 NMR-STAR '_NMR_spectrometer.Model' VXRS "from Varian" 1563 132 NMR-STAR '_NMR_spectrometer.Model' Gemini "from General Electric" 1563 132 NMR-STAR '_NMR_spectrometer.Model' GSX "from General Electric" 1563 132 NMR-STAR '_NMR_spectrometer.Model' GX "from General Electric" 1563 132 NMR-STAR '_NMR_spectrometer.Model' OMEGA "from General Electric" 1563 132 NMR-STAR '_NMR_spectrometer.Model' 'OMEGA PSG' "from General Electric" 1563 132 NMR-STAR stop_ save_ save__NMR_spectrometer.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Serial_number' _Item.ID 1564 _Item.Name '_NMR_spectrometer.Serial_number' _Item.Description ; Unique code assigned to a specific spectrometer by the manufacturer. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_spectrometer.Field_strength _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer.Field_strength' _Item.ID 1565 _Item.Name '_NMR_spectrometer.Field_strength' _Item.Description ; Approximate strength of the magnetic field for the spectrometer as defined by the proton frequency of the instrument expressed in MHz. ; _Item.Category_ID 132 _Item.Category_label $NMR_spectrometer _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer.Field_strength' 400 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 500 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 600 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 700 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 750 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 800 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 850 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 900 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 920 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 950 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 1000 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 1100 ? 1565 132 NMR-STAR '_NMR_spectrometer.Field_strength' 1200 ? 1565 132 NMR-STAR stop_ save_ save_NMR_spectrometer_citation _Category.Sf_category category_description _Category.Sf_framecode NMR_spectrometer_citation _Category.ID 133 _Category.Name 'NMR_spectrometer_citation' _category.Description ; Items in the NMR_spectrometer_citation category provide links to the citations category where literature references describing an NMR spectrometer can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 27 _Category.Category_group_name NMR_spectrometer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1566 $_NMR_spectrometer_citation.Citation_ID '_NMR_spectrometer_citation.Citation_ID' 1569 $_NMR_spectrometer_citation.Entry_ID '_NMR_spectrometer_citation.Entry_ID' 1570 $_NMR_spectrometer_citation.NMR_spectrometer_ID '_NMR_spectrometer_citation.NMR_spectrometer_ID' 133 NMR-STAR stop_ save_ save__NMR_spectrometer_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_citation.Citation_ID' _Item.ID 1566 _Item.Name '_NMR_spectrometer_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 133 _Item.Category_label $NMR_spectrometer_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectrometer_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_citation.Citation_label' _Item.ID 1567 _Item.Name '_NMR_spectrometer_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 133 _Item.Category_label $NMR_spectrometer_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectrometer_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_citation.Sf_ID' _Item.ID 1568 _Item.Name '_NMR_spectrometer_citation.Sf_ID' _Item.Description ; Pointer to '_NMR_spectrometer.Sf_ID' ; _Item.Category_ID 133 _Item.Category_label $NMR_spectrometer_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectrometer_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_citation.Entry_ID' _Item.ID 1569 _Item.Name '_NMR_spectrometer_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 133 _Item.Category_label $NMR_spectrometer_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_citation.NMR_spectrometer_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_citation.NMR_spectrometer_ID' _Item.ID 1570 _Item.Name '_NMR_spectrometer_citation.NMR_spectrometer_ID' _Item.Description ; Pointer to '_NMR_spectrometer.ID' ; _Item.Category_ID 133 _Item.Category_label $NMR_spectrometer_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_spectrometer_list _Category.Sf_category category_description _Category.Sf_framecode NMR_spectrometer_list _Category.ID 134 _Category.Name 'NMR_spectrometer_list' _category.Description ; Items in the NMR_spectrometer_list category define a set of NMR spectrometers and their descriptions. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 28 _Category.Category_group_name NMR_spectrometer_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1573 $_NMR_spectrometer_list.Entry_ID '_NMR_spectrometer_list.Entry_ID' 1575 $_NMR_spectrometer_list.ID '_NMR_spectrometer_list.ID' 134 NMR-STAR stop_ save_ save__NMR_spectrometer_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_list.Sf_category' _Item.ID 1571 _Item.Name '_NMR_spectrometer_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 134 _Item.Category_label $NMR_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_list.Sf_framecode' _Item.ID 1572 _Item.Name '_NMR_spectrometer_list.Sf_framecode' _Item.Description ; A label that uniquely identifies the NMR spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 134 _Item.Category_label $NMR_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectrometer_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_list.Entry_ID' _Item.ID 1573 _Item.Name '_NMR_spectrometer_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 134 _Item.Category_label $NMR_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_list.Sf_ID' _Item.ID 1574 _Item.Name '_NMR_spectrometer_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 134 _Item.Category_label $NMR_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectrometer_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_list.ID' _Item.ID 1575 _Item.Name '_NMR_spectrometer_list.ID' _Item.Description ; A value that uniquely identifies the NMR spectrometer from other spectrometers listed in the entry. ; _Item.Category_ID 134 _Item.Category_label $NMR_spectrometer_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectrometer_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_list.Name' _Item.ID 1576 _Item.Name '_NMR_spectrometer_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 134 _Item.Category_label $NMR_spectrometer_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save_NMR_spectrometer_view _Category.Sf_category category_description _Category.Sf_framecode NMR_spectrometer_view _Category.ID 135 _Category.Name 'NMR_spectrometer_view' _category.Description ; Items in the NMR_spectrometer_view category provide a list of NMR spectrometers and descriptions for each spectrometer in the list. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 28 _Category.Category_group_name NMR_spectrometer_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1577 $_NMR_spectrometer_view.ID '_NMR_spectrometer_view.ID' 1578 $_NMR_spectrometer_view.Name '_NMR_spectrometer_view.Name' 1587 $_NMR_spectrometer_view.Entry_ID '_NMR_spectrometer_view.Entry_ID' 1588 $_NMR_spectrometer_view.NMR_spectrometer_list_ID '_NMR_spectrometer_view.NMR_spectrometer_list_ID' 135 NMR-STAR stop_ save_ save__NMR_spectrometer_view.ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.ID' _Item.ID 1577 _Item.Name '_NMR_spectrometer_view.ID' _Item.Description ; An integer value that uniquely identifies one NMR spectrometer from the others in the table within an entry. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectrometer_view.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Name' _Item.ID 1578 _Item.Name '_NMR_spectrometer_view.Name' _Item.Description ; A unique name for the NMR spectrometer needs to be entered to make it possible to reference the spectromer in later sections of the deposition. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Default_value '?' save_ save__NMR_spectrometer_view.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Manufacturer' _Item.ID 1579 _Item.Name '_NMR_spectrometer_view.Manufacturer' _Item.Description ; Name of the company or other entity that built the NMR spectrometer. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer_view.Manufacturer' Bruker ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' GE ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' JEOL ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' Varian ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' Agilent ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' Cambridge ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' Oxford ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' FBML ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' Nicolet ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' Home-built ? 1579 135 NMR-STAR '_NMR_spectrometer_view.Manufacturer' na ? 1579 135 NMR-STAR stop_ save_ save__NMR_spectrometer_view.Model _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Model' _Item.ID 1580 _Item.Name '_NMR_spectrometer_view.Model' _Item.Description ; The name or acronym used to describe the model of the spectrometer. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer_view.Model' AM "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' AMX "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' ARX 'from Bruker' 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' AVANCE "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' 'AVANCE III' "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' 'AVANCE NEO' "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' DMX "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' DPX "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' DRX "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' MSL "from Bruker" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' ECA "from JEOL" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' ECP "from JEOL" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' 'Uniform NMR System' "From Varian" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' INOVA "from Varian" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' Unity "from Varian" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' UnityPlus "from Varian" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' VXRS "from Varian" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' Gemini "from General Electric" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' GSX "from General Electric" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' GX "from General Electric" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' OMEGA "from General Electric" 1580 135 NMR-STAR '_NMR_spectrometer_view.Model' 'OMEGA PSG' "from General Electric" 1580 135 NMR-STAR stop_ save_ save__NMR_spectrometer_view.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Serial_number' _Item.ID 1581 _Item.Name '_NMR_spectrometer_view.Serial_number' _Item.Description ; Unique code assigned to a specific spectrometer by the manufacturer. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_spectrometer_view.Field_strength _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Field_strength' _Item.ID 1582 _Item.Name '_NMR_spectrometer_view.Field_strength' _Item.Description ; Approximate strength of the magnetic field for the spectrometer as defined by the proton frequency of the instrument expressed in MHz. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer_view.Field_strength' 400 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 500 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 600 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 700 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 800 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 900 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 90 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 120 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 140 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 200 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 250 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 270 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 300 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 350 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 360 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 450 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 470 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 550 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 590 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 720 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 750 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 850 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 920 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 950 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 1000 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' 1100 ? 1582 135 NMR-STAR '_NMR_spectrometer_view.Field_strength' na 'not available' 1582 135 NMR-STAR stop_ save_ save__NMR_spectrometer_view.Details _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Details' _Item.ID 1583 _Item.Name '_NMR_spectrometer_view.Details' _Item.Description ; A text description of the NMR spectrometer. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'text' save_ save__NMR_spectrometer_view.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Citation_ID' _Item.ID 1584 _Item.Name '_NMR_spectrometer_view.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_spectrometer_view.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Citation_label' _Item.ID 1585 _Item.Name '_NMR_spectrometer_view.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__NMR_spectrometer_view.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Sf_ID' _Item.ID 1586 _Item.Name '_NMR_spectrometer_view.Sf_ID' _Item.Description ; Pointer to '_NMR_spectrometer_list.Sf_ID' ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_spectrometer_view.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.Entry_ID' _Item.ID 1587 _Item.Name '_NMR_spectrometer_view.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_view.NMR_spectrometer_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_view.NMR_spectrometer_list_ID' _Item.ID 1588 _Item.Name '_NMR_spectrometer_view.NMR_spectrometer_list_ID' _Item.Description ; Pointer to '_NMR_spectrometer_list.ID' ; _Item.Category_ID 135 _Item.Category_label $NMR_spectrometer_view _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_spectrometer_probe _Category.Sf_category category_description _Category.Sf_framecode NMR_spectrometer_probe _Category.ID 136 _Category.Name 'NMR_spectrometer_probe' _category.Description ; Items in the NMR_spectrometer_probe category describe an NMR spectrometer probe. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 29 _Category.Category_group_name NMR_spectrometer_probe _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1591 $_NMR_spectrometer_probe.Entry_ID '_NMR_spectrometer_probe.Entry_ID' 1593 $_NMR_spectrometer_probe.ID '_NMR_spectrometer_probe.ID' 136 NMR-STAR stop_ save_ save__NMR_spectrometer_probe.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Sf_category' _Item.ID 1589 _Item.Name '_NMR_spectrometer_probe.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_probe.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Sf_framecode' _Item.ID 1590 _Item.Name '_NMR_spectrometer_probe.Sf_framecode' _Item.Description ; A label that uniquely identifies the probe from other probes listed in the entry. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectrometer_probe.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Entry_ID' _Item.ID 1591 _Item.Name '_NMR_spectrometer_probe.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_probe.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Sf_ID' _Item.ID 1592 _Item.Name '_NMR_spectrometer_probe.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectrometer_probe.ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.ID' _Item.ID 1593 _Item.Name '_NMR_spectrometer_probe.ID' _Item.Description ; A value that uniquely identifies the NMR probe from other probes listed in the entry. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectrometer_probe.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Name' _Item.ID 1594 _Item.Name '_NMR_spectrometer_probe.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_spectrometer_probe.Details _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Details' _Item.ID 1595 _Item.Name '_NMR_spectrometer_probe.Details' _Item.Description ; Text information describing the NMR spectrometer probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'text' save_ save__NMR_spectrometer_probe.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Manufacturer' _Item.ID 1596 _Item.Name '_NMR_spectrometer_probe.Manufacturer' _Item.Description ; Name of the company or other entity that built the NMR probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer_probe.Manufacturer' Agilent ? 1596 136 NMR-STAR '_NMR_spectrometer_probe.Manufacturer' Bruker ? 1596 136 NMR-STAR '_NMR_spectrometer_probe.Manufacturer' DOTY ? 1596 136 NMR-STAR '_NMR_spectrometer_probe.Manufacturer' GE ? 1596 136 NMR-STAR '_NMR_spectrometer_probe.Manufacturer' JEOL ? 1596 136 NMR-STAR '_NMR_spectrometer_probe.Manufacturer' Varian ? 1596 136 NMR-STAR '_NMR_spectrometer_probe.Manufacturer' na ? 1596 136 NMR-STAR stop_ save_ save__NMR_spectrometer_probe.Model _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Model' _Item.ID 1597 _Item.Name '_NMR_spectrometer_probe.Model' _Item.Description ; The name or acronym used to describe the model of the probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__NMR_spectrometer_probe.Serial_number _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Serial_number' _Item.ID 1598 _Item.Name '_NMR_spectrometer_probe.Serial_number' _Item.Description ; Unique code assigned to a specific probe by the manufacturer. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_spectrometer_probe.Diameter _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Diameter' _Item.ID 1599 _Item.Name '_NMR_spectrometer_probe.Diameter' _Item.Description ; The diameter of the probe bore. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'float' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spectrometer_probe.Diameter' '1.7 mm' ? 1599 136 NMR-STAR '_NMR_spectrometer_probe.Diameter' '3 mm' ? 1599 136 NMR-STAR '_NMR_spectrometer_probe.Diameter' '5 mm' ? 1599 136 NMR-STAR '_NMR_spectrometer_probe.Diameter' '8 mm' ? 1599 136 NMR-STAR '_NMR_spectrometer_probe.Diameter' '10 mm' ? 1599 136 NMR-STAR '_NMR_spectrometer_probe.Diameter' '20 mm' ? 1599 136 NMR-STAR stop_ save_ save__NMR_spectrometer_probe.Rotor_length _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Rotor_length' _Item.ID 1600 _Item.Name '_NMR_spectrometer_probe.Rotor_length' _Item.Description ; Length of the rotor used in the probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'float' save_ save__NMR_spectrometer_probe.Rotor_composition _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Rotor_composition' _Item.ID 1601 _Item.Name '_NMR_spectrometer_probe.Rotor_composition' _Item.Description ; Chemical composition of the rotor used in the probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_spectrometer_probe.Internal_volume _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Internal_volume' _Item.ID 1602 _Item.Name '_NMR_spectrometer_probe.Internal_volume' _Item.Description ; The internal volume of the probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'float' save_ save__NMR_spectrometer_probe.Spacer_present _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe.Spacer_present' _Item.ID 1603 _Item.Name '_NMR_spectrometer_probe.Spacer_present' _Item.Description ; A code indicating the presence of a spacer in the probe. ; _Item.Category_ID 136 _Item.Category_label $NMR_spectrometer_probe _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save_NMR_probe _Category.Sf_category category_description _Category.Sf_framecode NMR_probe _Category.ID 137 _Category.Name 'NMR_probe' _category.Description ; Items in the NMR_probe category describe the type of probe. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 29 _Category.Category_group_name NMR_spectrometer_probe _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1604 $_NMR_probe.Type '_NMR_probe.Type' 1606 $_NMR_probe.Entry_ID '_NMR_probe.Entry_ID' 1607 $_NMR_probe.NMR_spectrometer_probe_ID '_NMR_probe.NMR_spectrometer_probe_ID' 137 NMR-STAR stop_ save_ save__NMR_probe.Type _Item.Sf_category item_description _Item.Sf_framecode '_NMR_probe.Type' _Item.ID 1604 _Item.Name '_NMR_probe.Type' _Item.Description ; The type of NMR probe installed in the NMR spectrometer used to collect data. ; _Item.Category_ID 137 _Item.Category_label $NMR_probe _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_probe.Type' 'transmission line' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'home built' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'triple resonance' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'double resonance' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'inverse coil' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'solenoid coil' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'saddle coil' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'room temperature' ? 1604 137 NMR-STAR '_NMR_probe.Type' 'cryogenically cooled' ? 1604 137 NMR-STAR '_NMR_probe.Type' na ? 1604 137 NMR-STAR stop_ save_ save__NMR_probe.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_probe.Sf_ID' _Item.ID 1605 _Item.Name '_NMR_probe.Sf_ID' _Item.Description ; Pointer to '_NMR_spectrometer_probe.Sf_ID' ; _Item.Category_ID 137 _Item.Category_label $NMR_probe _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_probe.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_probe.Entry_ID' _Item.ID 1606 _Item.Name '_NMR_probe.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 137 _Item.Category_label $NMR_probe _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_probe.NMR_spectrometer_probe_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_probe.NMR_spectrometer_probe_ID' _Item.ID 1607 _Item.Name '_NMR_probe.NMR_spectrometer_probe_ID' _Item.Description ; Pointer to '_NMR_spectrometer_probe.ID' ; _Item.Category_ID 137 _Item.Category_label $NMR_probe _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_spectrometer_probe_citation _Category.Sf_category category_description _Category.Sf_framecode NMR_spectrometer_probe_citation _Category.ID 138 _Category.Name 'NMR_spectrometer_probe_citation' _category.Description ; Items in the NMR_spectrometer_probe_citation category provide pointers to the citations category. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 29 _Category.Category_group_name NMR_spectrometer_probe _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1608 $_NMR_spectrometer_probe_citation.Citation_ID '_NMR_spectrometer_probe_citation.Citation_ID' 1611 $_NMR_spectrometer_probe_citation.Entry_ID '_NMR_spectrometer_probe_citation.Entry_ID' 1612 $_NMR_spectrometer_probe_citation.NMR_spectrometer_probe_ID '_NMR_spectrometer_probe_citation.NMR_spectrometer_probe_ID' 138 NMR-STAR stop_ save_ save__NMR_spectrometer_probe_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe_citation.Citation_ID' _Item.ID 1608 _Item.Name '_NMR_spectrometer_probe_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 138 _Item.Category_label $NMR_spectrometer_probe_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectrometer_probe_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe_citation.Citation_label' _Item.ID 1609 _Item.Name '_NMR_spectrometer_probe_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 138 _Item.Category_label $NMR_spectrometer_probe_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectrometer_probe_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe_citation.Sf_ID' _Item.ID 1610 _Item.Name '_NMR_spectrometer_probe_citation.Sf_ID' _Item.Description ; Pointer to '_NMR_spectrometer_probe.Sf_ID' ; _Item.Category_ID 138 _Item.Category_label $NMR_spectrometer_probe_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectrometer_probe_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe_citation.Entry_ID' _Item.ID 1611 _Item.Name '_NMR_spectrometer_probe_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 138 _Item.Category_label $NMR_spectrometer_probe_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectrometer_probe_citation.NMR_spectrometer_probe_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectrometer_probe_citation.NMR_spectrometer_probe_ID' _Item.ID 1612 _Item.Name '_NMR_spectrometer_probe_citation.NMR_spectrometer_probe_ID' _Item.Description ; Pointer to '_NMR_spectrometer_probe.ID' ; _Item.Category_ID 138 _Item.Category_label $NMR_spectrometer_probe_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Experiment_list _Category.Sf_category category_description _Category.Sf_framecode Experiment_list _Category.ID 139 _Category.Name 'Experiment_list' _category.Description ; Items in the experiment_list category provide meta data about a set of experiments used to collect the data provided in an entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 33 _Category.Category_group_name experiment_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1615 $_Experiment_list.Entry_ID '_Experiment_list.Entry_ID' 1617 $_Experiment_list.ID '_Experiment_list.ID' 139 NMR-STAR stop_ save_ save__Experiment_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_list.Sf_category' _Item.ID 1613 _Item.Name '_Experiment_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 139 _Item.Category_label $Experiment_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experiment_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_list.Sf_framecode' _Item.ID 1614 _Item.Name '_Experiment_list.Sf_framecode' _Item.Description ; Descriptive label used to uniquely identify the NMR experiment list within the entry. ; _Item.Category_ID 139 _Item.Category_label $Experiment_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Experiment_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_list.Entry_ID' _Item.ID 1615 _Item.Name '_Experiment_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 139 _Item.Category_label $Experiment_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experiment_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_list.Sf_ID' _Item.ID 1616 _Item.Name '_Experiment_list.Sf_ID' _Item.Description ; A value that uniquely identifies the NMR experiment list and is unique across the full database of entries. ; _Item.Category_ID 139 _Item.Category_label $Experiment_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Experiment_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_list.ID' _Item.ID 1617 _Item.Name '_Experiment_list.ID' _Item.Description ; Unique identifier for the list of NMR experiments. ; _Item.Category_ID 139 _Item.Category_label $Experiment_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Experiment_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_list.Details' _Item.ID 1618 _Item.Name '_Experiment_list.Details' _Item.Description ; Text providing further information describing the NMR experiment(s) listed. ; _Item.Category_ID 139 _Item.Category_label $Experiment_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Experiment _Category.Sf_category category_description _Category.Sf_framecode Experiment _Category.ID 140 _Category.Name 'Experiment' _category.Description ; Items in the experiment category define the experiments carried out and the samples, sample conditions, and if relevant NMR spectrometer used in the experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 33 _Category.Category_group_name experiment_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1619 $_Experiment.ID '_Experiment.ID' 1664 $_Experiment.Entry_ID '_Experiment.Entry_ID' 1665 $_Experiment.Experiment_list_ID '_Experiment.Experiment_list_ID' 140 NMR-STAR stop_ save_ save__Experiment.ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.ID' _Item.ID 1619 _Item.Name '_Experiment.ID' _Item.Description ; Unique identifier for each experiment listed. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Experiment.Name _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Name' _Item.ID 1620 _Item.Name '_Experiment.Name' _Item.Description ; Names for NMR experiments commonly found in the literature. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Experiment.Name' '1D 1H' ? 1620 140 NMR-STAR '_Experiment.Name' '1D 13C' ? 1620 140 NMR-STAR '_Experiment.Name' '1D 15N' ? 1620 140 NMR-STAR '_Experiment.Name' '1D 31P' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-13C HMQC' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-15N HSQC' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-15N HSQC NH2 only' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-15N TROSY' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-13C HSQC' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-13C HSQC/HMQC' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-13C HSQC aliphatic' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-13C HSQC aromatic' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-1H TOCSY' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-1H ROESY' ? 1620 140 NMR-STAR '_Experiment.Name' '2D DQF-COSY' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-1H COSY' ? 1620 140 NMR-STAR '_Experiment.Name' '2D 1H-1H NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '2D (HB)CB(CGCD)HD' ? 1620 140 NMR-STAR '_Experiment.Name' 'T1/R1 relaxation' ? 1620 140 NMR-STAR '_Experiment.Name' 'T1rho/R1rho relaxation' ? 1620 140 NMR-STAR '_Experiment.Name' 'T2/R2 relaxation' ? 1620 140 NMR-STAR '_Experiment.Name' '1H-15N heteronoe' ? 1620 140 NMR-STAR '_Experiment.Name' 'JR NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' 'L-PROSY NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D CBCACONH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D CBCA(CO)NH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D CBCANH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D C(CO)NH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HNCO' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HNCA' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HBHANH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HNCACB' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HN(CA)CO' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HNCACO' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HBHA(CO)NH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HN(CO)CA' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HN(CO)CACB' ? 1620 140 NMR-STAR '_Experiment.Name' '3D CCH-TOCSY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D H(CCO)NH' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HCCH-TOCSY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D (H)CCH-TOCSY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 15N-separated NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 13C-separated NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 1H-15N NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 1H-15N TOCSY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 1H-13C NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 1H-13C NOESY aliphatic' ? 1620 140 NMR-STAR '_Experiment.Name' '3D 1H-13C NOESY aromatic' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HNHA' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HNHB' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HCCH-COSY' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HCACO' ? 1620 140 NMR-STAR '_Experiment.Name' '3D HN(COCA)CB' ? 1620 140 NMR-STAR '_Experiment.Name' '4D CC NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '4D 13C-separated NOESY' ? 1620 140 NMR-STAR '_Experiment.Name' '5D APSY CBCACONH' ? 1620 140 NMR-STAR '_Experiment.Name' '5D APSY HACACONH' ? 1620 140 NMR-STAR '_Experiment.Name' '5D HN(CA)CONH' ? 1620 140 NMR-STAR '_Experiment.Name' '15N-(1H) NOE' ? 1620 140 NMR-STAR '_Experiment.Name' '13C-(1H) NOE' ? 1620 140 NMR-STAR '_Experiment.Name' DARR SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D DARR' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D 13C-13C DARR' SSNMR 1620 140 NMR-STAR '_Experiment.Name' CANcoCX SSNMR 1620 140 NMR-STAR '_Experiment.Name' NCACX SSNMR 1620 140 NMR-STAR '_Experiment.Name' NCOCX SSNMR 1620 140 NMR-STAR '_Experiment.Name' CONCA SSNMR 1620 140 NMR-STAR '_Experiment.Name' '3D NCOCX' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '3D NCACX' SSNMR 1620 140 NMR-STAR '_Experiment.Name' PAIN SSNMR 1620 140 NMR-STAR '_Experiment.Name' PAR SSNMR 1620 140 NMR-STAR '_Experiment.Name' '15N-1H solid-state de-HETCOR' SSNMR 1620 140 NMR-STAR '_Experiment.Name' FS-REDOR SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D 15N-13C TEDOR' SSNMR 1620 140 NMR-STAR '_Experiment.Name' 'CN TEDOR' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D 13C/13C PDSD' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D 13C/13C TOBSY' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D HBCBCGCDCEHE' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D HBCBCGCDHD' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D 13C-detected CORD' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '2D 13C-detected NCA' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '1H-detected (H)NH HETCOR' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '3D RNCSA' SSNMR 1620 140 NMR-STAR '_Experiment.Name' '3D ROCSA' SSNMR 1620 140 NMR-STAR stop_ save_ save__Experiment.Raw_data_flag _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Raw_data_flag' _Item.ID 1621 _Item.Name '_Experiment.Raw_data_flag' _Item.Description ; The value for this tag is a flag to indicate if time-domain (raw) NMR data have been deposited for this experiment. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Experiment.NUS_flag _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NUS_flag' _Item.ID 1622 _Item.Name '_Experiment.NUS_flag' _Item.Description ; The value for this tag is a flag to indicate 'yes' or 'no' if non-uniform sampling of spectral data points was used in collecting the data for the experiment. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Experiment.Interleaved_flag _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Interleaved_flag' _Item.ID 1623 _Item.Name '_Experiment.Interleaved_flag' _Item.Description ; The value for this tag is a flag to indicate 'yes' or 'no' if spectral interleaving was used in collecting the data for the experiment. Spectral interleaving is often used in relaxation experiments and temperature studies. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Experiment.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spec_expt_ID' _Item.ID 1624 _Item.Name '_Experiment.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.NMR_spec_expt_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spec_expt_label' _Item.ID 1625 _Item.Name '_Experiment.NMR_spec_expt_label' _Item.Description ; Pointer to a save frame of category 'NMR_spectrometer_expt'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.MS_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.MS_expt_ID' _Item.ID 1626 _Item.Name '_Experiment.MS_expt_ID' _Item.Description ; Pointer to '_MS_expt.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.MS_expt_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.MS_expt_label' _Item.ID 1627 _Item.Name '_Experiment.MS_expt_label' _Item.Description ; Pointer to a save frame of category 'MS_expt'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.SAXS_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.SAXS_expt_ID' _Item.ID 1628 _Item.Name '_Experiment.SAXS_expt_ID' _Item.Description ; Pointer to '_SAXS_expt.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.SAXS_expt_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.SAXS_expt_label' _Item.ID 1629 _Item.Name '_Experiment.SAXS_expt_label' _Item.Description ; Pointer to a save frame of category 'SAXS_expt'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.FRET_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.FRET_expt_ID' _Item.ID 1630 _Item.Name '_Experiment.FRET_expt_ID' _Item.Description ; Pointer to '_FRET_expt.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.FRET_expt_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.FRET_expt_label' _Item.ID 1631 _Item.Name '_Experiment.FRET_expt_label' _Item.Description ; Pointer to a save frame of category 'FRET_expt'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.EMR_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.EMR_expt_ID' _Item.ID 1632 _Item.Name '_Experiment.EMR_expt_ID' _Item.Description ; Pointer to '_EMR_expt.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.EMR_expt_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.EMR_expt_label' _Item.ID 1633 _Item.Name '_Experiment.EMR_expt_label' _Item.Description ; Pointer to a save frame of category 'EMR_expt'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_ID' _Item.ID 1634 _Item.Name '_Experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_label' _Item.ID 1635 _Item.Name '_Experiment.Sample_label' _Item.Description ; Pointer to a save frame of category 'sample''. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_state' _Item.ID 1636 _Item.Name '_Experiment.Sample_state' _Item.Description ; Physical state of the sample (anisotropic or isotropic for solution studies and solid for solid-state studies). ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Experiment.Sample_state' isotropic ? 1636 140 NMR-STAR '_Experiment.Sample_state' anisotropic ? 1636 140 NMR-STAR stop_ save_ save__Experiment.Sample_volume _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_volume' _Item.ID 1637 _Item.Name '_Experiment.Sample_volume' _Item.Description ; The volume of the sample used. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Experiment.Sample_volume_units _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_volume_units' _Item.ID 1638 _Item.Name '_Experiment.Sample_volume_units' _Item.Description ; The units of the measure for the volume of the sample. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experiment.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_condition_list_ID' _Item.ID 1639 _Item.Name '_Experiment.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_condition_list_label' _Item.ID 1640 _Item.Name '_Experiment.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of category 'sample_conditions'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Sample_spinning_rate _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_spinning_rate' _Item.ID 1641 _Item.Name '_Experiment.Sample_spinning_rate' _Item.Description ; The rate at which the sample was spun while in the NMR spectrometer during the NMR experiment. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Experiment.Sample_angle _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sample_angle' _Item.ID 1642 _Item.Name '_Experiment.Sample_angle' _Item.Description ; The angle at which the sample was positioned in the NMR spectrometer during the NMR experiment. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Experiment.NMR_tube_type _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_tube_type' _Item.ID 1643 _Item.Name '_Experiment.NMR_tube_type' _Item.Description ; The kind of NMR sample tube used to hold the sample during the NMR experiment. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experiment.NMR_spectrometer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spectrometer_ID' _Item.ID 1644 _Item.Name '_Experiment.NMR_spectrometer_ID' _Item.Description ; Pointer to '_NMR_spectrometer.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.NMR_spectrometer_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spectrometer_label' _Item.ID 1645 _Item.Name '_Experiment.NMR_spectrometer_label' _Item.Description ; Pointer to a save frame of category 'NMR_spectrometer'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.NMR_spectrometer_probe_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spectrometer_probe_ID' _Item.ID 1646 _Item.Name '_Experiment.NMR_spectrometer_probe_ID' _Item.Description ; Pointer to '_NMR_spectrometer_probe.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.NMR_spectrometer_probe_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spectrometer_probe_label' _Item.ID 1647 _Item.Name '_Experiment.NMR_spectrometer_probe_label' _Item.Description ; Pointer to save frame of category 'NMR_spectrometer_probe' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.NMR_spectral_processing_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spectral_processing_ID' _Item.ID 1648 _Item.Name '_Experiment.NMR_spectral_processing_ID' _Item.Description ; Pointer to '_NMR_spectral_processing.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.NMR_spectral_processing_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.NMR_spectral_processing_label' _Item.ID 1649 _Item.Name '_Experiment.NMR_spectral_processing_label' _Item.Description ; Pointer to a save frame of category 'NMR_spectral_processing'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Mass_spectrometer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Mass_spectrometer_ID' _Item.ID 1650 _Item.Name '_Experiment.Mass_spectrometer_ID' _Item.Description ; Pointer to '_Mass_spec.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Mass_spectrometer_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Mass_spectrometer_label' _Item.ID 1651 _Item.Name '_Experiment.Mass_spectrometer_label' _Item.Description ; Pointer to a save frame of category 'Mass_spectrometer'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Xray_instrument_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Xray_instrument_ID' _Item.ID 1652 _Item.Name '_Experiment.Xray_instrument_ID' _Item.Description ; Pointer to '_Xray_instrument.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Xray_instrument_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Xray_instrument_label' _Item.ID 1653 _Item.Name '_Experiment.Xray_instrument_label' _Item.Description ; Pointer to a save frame of category 'Xray_instrument'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Fluorescence_instrument_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Fluorescence_instrument_ID' _Item.ID 1654 _Item.Name '_Experiment.Fluorescence_instrument_ID' _Item.Description ; Pointer to '_Fluorescence_instrument.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Fluorescence_instrument_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Fluorescence_instrument_label' _Item.ID 1655 _Item.Name '_Experiment.Fluorescence_instrument_label' _Item.Description ; Pointer to a save frame of category 'fluorescence_instrument'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.EMR_instrument_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.EMR_instrument_ID' _Item.ID 1656 _Item.Name '_Experiment.EMR_instrument_ID' _Item.Description ; Pointer to '_EMR_instrument.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.EMR_instrument_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.EMR_instrument_label' _Item.ID 1657 _Item.Name '_Experiment.EMR_instrument_label' _Item.Description ; Pointer to a save frame of category 'EMR_instrument'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Chromatographic_system_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Chromatographic_system_ID' _Item.ID 1658 _Item.Name '_Experiment.Chromatographic_system_ID' _Item.Description ; Pointer to '_Chromatographic_system.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Chromatographic_system_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Chromatographic_system_label' _Item.ID 1659 _Item.Name '_Experiment.Chromatographic_system_label' _Item.Description ; Pointer to a save frame of category 'chromatographic_system'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Chromatographic_column_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Chromatographic_column_ID' _Item.ID 1660 _Item.Name '_Experiment.Chromatographic_column_ID' _Item.Description ; Pointer to '_Chromatographic_column.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Experiment.Chromatographic_column_label _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Chromatographic_column_label' _Item.ID 1661 _Item.Name '_Experiment.Chromatographic_column_label' _Item.Description ; Pointer to a save frame of category 'chromatographic_column'. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experiment.Details _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Details' _Item.ID 1662 _Item.Name '_Experiment.Details' _Item.Description ; Additional information describing the experiment and/or list of parameters used to carry out the experiment. ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Sf_ID' _Item.ID 1663 _Item.Name '_Experiment.Sf_ID' _Item.Description ; Pointer to '_Experiment_list.Sf_ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Entry_ID' _Item.ID 1664 _Item.Name '_Experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experiment.Experiment_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment.Experiment_list_ID' _Item.ID 1665 _Item.Name '_Experiment.Experiment_list_ID' _Item.Description ; Pointer to '_Experiment_list.ID' ; _Item.Category_ID 140 _Item.Category_label $Experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Experiment_file _Category.Sf_category category_description _Category.Sf_framecode Experiment_file _Category.ID 141 _Category.Name 'Experiment_file' _category.Description ; Items in the experiment_file category provide the name of a file containing information for an experiment and the contents of the file. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 33 _Category.Category_group_name experiment_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1666 $_Experiment_file.Experiment_ID '_Experiment_file.Experiment_ID' 1668 $_Experiment_file.Name '_Experiment_file.Name' 141 NMR-STAR stop_ save_ save__Experiment_file.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Experiment_ID' _Item.ID 1666 _Item.Name '_Experiment_file.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experiment_file.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Experiment_name' _Item.ID 1667 _Item.Name '_Experiment_file.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experiment_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Name' _Item.ID 1668 _Item.Name '_Experiment_file.Name' _Item.Description ; The name of a computer file containing information related to the experiment. ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Experiment_file.Type _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Type' _Item.ID 1669 _Item.Name '_Experiment_file.Type' _Item.Description ; The type of computer file that has information related to the experiment. ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experiment_file.Content _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Content' _Item.ID 1670 _Item.Name '_Experiment_file.Content' _Item.Description ; The kind of data contained in the file. ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Experiment_file.Content' 'NMR experiment directory' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Time-domain (raw spectral data)' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Pulse sequence image file' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Pulse sequence' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Pulse field gradient' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Peak list' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Spectral image' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Acquisition parameters' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'Processing parameters' ? 1670 141 NMR-STAR '_Experiment_file.Content' 'NUS schedule' 'non-uniform sampling schedule' 1670 141 NMR-STAR '_Experiment_file.Content' na ? 1670 141 NMR-STAR stop_ save_ save__Experiment_file.Directory_path _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Directory_path' _Item.ID 1671 _Item.Name '_Experiment_file.Directory_path' _Item.Description ; The directory path where the computer file is located. ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Experiment_file.Details _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Details' _Item.ID 1672 _Item.Name '_Experiment_file.Details' _Item.Description ; Text providing additional information regarding the computer file. ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Experiment_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Sf_ID' _Item.ID 1673 _Item.Name '_Experiment_file.Sf_ID' _Item.Description ; Pointer to '_Experiment_list.Sf_ID' ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experiment_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Entry_ID' _Item.ID 1674 _Item.Name '_Experiment_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experiment_file.Experiment_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experiment_file.Experiment_list_ID' _Item.ID 1675 _Item.Name '_Experiment_file.Experiment_list_ID' _Item.Description ; Pointer to '_Experiment_list.ID' ; _Item.Category_ID 141 _Item.Category_label $Experiment_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_spec_expt _Category.Sf_category category_description _Category.Sf_framecode NMR_spec_expt _Category.ID 142 _Category.Name 'NMR_spec_expt' _category.Description ; Items in the NMR_spec_expt category provide detailed information about an NMR spectrometer experiment. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1678 $_NMR_spec_expt.Entry_ID '_NMR_spec_expt.Entry_ID' 1680 $_NMR_spec_expt.ID '_NMR_spec_expt.ID' 142 NMR-STAR stop_ save_ save__NMR_spec_expt.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sf_category' _Item.ID 1676 _Item.Name '_NMR_spec_expt.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spec_expt.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sf_framecode' _Item.ID 1677 _Item.Name '_NMR_spec_expt.Sf_framecode' _Item.Description ; Descriptive label used to uniquely identify the NMR experiment and its parameters. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spec_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Entry_ID' _Item.ID 1678 _Item.Name '_NMR_spec_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spec_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sf_ID' _Item.ID 1679 _Item.Name '_NMR_spec_expt.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spec_expt.ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.ID' _Item.ID 1680 _Item.Name '_NMR_spec_expt.ID' _Item.Description ; A value that uniquely identifies the NMR experiment from other NMR experiments listed in the entry. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spec_expt.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Name' _Item.ID 1681 _Item.Name '_NMR_spec_expt.Name' _Item.Description ; A commonly used name for the NMR experiment found in the literature. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumeration_closed_code yes save_ save__NMR_spec_expt.Type _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Type' _Item.ID 1682 _Item.Name '_NMR_spec_expt.Type' _Item.Description ; The type of NMR experiment. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spec_expt.Type' NOE ? 1682 142 NMR-STAR '_NMR_spec_expt.Type' COSY ? 1682 142 NMR-STAR stop_ save_ save__NMR_spec_expt.Sample_volume _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sample_volume' _Item.ID 1683 _Item.Name '_NMR_spec_expt.Sample_volume' _Item.Description ; Volume of the sample during data collection ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__NMR_spec_expt.Sample_volume_units _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sample_volume_units' _Item.ID 1684 _Item.Name '_NMR_spec_expt.Sample_volume_units' _Item.Description ; Provide the units appropriate for the sample volume. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'code' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spec_expt.Sample_volume_units' uL ? 1684 142 NMR-STAR '_NMR_spec_expt.Sample_volume_units' mL ? 1684 142 NMR-STAR stop_ save_ save__NMR_spec_expt.NMR_tube_type _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.NMR_tube_type' _Item.ID 1685 _Item.Name '_NMR_spec_expt.NMR_tube_type' _Item.Description ; Type of NMR tube used to contain the sample during data acquisition. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_spec_expt.NMR_tube_type' 'cylindrical microcell' ? 1685 142 NMR-STAR '_NMR_spec_expt.NMR_tube_type' Shigemi ? 1685 142 NMR-STAR '_NMR_spec_expt.NMR_tube_type' 'spherical microcell' ? 1685 142 NMR-STAR '_NMR_spec_expt.NMR_tube_type' 'standard cylindrical' ? 1685 142 NMR-STAR stop_ save_ save__NMR_spec_expt.Sample_spinning_rate _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sample_spinning_rate' _Item.ID 1686 _Item.Name '_NMR_spec_expt.Sample_spinning_rate' _Item.Description ; The spinning rate of the sample during data collection (in Hz). ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__NMR_spec_expt.Sample_angle _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Sample_angle' _Item.ID 1687 _Item.Name '_NMR_spec_expt.Sample_angle' _Item.Description ; The angle of the sample relative to the external magnetic field. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__NMR_spec_expt.NMR_spectrometer_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.NMR_spectrometer_ID' _Item.ID 1688 _Item.Name '_NMR_spec_expt.NMR_spectrometer_ID' _Item.Description ; Pointer to '_NMR_spectrometer.ID' ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spec_expt.NMR_spectrometer_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.NMR_spectrometer_label' _Item.ID 1689 _Item.Name '_NMR_spec_expt.NMR_spectrometer_label' _Item.Description ; Pointer to a save frame of the category NMR_spectrometer. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spec_expt.NMR_spectrometer_probe_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.NMR_spectrometer_probe_ID' _Item.ID 1690 _Item.Name '_NMR_spec_expt.NMR_spectrometer_probe_ID' _Item.Description ; Pointer to '_NMR_spectrometer_probe.ID' ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_spec_expt.NMR_spectrometer_probe_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.NMR_spectrometer_probe_label' _Item.ID 1691 _Item.Name '_NMR_spec_expt.NMR_spectrometer_probe_label' _Item.Description ; Pointer to a save frame of the category NMR_spectrometer_probe. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__NMR_spec_expt.Carrier_freq_switch_time _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Carrier_freq_switch_time' _Item.ID 1692 _Item.Name '_NMR_spec_expt.Carrier_freq_switch_time' _Item.Description ; The time required to switch between carrier frequencies. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__NMR_spec_expt.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Software_ID' _Item.ID 1693 _Item.Name '_NMR_spec_expt.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_spec_expt.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Software_label' _Item.ID 1694 _Item.Name '_NMR_spec_expt.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__NMR_spec_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Method_ID' _Item.ID 1695 _Item.Name '_NMR_spec_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_spec_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Method_label' _Item.ID 1696 _Item.Name '_NMR_spec_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__NMR_spec_expt.Pulse_seq_accession_BMRB_code _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Pulse_seq_accession_BMRB_code' _Item.ID 1697 _Item.Name '_NMR_spec_expt.Pulse_seq_accession_BMRB_code' _Item.Description ; An accession code assigned by BMRB that uniquely identifies the NMR experiment pulse sequence within the BMRB pulse sequence library. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'code' save_ save__NMR_spec_expt.Details _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spec_expt.Details' _Item.ID 1698 _Item.Name '_NMR_spec_expt.Details' _Item.Description ; A text description of the experiment. ; _Item.Category_ID 142 _Item.Category_label $NMR_spec_expt _Item.Mandatory_code no _Item.Type_code 'text' save_ save_NMR_expt_systematic_name _Category.Sf_category category_description _Category.Sf_framecode NMR_expt_systematic_name _Category.ID 143 _Category.Name 'NMR_expt_systematic_name' _category.Description ; Items in the NMR_expt_systematic_name category provide a name for an NMR experiment that is derived from a systematic naming system and the system used. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1699 $_NMR_expt_systematic_name.Name '_NMR_expt_systematic_name.Name' 1700 $_NMR_expt_systematic_name.Naming_system '_NMR_expt_systematic_name.Naming_system' 1702 $_NMR_expt_systematic_name.Entry_ID '_NMR_expt_systematic_name.Entry_ID' 1703 $_NMR_expt_systematic_name.NMR_spec_expt_ID '_NMR_expt_systematic_name.NMR_spec_expt_ID' 143 NMR-STAR stop_ save_ save__NMR_expt_systematic_name.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_expt_systematic_name.Name' _Item.ID 1699 _Item.Name '_NMR_expt_systematic_name.Name' _Item.Description ; Name for the NMR experiment as defined by a systematic naming system. ; _Item.Category_ID 143 _Item.Category_label $NMR_expt_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__NMR_expt_systematic_name.Naming_system _Item.Sf_category item_description _Item.Sf_framecode '_NMR_expt_systematic_name.Naming_system' _Item.ID 1700 _Item.Name '_NMR_expt_systematic_name.Naming_system' _Item.Description ; The name of the systematic NMR experiment naming system used to name the NMR experiment. ; _Item.Category_ID 143 _Item.Category_label $NMR_expt_systematic_name _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_expt_systematic_name.Naming_system' 'CCPN convention' ? 1700 143 NMR-STAR stop_ save_ save__NMR_expt_systematic_name.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_expt_systematic_name.Sf_ID' _Item.ID 1701 _Item.Name '_NMR_expt_systematic_name.Sf_ID' _Item.Description ; Pointer to '_NMR_spec_expt.Sf_ID' ; _Item.Category_ID 143 _Item.Category_label $NMR_expt_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_expt_systematic_name.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_expt_systematic_name.Entry_ID' _Item.ID 1702 _Item.Name '_NMR_expt_systematic_name.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 143 _Item.Category_label $NMR_expt_systematic_name _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_expt_systematic_name.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_expt_systematic_name.NMR_spec_expt_ID' _Item.ID 1703 _Item.Name '_NMR_expt_systematic_name.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 143 _Item.Category_label $NMR_expt_systematic_name _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_experiment_file _Category.Sf_category category_description _Category.Sf_framecode NMR_experiment_file _Category.ID 144 _Category.Name 'NMR_experiment_file' _category.Description ; Items in the NMR_experiment_file category define the electronic files used to carry out or produced by an NMR spectrometer experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1704 $_NMR_experiment_file.Name '_NMR_experiment_file.Name' 1715 $_NMR_experiment_file.Entry_ID '_NMR_experiment_file.Entry_ID' 1716 $_NMR_experiment_file.NMR_spec_expt_ID '_NMR_experiment_file.NMR_spec_expt_ID' 144 NMR-STAR stop_ save_ save__NMR_experiment_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Name' _Item.ID 1704 _Item.Name '_NMR_experiment_file.Name' _Item.Description ; The name of the file containing information relevant to the NMR experiment. Multiple files can be listed. These files might include the time-domain (raw) data for the NMR experiment, the pulse sequence for the experiment, and parameters for acquiring an ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__NMR_experiment_file.Type _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Type' _Item.ID 1705 _Item.Name '_NMR_experiment_file.Type' _Item.Description ; The type of time-domain file being deposited. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_NMR_experiment_file.Type' 'NMR experiment directory' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Time-domain (raw spectral data)' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Pulse sequence image file' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Pulse sequence' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Pulse field gradient' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Peak list' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Spectral image' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Acquisition parameters' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' 'Processing parameters' ? 1705 144 NMR-STAR '_NMR_experiment_file.Type' na ? 1705 144 NMR-STAR stop_ save_ save__NMR_experiment_file.Directory_path _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Directory_path' _Item.ID 1706 _Item.Name '_NMR_experiment_file.Directory_path' _Item.Description ; The directory path within the BMRB archive that must be followed to locate listed NMR experiment file. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'text' save_ save__NMR_experiment_file.Byte_order _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Byte_order' _Item.ID 1707 _Item.Name '_NMR_experiment_file.Byte_order' _Item.Description ; How the bytes (usually 4, but sometimes 3, for example on AM spectrometers) are arranged. Depends on the computer platform employed. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_experiment_file.Bytes_per_data_point _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Bytes_per_data_point' _Item.ID 1708 _Item.Name '_NMR_experiment_file.Bytes_per_data_point' _Item.Description ; Number of bytes per data point. Most Sun, SGI, and Linux systems use 4 bytes ( of 8 bits each yielding a total of 32 bits) per point. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_experiment_file.File_header_size _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.File_header_size' _Item.ID 1709 _Item.Name '_NMR_experiment_file.File_header_size' _Item.Description ; Size in bytes of the file header associated with the raw unprocessed data. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_experiment_file.Record_header_size _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Record_header_size' _Item.ID 1710 _Item.Name '_NMR_experiment_file.Record_header_size' _Item.Description ; Size in bytes of the record header within the NMR experiment file. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_experiment_file.Record_trailer_size _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Record_trailer_size' _Item.ID 1711 _Item.Name '_NMR_experiment_file.Record_trailer_size' _Item.Description ; Size in bytes of the record trailer within the NMR experiment file. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_experiment_file.Compression_algorithm _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Compression_algorithm' _Item.ID 1712 _Item.Name '_NMR_experiment_file.Compression_algorithm' _Item.Description ; Algorithm used to compress the NMR experiment file. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'line' save_ save__NMR_experiment_file.Details _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Details' _Item.ID 1713 _Item.Name '_NMR_experiment_file.Details' _Item.Description ; Additional information regarding the time-domain (raw) data file for this NMR experiment. ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code no _Item.Type_code 'text' save_ save__NMR_experiment_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Sf_ID' _Item.ID 1714 _Item.Name '_NMR_experiment_file.Sf_ID' _Item.Description ; Pointer to '_NMR_spec_expt.Sf_ID' ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_experiment_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.Entry_ID' _Item.ID 1715 _Item.Name '_NMR_experiment_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_experiment_file.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_file.NMR_spec_expt_ID' _Item.ID 1716 _Item.Name '_NMR_experiment_file.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 144 _Item.Category_label $NMR_experiment_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_acq_param _Category.Sf_category category_description _Category.Sf_framecode Spectral_acq_param _Category.ID 145 _Category.Name 'Spectral_acq_param' _category.Description ; Items in the spectra_acq_param category define the acquisition parameters used in collecting the data in an NMR experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1717 $_Spectral_acq_param.ID '_Spectral_acq_param.ID' 1726 $_Spectral_acq_param.Entry_ID '_Spectral_acq_param.Entry_ID' 1727 $_Spectral_acq_param.NMR_spec_expt_ID '_Spectral_acq_param.NMR_spec_expt_ID' 145 NMR-STAR stop_ save_ save__Spectral_acq_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.ID' _Item.ID 1717 _Item.Name '_Spectral_acq_param.ID' _Item.Description ; A value that uniquely identifies the NMR spectral acquisition parameter in the list. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_acq_param.Acquisition_dimension_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Acquisition_dimension_ID' _Item.ID 1718 _Item.Name '_Spectral_acq_param.Acquisition_dimension_ID' _Item.Description ; A value that uniquely identifies the NMR spectral acquisition dimension in the list. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_acq_param.Spectral_dim _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Spectral_dim' _Item.ID 1719 _Item.Name '_Spectral_acq_param.Spectral_dim' _Item.Description ; The nucleus of the spectral dimension where the parameter value is applied. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_acq_param.Name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Name' _Item.ID 1720 _Item.Name '_Spectral_acq_param.Name' _Item.Description ; For a specified acquisition dimension the type of nucleus and its isotope detected in the experiment. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_acq_param.Name' 'spectrometer carrier frequency' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'spectrometer offset frequency' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'acquisition time' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'mixing time' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'spectral width' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'spectral folding' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'data point number' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'data point type' ? 1720 145 NMR-STAR '_Spectral_acq_param.Name' 'data point spacing' ? 1720 145 NMR-STAR stop_ save_ save__Spectral_acq_param.Val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Val' _Item.ID 1721 _Item.Name '_Spectral_acq_param.Val' _Item.Description ; Value for the NMR spectral acquisition parameter. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_acq_param.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Val_err' _Item.ID 1722 _Item.Name '_Spectral_acq_param.Val_err' _Item.Description ; The error in the reported spectral acquisition parameter value. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_acq_param.Val_range _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Val_range' _Item.ID 1723 _Item.Name '_Spectral_acq_param.Val_range' _Item.Description ; The reported value range used for the spectral acquisition parameter. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_acq_param.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Val_units' _Item.ID 1724 _Item.Name '_Spectral_acq_param.Val_units' _Item.Description ; The unit description that applies to the reported parameter value. ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_acq_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Sf_ID' _Item.ID 1725 _Item.Name '_Spectral_acq_param.Sf_ID' _Item.Description ; Pointer to '_NMR_spec_expt.Sf_ID' ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_acq_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.Entry_ID' _Item.ID 1726 _Item.Name '_Spectral_acq_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_acq_param.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_acq_param.NMR_spec_expt_ID' _Item.ID 1727 _Item.Name '_Spectral_acq_param.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 145 _Item.Category_label $Spectral_acq_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Recoupling_pulse_sequence _Category.Sf_category category_description _Category.Sf_framecode Recoupling_pulse_sequence _Category.ID 146 _Category.Name 'Recoupling_pulse_sequence' _category.Description ; Items in the recoupling_pulse_sequence category define the parameters of a solid-state NMR pulse sequence used to recouple the magnetization between nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1728 $_Recoupling_pulse_sequence.Name '_Recoupling_pulse_sequence.Name' 1731 $_Recoupling_pulse_sequence.Time_period '_Recoupling_pulse_sequence.Time_period' 1733 $_Recoupling_pulse_sequence.Entry_ID '_Recoupling_pulse_sequence.Entry_ID' 1734 $_Recoupling_pulse_sequence.NMR_spec_expt_ID '_Recoupling_pulse_sequence.NMR_spec_expt_ID' 146 NMR-STAR stop_ save_ save__Recoupling_pulse_sequence.Name _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.Name' _Item.ID 1728 _Item.Name '_Recoupling_pulse_sequence.Name' _Item.Description ; Name for a solid-state recoupling pulse sequence. ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Recoupling_pulse_sequence.Type _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.Type' _Item.ID 1729 _Item.Name '_Recoupling_pulse_sequence.Type' _Item.Description ; Type of recoupling pulse sequence (homonuclear or heteronuclear). ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Recoupling_pulse_sequence.Nucleus _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.Nucleus' _Item.ID 1730 _Item.Name '_Recoupling_pulse_sequence.Nucleus' _Item.Description ; Atomic nucleus targeted by the recoupling pulse sequence. ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Recoupling_pulse_sequence.Time_period _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.Time_period' _Item.ID 1731 _Item.Name '_Recoupling_pulse_sequence.Time_period' _Item.Description ; Specific time period during the full pulse sequence where the recoupling pulse sequence is applied. ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Recoupling_pulse_sequence.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.Sf_ID' _Item.ID 1732 _Item.Name '_Recoupling_pulse_sequence.Sf_ID' _Item.Description ; Pointer to '_NMR_spec_expt.Sf_ID' ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Recoupling_pulse_sequence.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.Entry_ID' _Item.ID 1733 _Item.Name '_Recoupling_pulse_sequence.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Recoupling_pulse_sequence.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Recoupling_pulse_sequence.NMR_spec_expt_ID' _Item.ID 1734 _Item.Name '_Recoupling_pulse_sequence.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 146 _Item.Category_label $Recoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Decoupling_pulse_sequence _Category.Sf_category category_description _Category.Sf_framecode Decoupling_pulse_sequence _Category.ID 147 _Category.Name 'Decoupling_pulse_sequence' _category.Description ; Items in the decoupling_pulse_sequence category define the parameters of a NMR pulse sequence used to decouple the magnetization between nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1735 $_Decoupling_pulse_sequence.Name '_Decoupling_pulse_sequence.Name' 1736 $_Decoupling_pulse_sequence.Time_period '_Decoupling_pulse_sequence.Time_period' 1738 $_Decoupling_pulse_sequence.Entry_ID '_Decoupling_pulse_sequence.Entry_ID' 1739 $_Decoupling_pulse_sequence.NMR_spec_expt_ID '_Decoupling_pulse_sequence.NMR_spec_expt_ID' 147 NMR-STAR stop_ save_ save__Decoupling_pulse_sequence.Name _Item.Sf_category item_description _Item.Sf_framecode '_Decoupling_pulse_sequence.Name' _Item.ID 1735 _Item.Name '_Decoupling_pulse_sequence.Name' _Item.Description ; Name for a decoupling pulse sequence. ; _Item.Category_ID 147 _Item.Category_label $Decoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Decoupling_pulse_sequence.Time_period _Item.Sf_category item_description _Item.Sf_framecode '_Decoupling_pulse_sequence.Time_period' _Item.ID 1736 _Item.Name '_Decoupling_pulse_sequence.Time_period' _Item.Description ; Specific time period during the full pulse sequence where the decoupling pulse sequence is applied. ; _Item.Category_ID 147 _Item.Category_label $Decoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Decoupling_pulse_sequence.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Decoupling_pulse_sequence.Sf_ID' _Item.ID 1737 _Item.Name '_Decoupling_pulse_sequence.Sf_ID' _Item.Description ; Pointer to '_NMR_spec_expt.Sf_ID' ; _Item.Category_ID 147 _Item.Category_label $Decoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Decoupling_pulse_sequence.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Decoupling_pulse_sequence.Entry_ID' _Item.ID 1738 _Item.Name '_Decoupling_pulse_sequence.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 147 _Item.Category_label $Decoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Decoupling_pulse_sequence.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Decoupling_pulse_sequence.NMR_spec_expt_ID' _Item.ID 1739 _Item.Name '_Decoupling_pulse_sequence.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 147 _Item.Category_label $Decoupling_pulse_sequence _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_experiment_citation _Category.Sf_category category_description _Category.Sf_framecode NMR_experiment_citation _Category.ID 148 _Category.Name 'NMR_experiment_citation' _category.Description ; Items in the NMR_experiment_citation category define pointers to citations described in an entry that provide information about the NMR experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 31 _Category.Category_group_name NMR_spectrometer_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1740 $_NMR_experiment_citation.Citation_ID '_NMR_experiment_citation.Citation_ID' 1743 $_NMR_experiment_citation.Entry_ID '_NMR_experiment_citation.Entry_ID' 1744 $_NMR_experiment_citation.NMR_spec_expt_ID '_NMR_experiment_citation.NMR_spec_expt_ID' 148 NMR-STAR stop_ save_ save__NMR_experiment_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_citation.Citation_ID' _Item.ID 1740 _Item.Name '_NMR_experiment_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 148 _Item.Category_label $NMR_experiment_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_experiment_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_citation.Citation_label' _Item.ID 1741 _Item.Name '_NMR_experiment_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 148 _Item.Category_label $NMR_experiment_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_experiment_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_citation.Sf_ID' _Item.ID 1742 _Item.Name '_NMR_experiment_citation.Sf_ID' _Item.Description ; Pointer to '_NMR_spec_expt.Sf_ID' ; _Item.Category_ID 148 _Item.Category_label $NMR_experiment_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_experiment_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_citation.Entry_ID' _Item.ID 1743 _Item.Name '_NMR_experiment_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 148 _Item.Category_label $NMR_experiment_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_experiment_citation.NMR_spec_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_experiment_citation.NMR_spec_expt_ID' _Item.ID 1744 _Item.Name '_NMR_experiment_citation.NMR_spec_expt_ID' _Item.Description ; Pointer to '_NMR_spec_expt.ID' ; _Item.Category_ID 148 _Item.Category_label $NMR_experiment_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_NMR_spectral_processing _Category.Sf_category category_description _Category.Sf_framecode NMR_spectral_processing _Category.ID 149 _Category.Name 'NMR_spectral_processing' _category.Description ; Items in the NMR_spectral_processing category define the parameters used in converting the time-domain data from an NMR experiment into frequency domain data or other forms of information. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 32 _Category.Category_group_name NMR_spectral_processing _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1747 $_NMR_spectral_processing.Entry_ID '_NMR_spectral_processing.Entry_ID' 1749 $_NMR_spectral_processing.ID '_NMR_spectral_processing.ID' 149 NMR-STAR stop_ save_ save__NMR_spectral_processing.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_processing.Sf_category' _Item.ID 1745 _Item.Name '_NMR_spectral_processing.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 149 _Item.Category_label $NMR_spectral_processing _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectral_processing.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_processing.Sf_framecode' _Item.ID 1746 _Item.Name '_NMR_spectral_processing.Sf_framecode' _Item.Description ; Descriptive label used to uniquely identify this set of NMR spectral processing parameters. ; _Item.Category_ID 149 _Item.Category_label $NMR_spectral_processing _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectral_processing.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_processing.Entry_ID' _Item.ID 1747 _Item.Name '_NMR_spectral_processing.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 149 _Item.Category_label $NMR_spectral_processing _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectral_processing.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_processing.Sf_ID' _Item.ID 1748 _Item.Name '_NMR_spectral_processing.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 149 _Item.Category_label $NMR_spectral_processing _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__NMR_spectral_processing.ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_processing.ID' _Item.ID 1749 _Item.Name '_NMR_spectral_processing.ID' _Item.Description ; A value that uniquely identifies the set of spectral processing from other sets of spectral processing parameters in the entry. ; _Item.Category_ID 149 _Item.Category_label $NMR_spectral_processing _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save_NMR_spectral_proc_software _Category.Sf_category category_description _Category.Sf_framecode NMR_spectral_proc_software _Category.ID 150 _Category.Name 'NMR_spectral_proc_software' _category.Description ; Items in the NMR_spectral_proc_software category provide pointers to software save frames where the software application(s) used to process the spectral data are described. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 32 _Category.Category_group_name NMR_spectral_processing _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1750 $_NMR_spectral_proc_software.Software_ID '_NMR_spectral_proc_software.Software_ID' 1755 $_NMR_spectral_proc_software.Entry_ID '_NMR_spectral_proc_software.Entry_ID' 1756 $_NMR_spectral_proc_software.NMR_spectral_processing_ID '_NMR_spectral_proc_software.NMR_spectral_processing_ID' 150 NMR-STAR stop_ save_ save__NMR_spectral_proc_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.Software_ID' _Item.ID 1750 _Item.Name '_NMR_spectral_proc_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectral_proc_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.Software_label' _Item.ID 1751 _Item.Name '_NMR_spectral_proc_software.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__NMR_spectral_proc_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.Method_ID' _Item.ID 1752 _Item.Name '_NMR_spectral_proc_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__NMR_spectral_proc_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.Method_label' _Item.ID 1753 _Item.Name '_NMR_spectral_proc_software.Method_label' _Item.Description ; Pointer to a save frame of the category method. ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__NMR_spectral_proc_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.Sf_ID' _Item.ID 1754 _Item.Name '_NMR_spectral_proc_software.Sf_ID' _Item.Description ; Pointer to '_NMR_spectral_processing.Sf_ID' ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__NMR_spectral_proc_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.Entry_ID' _Item.ID 1755 _Item.Name '_NMR_spectral_proc_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__NMR_spectral_proc_software.NMR_spectral_processing_ID _Item.Sf_category item_description _Item.Sf_framecode '_NMR_spectral_proc_software.NMR_spectral_processing_ID' _Item.ID 1756 _Item.Name '_NMR_spectral_proc_software.NMR_spectral_processing_ID' _Item.Description ; Pointer to '_NMR_spectral_processing.ID' ; _Item.Category_ID 150 _Item.Category_label $NMR_spectral_proc_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_processing_param _Category.Sf_category category_description _Category.Sf_framecode Spectral_processing_param _Category.ID 151 _Category.Name 'Spectral_processing_param' _category.Description ; Items in the spectral_processing_param category describe the software parameters used in converting the raw spectral data into the fully processed spectrum. ; _Category.Loop_code yes _Category.Category_group_ID 32 _Category.Category_group_name NMR_spectral_processing _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1761 $_Spectral_processing_param.ID '_Spectral_processing_param.ID' 1770 $_Spectral_processing_param.Entry_ID '_Spectral_processing_param.Entry_ID' 1771 $_Spectral_processing_param.NMR_spectral_processing_ID '_Spectral_processing_param.NMR_spectral_processing_ID' 151 NMR-STAR stop_ save_ save__Spectral_processing_param.Operation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Operation_ID' _Item.ID 1757 _Item.Name '_Spectral_processing_param.Operation_ID' _Item.Description ; An integer value that is a unique identifier for the operation within the save frame. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_processing_param.Operation_code _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Operation_code' _Item.ID 1758 _Item.Name '_Spectral_processing_param.Operation_code' _Item.Description ; A code that describes the spectral processing operation. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_processing_param.Operation_ordinal _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Operation_ordinal' _Item.ID 1759 _Item.Name '_Spectral_processing_param.Operation_ordinal' _Item.Description ; An integer value that defines the order in which the operations are carried out. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_processing_param.Previous_operation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Previous_operation_ID' _Item.ID 1760 _Item.Name '_Spectral_processing_param.Previous_operation_ID' _Item.Description ; The operation_ID for the operation carried out immediately prior to the current operation. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_processing_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.ID' _Item.ID 1761 _Item.Name '_Spectral_processing_param.ID' _Item.Description ; A value that uniquely identifies the NMR spectral processing parameter in the list. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_processing_param.Processing_dimension_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Processing_dimension_ID' _Item.ID 1762 _Item.Name '_Spectral_processing_param.Processing_dimension_ID' _Item.Description ; The spectral dimension in which the processing parameter was applied. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_processing_param.Spectral_dim _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Spectral_dim' _Item.ID 1763 _Item.Name '_Spectral_processing_param.Spectral_dim' _Item.Description ; The number of the spectral dimension where the parameter value is applied. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_processing_param.Name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Name' _Item.ID 1764 _Item.Name '_Spectral_processing_param.Name' _Item.Description ; Name for a NMR spectral processing parameter. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_processing_param.Name' 'Exponential factor' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Gaussian factor' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Zero filling' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Lnear prediction' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Processed real points' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Submatrix block size' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Full spectrum width points' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Spectrum offset' ? 1764 151 NMR-STAR '_Spectral_processing_param.Name' 'Data type' ? 1764 151 NMR-STAR stop_ save_ save__Spectral_processing_param.Val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Val' _Item.ID 1765 _Item.Name '_Spectral_processing_param.Val' _Item.Description ; Value for the NMR spectral processing parameter. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_processing_param.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Val_err' _Item.ID 1766 _Item.Name '_Spectral_processing_param.Val_err' _Item.Description ; Error in the reported value for the spectral processing parameter. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_processing_param.Val_range _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Val_range' _Item.ID 1767 _Item.Name '_Spectral_processing_param.Val_range' _Item.Description ; Reported range for the spectral processing parameter. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_processing_param.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Val_units' _Item.ID 1768 _Item.Name '_Spectral_processing_param.Val_units' _Item.Description ; The units for the paramerter value. ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_processing_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Sf_ID' _Item.ID 1769 _Item.Name '_Spectral_processing_param.Sf_ID' _Item.Description ; Pointer to '_NMR_spectral_processing.Sf_ID' ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_processing_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.Entry_ID' _Item.ID 1770 _Item.Name '_Spectral_processing_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_processing_param.NMR_spectral_processing_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_processing_param.NMR_spectral_processing_ID' _Item.ID 1771 _Item.Name '_Spectral_processing_param.NMR_spectral_processing_ID' _Item.Description ; Pointer to '_NMR_spectral_processing.ID' ; _Item.Category_ID 151 _Item.Category_label $Spectral_processing_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_expt _Category.Sf_category category_description _Category.Sf_framecode MS_expt _Category.ID 152 _Category.Name 'MS_expt' _category.Description ; Items in the MS_expt category provide detailed information on a mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 34 _Category.Category_group_name MS_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1774 $_MS_expt.Entry_ID '_MS_expt.Entry_ID' 1776 $_MS_expt.ID '_MS_expt.ID' 152 NMR-STAR stop_ save_ save__MS_expt.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Sf_category' _Item.ID 1772 _Item.Name '_MS_expt.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_expt.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Sf_framecode' _Item.ID 1773 _Item.Name '_MS_expt.Sf_framecode' _Item.Description ; A label that uniquely identifies the mass spec experiment from other mass spec experiments listed in the entry. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MS_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Entry_ID' _Item.ID 1774 _Item.Name '_MS_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Sf_ID' _Item.ID 1775 _Item.Name '_MS_expt.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MS_expt.ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.ID' _Item.ID 1776 _Item.Name '_MS_expt.ID' _Item.Description ; Unique identifier for each experiment listed. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MS_expt.Name _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Name' _Item.ID 1777 _Item.Name '_MS_expt.Name' _Item.Description ; Name for the mass spec experiment. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__MS_expt.Mass_spec_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Mass_spec_ID' _Item.ID 1778 _Item.Name '_MS_expt.Mass_spec_ID' _Item.Description ; Pointer to '_Mass_spec.ID' ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_expt.Mass_spec_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Mass_spec_label' _Item.ID 1779 _Item.Name '_MS_expt.Mass_spec_label' _Item.Description ; Pointer to a save frame of the category mass_spectrometer. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MS_expt.Spectrum_type _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt.Spectrum_type' _Item.ID 1780 _Item.Name '_MS_expt.Spectrum_type' _Item.Description ; The type of spectrum produced by the mass spectrometer. ; _Item.Category_ID 152 _Item.Category_label $MS_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_MS_expt.Spectrum_type' 'single scan' ? 1780 152 NMR-STAR '_MS_expt.Spectrum_type' composite ? 1780 152 NMR-STAR '_MS_expt.Spectrum_type' ramp ? 1780 152 NMR-STAR stop_ save_ save_MS_expt_param _Category.Sf_category category_description _Category.Sf_framecode MS_expt_param _Category.ID 153 _Category.Name 'MS_expt_param' _category.Description ; Items in the MS_expt_param category capture details about the parameters used to carry out a mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 34 _Category.Category_group_name MS_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1781 $_MS_expt_param.ID '_MS_expt_param.ID' 1787 $_MS_expt_param.Entry_ID '_MS_expt_param.Entry_ID' 1788 $_MS_expt_param.MS_expt_ID '_MS_expt_param.MS_expt_ID' 153 NMR-STAR stop_ save_ save__MS_expt_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.ID' _Item.ID 1781 _Item.Name '_MS_expt_param.ID' _Item.Description ; An integer value that uniquely identifies a parameter in the list. ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_expt_param.Type _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.Type' _Item.ID 1782 _Item.Name '_MS_expt_param.Type' _Item.Description ; The type of parameter specified (acquisition or processing). ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MS_expt_param.Name _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.Name' _Item.ID 1783 _Item.Name '_MS_expt_param.Name' _Item.Description ; The name given to the parameter. ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_MS_expt_param.Name' 'ion mode' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'flow rate' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'flow rate units' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'collision energy' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'collision energy units' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'fragmentation method' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'ionization method' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'detection method' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'mass range minimum' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'mass range maximum' ? 1783 153 NMR-STAR '_MS_expt_param.Name' 'mass reference introduction method' ? 1783 153 NMR-STAR stop_ save_ save__MS_expt_param.Value _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.Value' _Item.ID 1784 _Item.Name '_MS_expt_param.Value' _Item.Description ; The value given to the parameter. ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MS_expt_param.Value_err _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.Value_err' _Item.ID 1785 _Item.Name '_MS_expt_param.Value_err' _Item.Description ; The error reported for the parameter if appropriate. ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MS_expt_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.Sf_ID' _Item.ID 1786 _Item.Name '_MS_expt_param.Sf_ID' _Item.Description ; Pointer to '_MS_expt.Sf_ID' ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_expt_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.Entry_ID' _Item.ID 1787 _Item.Name '_MS_expt_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_expt_param.MS_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_param.MS_expt_ID' _Item.ID 1788 _Item.Name '_MS_expt_param.MS_expt_ID' _Item.Description ; Pointer to '_MS_expt.ID' ; _Item.Category_ID 153 _Item.Category_label $MS_expt_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_expt_software _Category.Sf_category category_description _Category.Sf_framecode MS_expt_software _Category.ID 154 _Category.Name 'MS_expt_software' _category.Description ; Items in the MS_expt_software category provide details on the software used in carring out a mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 34 _Category.Category_group_name MS_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1789 $_MS_expt_software.Software_ID '_MS_expt_software.Software_ID' 1795 $_MS_expt_software.Entry_ID '_MS_expt_software.Entry_ID' 1796 $_MS_expt_software.MS_expt_ID '_MS_expt_software.MS_expt_ID' 154 NMR-STAR stop_ save_ save__MS_expt_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Software_ID' _Item.ID 1789 _Item.Name '_MS_expt_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_expt_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Software_label' _Item.ID 1790 _Item.Name '_MS_expt_software.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MS_expt_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Method_ID' _Item.ID 1791 _Item.Name '_MS_expt_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MS_expt_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Method_label' _Item.ID 1792 _Item.Name '_MS_expt_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MS_expt_software.Details _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Details' _Item.ID 1793 _Item.Name '_MS_expt_software.Details' _Item.Description ; A text description of the experiment. ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code no _Item.Type_code 'text' save_ save__MS_expt_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Sf_ID' _Item.ID 1794 _Item.Name '_MS_expt_software.Sf_ID' _Item.Description ; Pointer to '_MS_expt.Sf_ID' ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_expt_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.Entry_ID' _Item.ID 1795 _Item.Name '_MS_expt_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_expt_software.MS_expt_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_expt_software.MS_expt_ID' _Item.ID 1796 _Item.Name '_MS_expt_software.MS_expt_ID' _Item.Description ; Pointer to '_MS_expt.ID' ; _Item.Category_ID 154 _Item.Category_label $MS_expt_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_FRET_expt _Category.Sf_category category_description _Category.Sf_framecode FRET_expt _Category.ID 155 _Category.Name 'FRET_expt' _category.Description ; Items in the FRET_expt category provide detailed information on a fluorescence resonance energy transfer experiment. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 35 _Category.Category_group_name FRET_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1799 $_FRET_expt.Entry_ID '_FRET_expt.Entry_ID' 1801 $_FRET_expt.ID '_FRET_expt.ID' 155 NMR-STAR stop_ save_ save__FRET_expt.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Sf_category' _Item.ID 1797 _Item.Name '_FRET_expt.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__FRET_expt.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Sf_framecode' _Item.ID 1798 _Item.Name '_FRET_expt.Sf_framecode' _Item.Description ; A label that uniquely identifies the FRET experiment from other FRET experiments listed in the entry. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__FRET_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Entry_ID' _Item.ID 1799 _Item.Name '_FRET_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__FRET_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Sf_ID' _Item.ID 1800 _Item.Name '_FRET_expt.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__FRET_expt.ID _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.ID' _Item.ID 1801 _Item.Name '_FRET_expt.ID' _Item.Description ; Unique identifier for each experiment listed. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__FRET_expt.Name _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Name' _Item.ID 1802 _Item.Name '_FRET_expt.Name' _Item.Description ; Name for the FRET experiment. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__FRET_expt.Sample_volume _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Sample_volume' _Item.ID 1803 _Item.Name '_FRET_expt.Sample_volume' _Item.Description ; The volume of the sample used. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__FRET_expt.Sample_volume_units _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Sample_volume_units' _Item.ID 1804 _Item.Name '_FRET_expt.Sample_volume_units' _Item.Description ; The units of the measure for the volume of the sample. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__FRET_expt.Fluorescence_instrument_ID _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Fluorescence_instrument_ID' _Item.ID 1805 _Item.Name '_FRET_expt.Fluorescence_instrument_ID' _Item.Description ; Pointer to '_Fluorescence_instrument.ID' ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__FRET_expt.Fluorescence_instrument_label _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Fluorescence_instrument_label' _Item.ID 1806 _Item.Name '_FRET_expt.Fluorescence_instrument_label' _Item.Description ; Pointer to a save frame of category 'FRET_instrument'. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__FRET_expt.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Software_ID' _Item.ID 1807 _Item.Name '_FRET_expt.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__FRET_expt.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Software_label' _Item.ID 1808 _Item.Name '_FRET_expt.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__FRET_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Method_ID' _Item.ID 1809 _Item.Name '_FRET_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__FRET_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Method_label' _Item.ID 1810 _Item.Name '_FRET_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__FRET_expt.Details _Item.Sf_category item_description _Item.Sf_framecode '_FRET_expt.Details' _Item.ID 1811 _Item.Name '_FRET_expt.Details' _Item.Description ; A text description of the experiment. ; _Item.Category_ID 155 _Item.Category_label $FRET_expt _Item.Mandatory_code no _Item.Type_code 'text' save_ save_EMR_expt _Category.Sf_category category_description _Category.Sf_framecode EMR_expt _Category.ID 156 _Category.Name 'EMR_expt' _category.Description ; Items in the EMR_expt category provide detailed information on an electron magnetic resonance experiment. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 36 _Category.Category_group_name EMR_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1814 $_EMR_expt.Entry_ID '_EMR_expt.Entry_ID' 1816 $_EMR_expt.ID '_EMR_expt.ID' 156 NMR-STAR stop_ save_ save__EMR_expt.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Sf_category' _Item.ID 1812 _Item.Name '_EMR_expt.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__EMR_expt.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Sf_framecode' _Item.ID 1813 _Item.Name '_EMR_expt.Sf_framecode' _Item.Description ; A label that uniquely identifies the EMR experiment from other EMR experiments listed in the entry. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__EMR_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Entry_ID' _Item.ID 1814 _Item.Name '_EMR_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__EMR_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Sf_ID' _Item.ID 1815 _Item.Name '_EMR_expt.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__EMR_expt.ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.ID' _Item.ID 1816 _Item.Name '_EMR_expt.ID' _Item.Description ; Unique identifier for each experiment listed. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__EMR_expt.Name _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Name' _Item.ID 1817 _Item.Name '_EMR_expt.Name' _Item.Description ; Name for the electron magnetic resonance experiment. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__EMR_expt.Sample_volume _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Sample_volume' _Item.ID 1818 _Item.Name '_EMR_expt.Sample_volume' _Item.Description ; The volume of the sample used. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__EMR_expt.Sample_volume_units _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Sample_volume_units' _Item.ID 1819 _Item.Name '_EMR_expt.Sample_volume_units' _Item.Description ; The units of the measure for the volume of the sample. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_EMR_expt.Sample_volume_units' ml ? 1819 156 NMR-STAR stop_ save_ save__EMR_expt.EMR_instrument_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.EMR_instrument_ID' _Item.ID 1820 _Item.Name '_EMR_expt.EMR_instrument_ID' _Item.Description ; Pointer to '_EMR_instrument.ID' ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__EMR_expt.EMR_instrument_label _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.EMR_instrument_label' _Item.ID 1821 _Item.Name '_EMR_expt.EMR_instrument_label' _Item.Description ; Pointer to a save frame of category 'EMR_instrument'. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__EMR_expt.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Software_ID' _Item.ID 1822 _Item.Name '_EMR_expt.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__EMR_expt.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Software_label' _Item.ID 1823 _Item.Name '_EMR_expt.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__EMR_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Method_ID' _Item.ID 1824 _Item.Name '_EMR_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__EMR_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Method_label' _Item.ID 1825 _Item.Name '_EMR_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__EMR_expt.Details _Item.Sf_category item_description _Item.Sf_framecode '_EMR_expt.Details' _Item.ID 1826 _Item.Name '_EMR_expt.Details' _Item.Description ; A text description of the experiment. ; _Item.Category_ID 156 _Item.Category_label $EMR_expt _Item.Mandatory_code no _Item.Type_code 'text' save_ save_SAXS_expt _Category.Sf_category category_description _Category.Sf_framecode SAXS_expt _Category.ID 157 _Category.Name 'SAXS_expt' _category.Description ; Items in the SAXS_expt category provide detailed information on a small angle X-ray scattering experiment. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 37 _Category.Category_group_name SAXS_expt _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1829 $_SAXS_expt.Entry_ID '_SAXS_expt.Entry_ID' 1831 $_SAXS_expt.ID '_SAXS_expt.ID' 157 NMR-STAR stop_ save_ save__SAXS_expt.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Sf_category' _Item.ID 1827 _Item.Name '_SAXS_expt.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_expt.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Sf_framecode' _Item.ID 1828 _Item.Name '_SAXS_expt.Sf_framecode' _Item.Description ; A label that uniquely identifies the SAXS experiment from other SAXS experiments listed in the entry. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__SAXS_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Entry_ID' _Item.ID 1829 _Item.Name '_SAXS_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Sf_ID' _Item.ID 1830 _Item.Name '_SAXS_expt.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_expt.ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.ID' _Item.ID 1831 _Item.Name '_SAXS_expt.ID' _Item.Description ; Unique identifier for each experiment listed. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__SAXS_expt.Name _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Name' _Item.ID 1832 _Item.Name '_SAXS_expt.Name' _Item.Description ; Name for the SAXS experiment. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__SAXS_expt.Sample_volume _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Sample_volume' _Item.ID 1833 _Item.Name '_SAXS_expt.Sample_volume' _Item.Description ; The volume of the sample used. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'float' save_ save__SAXS_expt.Sample_volume_units _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Sample_volume_units' _Item.ID 1834 _Item.Name '_SAXS_expt.Sample_volume_units' _Item.Description ; The units of the measure for the volume of the sample. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_SAXS_expt.Sample_volume_units' ml ? 1834 157 NMR-STAR stop_ save_ save__SAXS_expt.Xray_instrument_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Xray_instrument_ID' _Item.ID 1835 _Item.Name '_SAXS_expt.Xray_instrument_ID' _Item.Description ; Pointer to '_Xray_instrument.ID' ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__SAXS_expt.Xray_instrument_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Xray_instrument_label' _Item.ID 1836 _Item.Name '_SAXS_expt.Xray_instrument_label' _Item.Description ; Pointer to a save frame of category 'Xray_instrument'. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__SAXS_expt.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Software_ID' _Item.ID 1837 _Item.Name '_SAXS_expt.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__SAXS_expt.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Software_label' _Item.ID 1838 _Item.Name '_SAXS_expt.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__SAXS_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Method_ID' _Item.ID 1839 _Item.Name '_SAXS_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__SAXS_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Method_label' _Item.ID 1840 _Item.Name '_SAXS_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__SAXS_expt.Details _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_expt.Details' _Item.ID 1841 _Item.Name '_SAXS_expt.Details' _Item.Description ; A text description of the experiment. ; _Item.Category_ID 157 _Item.Category_label $SAXS_expt _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Computer _Category.Sf_category category_description _Category.Sf_framecode Computer _Category.ID 158 _Category.Name 'Computer' _category.Description ; Items in the computer category describe a computer. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 38 _Category.Category_group_name computer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1844 $_Computer.Entry_ID '_Computer.Entry_ID' 1846 $_Computer.ID '_Computer.ID' 158 NMR-STAR stop_ save_ save__Computer.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Sf_category' _Item.ID 1842 _Item.Name '_Computer.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Computer.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Sf_framecode' _Item.ID 1843 _Item.Name '_Computer.Sf_framecode' _Item.Description ; A label that uniquely identifies the computer from other computers listed in the entry. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Computer.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Entry_ID' _Item.ID 1844 _Item.Name '_Computer.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Computer.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Sf_ID' _Item.ID 1845 _Item.Name '_Computer.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Computer.ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer.ID' _Item.ID 1846 _Item.Name '_Computer.ID' _Item.Description ; A value that uniquely identifies the computer from other computers listed in the entry. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Computer.Name _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Name' _Item.ID 1847 _Item.Name '_Computer.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Computer.Details _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Details' _Item.ID 1848 _Item.Name '_Computer.Details' _Item.Description ; Text information describing the computer. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Computer.Manufacturer _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Manufacturer' _Item.ID 1849 _Item.Name '_Computer.Manufacturer' _Item.Description ; Name of the company or other entity that built the Computer. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Computer.Model _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Model' _Item.ID 1850 _Item.Name '_Computer.Model' _Item.Description ; The name or acronym used to describe the model of the computer. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Computer.Operating_system _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Operating_system' _Item.ID 1851 _Item.Name '_Computer.Operating_system' _Item.Description ; The operating system used on the computer. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Computer.Operating_system' IRIX ? 1851 158 NMR-STAR '_Computer.Operating_system' UNIX ? 1851 158 NMR-STAR '_Computer.Operating_system' Linux ? 1851 158 NMR-STAR '_Computer.Operating_system' DOS ? 1851 158 NMR-STAR '_Computer.Operating_system' NT ? 1851 158 NMR-STAR '_Computer.Operating_system' 'Windows VISTA' ? 1851 158 NMR-STAR '_Computer.Operating_system' 'Windows 2000' ? 1851 158 NMR-STAR '_Computer.Operating_system' 'Windows XP' ? 1851 158 NMR-STAR stop_ save_ save__Computer.Operating_system_version _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Operating_system_version' _Item.ID 1852 _Item.Name '_Computer.Operating_system_version' _Item.Description ; Version number or code for the computer operating system used. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Computer.Hardware_code _Item.Sf_category item_description _Item.Sf_framecode '_Computer.Hardware_code' _Item.ID 1853 _Item.Name '_Computer.Hardware_code' _Item.Description ; Code assigned to the computer by the manufacturer that uniquely identifies that computer from all others. ; _Item.Category_ID 158 _Item.Category_label $Computer _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Computer_citation _Category.Sf_category category_description _Category.Sf_framecode Computer_citation _Category.ID 159 _Category.Name 'Computer_citation' _category.Description ; Items in the computer_citation category provide pointers to the citation category. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 38 _Category.Category_group_name computer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1854 $_Computer_citation.Citation_ID '_Computer_citation.Citation_ID' 1857 $_Computer_citation.Entry_ID '_Computer_citation.Entry_ID' 1858 $_Computer_citation.Computer_ID '_Computer_citation.Computer_ID' 159 NMR-STAR stop_ save_ save__Computer_citation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer_citation.Citation_ID' _Item.ID 1854 _Item.Name '_Computer_citation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 159 _Item.Category_label $Computer_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Computer_citation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Computer_citation.Citation_label' _Item.ID 1855 _Item.Name '_Computer_citation.Citation_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 159 _Item.Category_label $Computer_citation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Computer_citation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer_citation.Sf_ID' _Item.ID 1856 _Item.Name '_Computer_citation.Sf_ID' _Item.Description ; Pointer to '_Computer.Sf_ID' ; _Item.Category_ID 159 _Item.Category_label $Computer_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Computer_citation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer_citation.Entry_ID' _Item.ID 1857 _Item.Name '_Computer_citation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 159 _Item.Category_label $Computer_citation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Computer_citation.Computer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computer_citation.Computer_ID' _Item.ID 1858 _Item.Name '_Computer_citation.Computer_ID' _Item.Description ; Pointer to '_Computer.ID' ; _Item.Category_ID 159 _Item.Category_label $Computer_citation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Computing_platform _Category.Sf_category category_description _Category.Sf_framecode Computing_platform _Category.ID 160 _Category.Name 'Computing_platform' _category.Description ; Items in the computing_platform describe a computing platform such as cluster used for processing data. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 39 _Category.Category_group_name computing_platform _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1861 $_Computing_platform.Entry_ID '_Computing_platform.Entry_ID' 1863 $_Computing_platform.ID '_Computing_platform.ID' 160 NMR-STAR stop_ save_ save__Computing_platform.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Sf_category' _Item.ID 1859 _Item.Name '_Computing_platform.Sf_category' _Item.Description ; A category designation assigned to the save frame on the basis of the information content. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Computing_platform.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Sf_framecode' _Item.ID 1860 _Item.Name '_Computing_platform.Sf_framecode' _Item.Description ; A label that uniquely identifies the computing platform save frame from other computing platform save frames in the entry and all other save frames in the entry. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Computing_platform.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Entry_ID' _Item.ID 1861 _Item.Name '_Computing_platform.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Computing_platform.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Sf_ID' _Item.ID 1862 _Item.Name '_Computing_platform.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Computing_platform.ID _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.ID' _Item.ID 1863 _Item.Name '_Computing_platform.ID' _Item.Description ; A value that uniquely identifies the computing platform save frame from other computing platform save frames listed in the entry. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Computing_platform.Name _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Name' _Item.ID 1864 _Item.Name '_Computing_platform.Name' _Item.Description ; The name of the computing platform. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Computing_platform.Name' CHTC 'Condor High Through-put Computing' 1864 160 NMR-STAR '_Computing_platform.Name' NMRbox ? 1864 160 NMR-STAR '_Computing_platform.Name' 'Open Science Grid' ? 1864 160 NMR-STAR stop_ save_ save__Computing_platform.Reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Reference_ID' _Item.ID 1865 _Item.Name '_Computing_platform.Reference_ID' _Item.Description ; Pointer to '_Reference.ID' ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Computing_platform.Site _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Site' _Item.ID 1866 _Item.Name '_Computing_platform.Site' _Item.Description ; The name of the site where the computing platform is located or hosted. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Computing_platform.Site_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Site_reference_ID' _Item.ID 1867 _Item.Name '_Computing_platform.Site_reference_ID' _Item.Description ; Pointer to '_Reference.ID' ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Computing_platform.Details _Item.Sf_category item_description _Item.Sf_framecode '_Computing_platform.Details' _Item.ID 1868 _Item.Name '_Computing_platform.Details' _Item.Description ; Additional information about the listed computing platform. ; _Item.Category_ID 160 _Item.Category_label $Computing_platform _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Chem_shift_reference _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_reference _Category.ID 161 _Category.Name 'Chem_shift_reference' _category.Description ; Items in the chem_shift_reference category define a set of chemical shift referencing parameters. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 40 _Category.Category_group_name chem_shift_reference _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1871 $_Chem_shift_reference.Entry_ID '_Chem_shift_reference.Entry_ID' 1873 $_Chem_shift_reference.ID '_Chem_shift_reference.ID' 161 NMR-STAR stop_ save_ save__Chem_shift_reference.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Sf_category' _Item.ID 1869 _Item.Name '_Chem_shift_reference.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_reference.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Sf_framecode' _Item.ID 1870 _Item.Name '_Chem_shift_reference.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this list of chemical shift referencing parameters used in reporting assigned chemical shifts and other chemical shift data. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Chem_shift_reference.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Entry_ID' _Item.ID 1871 _Item.Name '_Chem_shift_reference.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_reference.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Sf_ID' _Item.ID 1872 _Item.Name '_Chem_shift_reference.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_reference.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.ID' _Item.ID 1873 _Item.Name '_Chem_shift_reference.ID' _Item.Description ; An integer value that uniquely identifies this save frame of chemical shift reference values from other save frames of this category in an entry. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_reference.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Name' _Item.ID 1874 _Item.Name '_Chem_shift_reference.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_reference.Proton_shifts_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Proton_shifts_flag' _Item.ID 1875 _Item.Name '_Chem_shift_reference.Proton_shifts_flag' _Item.Description ; Please indicate yes or no, if you are depositing 1H chemical shifts. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_reference.Proton_shifts_flag' no ? 1875 161 NMR-STAR '_Chem_shift_reference.Proton_shifts_flag' yes ? 1875 161 NMR-STAR '_Chem_shift_reference.Proton_shifts_flag' 'yes with IUPAC referencing' ? 1875 161 NMR-STAR stop_ save_ save__Chem_shift_reference.Carbon_shifts_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Carbon_shifts_flag' _Item.ID 1876 _Item.Name '_Chem_shift_reference.Carbon_shifts_flag' _Item.Description ; Please indicate yes or no, if you are depositing 13C chemical shifts. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_reference.Carbon_shifts_flag' no ? 1876 161 NMR-STAR '_Chem_shift_reference.Carbon_shifts_flag' yes ? 1876 161 NMR-STAR '_Chem_shift_reference.Carbon_shifts_flag' 'yes with IUPAC referencing' ? 1876 161 NMR-STAR stop_ save_ save__Chem_shift_reference.Nitrogen_shifts_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Nitrogen_shifts_flag' _Item.ID 1877 _Item.Name '_Chem_shift_reference.Nitrogen_shifts_flag' _Item.Description ; Please indicate yes or no, if you are depositing 15N chemical shifts. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_reference.Nitrogen_shifts_flag' no ? 1877 161 NMR-STAR '_Chem_shift_reference.Nitrogen_shifts_flag' yes ? 1877 161 NMR-STAR '_Chem_shift_reference.Nitrogen_shifts_flag' 'yes with IUPAC referencing' ? 1877 161 NMR-STAR stop_ save_ save__Chem_shift_reference.Fluorine_shifts_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Fluorine_shifts_flag' _Item.ID 1878 _Item.Name '_Chem_shift_reference.Fluorine_shifts_flag' _Item.Description ; Please indicate yes or no, if you are depositing 19F chemical shifts. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_reference.Fluorine_shifts_flag' no ? 1878 161 NMR-STAR '_Chem_shift_reference.Fluorine_shifts_flag' yes ? 1878 161 NMR-STAR stop_ save_ save__Chem_shift_reference.Phosphorus_shifts_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Phosphorus_shifts_flag' _Item.ID 1879 _Item.Name '_Chem_shift_reference.Phosphorus_shifts_flag' _Item.Description ; Please indicate yes or no, if you are depositing 31P chemical shifts. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'line' _Item.Default_value '?' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_reference.Phosphorus_shifts_flag' no ? 1879 161 NMR-STAR '_Chem_shift_reference.Phosphorus_shifts_flag' yes ? 1879 161 NMR-STAR '_Chem_shift_reference.Phosphorus_shifts_flag' 'yes with IUPAC referencing' ? 1879 161 NMR-STAR stop_ save_ save__Chem_shift_reference.Other_shifts_flag _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Other_shifts_flag' _Item.ID 1880 _Item.Name '_Chem_shift_reference.Other_shifts_flag' _Item.Description ; If you are depositing chemical shifts for a nuclei other than 1H, 13C, 15N, or 31P, select the 'yes' option otherwise select the 'no' option. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Chem_shift_reference.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_reference.Details' _Item.ID 1881 _Item.Name '_Chem_shift_reference.Details' _Item.Description ; Text providing additional information regarding the reported chemical shift referencing values or methods. ; _Item.Category_ID 161 _Item.Category_label $Chem_shift_reference _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Chem_shift_ref _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_ref _Category.ID 162 _Category.Name 'Chem_shift_ref' _category.Description ; Items in the chem_shift_ref category provide the chemical shift referencing values used in assigning the chemical shift positions for peaks in spectral peak lists and assigned atom chemical shifts. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 40 _Category.Category_group_name chem_shift_reference _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1882 $_Chem_shift_ref.Atom_type '_Chem_shift_ref.Atom_type' 1883 $_Chem_shift_ref.Atom_isotope_number '_Chem_shift_ref.Atom_isotope_number' 1884 $_Chem_shift_ref.Mol_common_name '_Chem_shift_ref.Mol_common_name' 1905 $_Chem_shift_ref.Entry_ID '_Chem_shift_ref.Entry_ID' 1906 $_Chem_shift_ref.Chem_shift_reference_ID '_Chem_shift_ref.Chem_shift_reference_ID' 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Atom_type' _Item.ID 1882 _Item.Name '_Chem_shift_ref.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.Atom_type' H ? 1882 162 NMR-STAR '_Chem_shift_ref.Atom_type' C ? 1882 162 NMR-STAR '_Chem_shift_ref.Atom_type' N ? 1882 162 NMR-STAR '_Chem_shift_ref.Atom_type' F ? 1882 162 NMR-STAR '_Chem_shift_ref.Atom_type' P ? 1882 162 NMR-STAR '_Chem_shift_ref.Atom_type' Cd ? 1882 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Atom_isotope_number' _Item.ID 1883 _Item.Name '_Chem_shift_ref.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_ref.Mol_common_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Mol_common_name' _Item.ID 1884 _Item.Name '_Chem_shift_ref.Mol_common_name' _Item.Description ; Common name or abbreviation used in the literature for the molecule used as a chemical shift reference. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.Mol_common_name' DSS 'H; C; and N methyl protons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TSP 'H; C; and N methyl protons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' water 'H protons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' DMSO 'H methyl protons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' DMSO-d5 'H methyl proton' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' DMSO-d6 'H methyl deuterons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' methanol 'H methyl protons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TMS 'H methyl protons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' acetate 'C methyl carbon' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' dioxane 'C methylene carbons' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'ammonium chloride' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' '[15N] ammonium chloride' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'ammonium hydroxide' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'ammonium nitrate' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' '[15N] ammonium nitrate' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' '[15N, 15N] ammonium nitrate' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'ammonium nitrite' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'ammonium sulfate' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' '[15N] ammonium sulfate' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'liquid anhydrous ammonia' 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' formamide 'N ammonium nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'nitric acid' ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' '[15N] nitric acid' 'N nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' nitromethane 'N nitro group' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' '[15N] nitromethane' 'N nitro group' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' urea 'N nitrogen' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'phosphoric acid' 'P phosphate' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'phosphoric acid (85%)' 'P phosphate' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TMP 'P phosphate' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'cadmium perchlorate' 'Cd cadmium' 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' adamantane ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' DMPC ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' HFIP ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TFA ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TFE ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TFE-d2 ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TMPS ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TMSPA ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TSP-d4 ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' TSPA ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' borate ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' glucose ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' hexamethylbenzene ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'methyl iodide' ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' p-dioxane ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'sodium acetate' ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'sodium phosphate' ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' 'suberic acid bis' ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' trichlorofluoromethane ? 1884 162 NMR-STAR '_Chem_shift_ref.Mol_common_name' na ? 1884 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Atom_group _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Atom_group' _Item.ID 1885 _Item.Name '_Chem_shift_ref.Atom_group' _Item.Description ; Group of atoms within a molecule whose chemical shift was used as the standard chemical shift reference for the defined observed nuclei. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.Atom_group' 'methyl carbon' ? 1885 162 NMR-STAR '_Chem_shift_ref.Atom_group' 'methyl carbons' ? 1885 162 NMR-STAR '_Chem_shift_ref.Atom_group' 'methyl protons' ? 1885 162 NMR-STAR '_Chem_shift_ref.Atom_group' 'methylene protons' ? 1885 162 NMR-STAR '_Chem_shift_ref.Atom_group' nitrogen ? 1885 162 NMR-STAR '_Chem_shift_ref.Atom_group' phosphorus ? 1885 162 NMR-STAR '_Chem_shift_ref.Atom_group' protons ? 1885 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Concentration_val _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Concentration_val' _Item.ID 1886 _Item.Name '_Chem_shift_ref.Concentration_val' _Item.Description ; Concentration of the chemical shift reference compound in the external reference sample. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_ref.Concentration_units _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Concentration_units' _Item.ID 1887 _Item.Name '_Chem_shift_ref.Concentration_units' _Item.Description ; Units for the concentration value for the chemical shift reference compound. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_ref.Solvent _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Solvent' _Item.ID 1888 _Item.Name '_Chem_shift_ref.Solvent' _Item.Description ; Solvent used for the external reference sample. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_ref.Rank _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Rank' _Item.ID 1889 _Item.Name '_Chem_shift_ref.Rank' _Item.Description ; The rank of the chemical shift reference. A primary reference is the one used in reporting the data. A secondary reference would be the compound in the sample or used as an external reference. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_ref.Chem_shift_units _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Chem_shift_units' _Item.ID 1890 _Item.Name '_Chem_shift_ref.Chem_shift_units' _Item.Description ; Units for the chemical shift value assigned to the atoms of the chemical shift reference. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.Chem_shift_units' ppm 'parts per million' 1890 162 NMR-STAR '_Chem_shift_ref.Chem_shift_units' Hz Hertz 1890 162 NMR-STAR '_Chem_shift_ref.Chem_shift_units' MHz 'megahertz' 1890 162 NMR-STAR '_Chem_shift_ref.Chem_shift_units' na 'not available' 1890 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Chem_shift_val' _Item.ID 1891 _Item.Name '_Chem_shift_ref.Chem_shift_val' _Item.Description ; Value assigned to the chemical shift of the reference compound. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Chem_shift_ref.Ref_method _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Ref_method' _Item.ID 1892 _Item.Name '_Chem_shift_ref.Ref_method' _Item.Description ; The chemical shift reference may be either internal (the compound is located in the sample) or external (the compound is in a container external to the sample). ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.Ref_method' internal ? 1892 162 NMR-STAR '_Chem_shift_ref.Ref_method' external ? 1892 162 NMR-STAR '_Chem_shift_ref.Ref_method' na ? 1892 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Ref_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Ref_type' _Item.ID 1893 _Item.Name '_Chem_shift_ref.Ref_type' _Item.Description ; The reference type may be either direct (against a value measured with a chemical compound) or indirect (calculated from chemical shift ratios). ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.Ref_type' direct ? 1893 162 NMR-STAR '_Chem_shift_ref.Ref_type' indirect ? 1893 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Indirect_shift_ratio _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Indirect_shift_ratio' _Item.ID 1894 _Item.Name '_Chem_shift_ref.Indirect_shift_ratio' _Item.Description ; The Chi value used in calculating the chemical shift referencing values for nuclei that are referenced indirectly. The values used should be those recommended by the IUPAC Taskforce on the deposition of data to the public databases (Markley, et al. Pure ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'float' _Item.Default_value '?' save_ save__Chem_shift_ref.External_ref_loc _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.External_ref_loc' _Item.ID 1895 _Item.Name '_Chem_shift_ref.External_ref_loc' _Item.Description ; External chemical shift references are defined as either located within the sample (e.g., as a capillary) or external to the sample and are inserted into the spectrometer before, after, or both before and after the sample containing the molecular system s ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.External_ref_loc' 'insert at center of experimental sample tube' ? 1895 162 NMR-STAR '_Chem_shift_ref.External_ref_loc' 'insert at outer edge of experimental sample tube' ? 1895 162 NMR-STAR '_Chem_shift_ref.External_ref_loc' 'insert at center of a separate sample tube' ? 1895 162 NMR-STAR '_Chem_shift_ref.External_ref_loc' 'insert at outer edge of a separate sample tube' ? 1895 162 NMR-STAR '_Chem_shift_ref.External_ref_loc' 'separate tube (no insert) similar to the experimental sample tube' ? 1895 162 NMR-STAR '_Chem_shift_ref.External_ref_loc' 'separate tube (no insert) not similar to the experimental sample tube' ? 1895 162 NMR-STAR '_Chem_shift_ref.External_ref_loc' other ? 1895 162 NMR-STAR stop_ save_ save__Chem_shift_ref.External_ref_sample_geometry _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.External_ref_sample_geometry' _Item.ID 1896 _Item.Name '_Chem_shift_ref.External_ref_sample_geometry' _Item.Description ; The geometrical shape of the external reference sample. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.External_ref_sample_geometry' cylindrical ? 1896 162 NMR-STAR '_Chem_shift_ref.External_ref_sample_geometry' spherical ? 1896 162 NMR-STAR '_Chem_shift_ref.External_ref_sample_geometry' other ? 1896 162 NMR-STAR stop_ save_ save__Chem_shift_ref.External_ref_axis _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.External_ref_axis' _Item.ID 1897 _Item.Name '_Chem_shift_ref.External_ref_axis' _Item.Description ; The axis of the external chemical shift reference sample relative to the static field (Bo) of the spectrometer. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_ref.External_ref_axis' parallel ? 1897 162 NMR-STAR '_Chem_shift_ref.External_ref_axis' perpendicular ? 1897 162 NMR-STAR '_Chem_shift_ref.External_ref_axis' 'magic angle' ? 1897 162 NMR-STAR '_Chem_shift_ref.External_ref_axis' na ? 1897 162 NMR-STAR stop_ save_ save__Chem_shift_ref.Indirect_shift_ratio_cit_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Indirect_shift_ratio_cit_ID' _Item.ID 1898 _Item.Name '_Chem_shift_ref.Indirect_shift_ratio_cit_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_ref.Indirect_shift_ratio_cit_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Indirect_shift_ratio_cit_label' _Item.ID 1899 _Item.Name '_Chem_shift_ref.Indirect_shift_ratio_cit_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_ref.Ref_correction_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Ref_correction_type' _Item.ID 1900 _Item.Name '_Chem_shift_ref.Ref_correction_type' _Item.Description ; If a correction value is applied to calculate the reported chemical shifts the source of the correction (pH; temperature; etc.). ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_ref.Correction_val _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Correction_val' _Item.ID 1901 _Item.Name '_Chem_shift_ref.Correction_val' _Item.Description ; An uniform correction value that was applied because of an extenuating circumstance such as data collection at an unusual temperature. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_ref.Correction_val_cit_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Correction_val_cit_ID' _Item.ID 1902 _Item.Name '_Chem_shift_ref.Correction_val_cit_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_ref.Correction_val_cit_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Correction_val_cit_label' _Item.ID 1903 _Item.Name '_Chem_shift_ref.Correction_val_cit_label' _Item.Description ; Pointer to a save frame of the category citation. ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_ref.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Sf_ID' _Item.ID 1904 _Item.Name '_Chem_shift_ref.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_reference.Sf_ID' ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_ref.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Entry_ID' _Item.ID 1905 _Item.Name '_Chem_shift_ref.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_ref.Chem_shift_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_ref.Chem_shift_reference_ID' _Item.ID 1906 _Item.Name '_Chem_shift_ref.Chem_shift_reference_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 162 _Item.Category_label $Chem_shift_ref _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assigned_chem_shift_list _Category.Sf_category category_description _Category.Sf_framecode Assigned_chem_shift_list _Category.ID 163 _Category.Name 'Assigned_chem_shift_list' _category.Description ; Items in the assigned_chem_shift_list category provide information about a list of reported assigned chemical shift values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 41 _Category.Category_group_name assigned_chemical_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1909 $_Assigned_chem_shift_list.Entry_ID '_Assigned_chem_shift_list.Entry_ID' 1911 $_Assigned_chem_shift_list.ID '_Assigned_chem_shift_list.ID' 163 NMR-STAR stop_ save_ save__Assigned_chem_shift_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Sf_category' _Item.ID 1907 _Item.Name '_Assigned_chem_shift_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assigned_chem_shift_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Sf_framecode' _Item.ID 1908 _Item.Name '_Assigned_chem_shift_list.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this list of reported assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Assigned_chem_shift_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Entry_ID' _Item.ID 1909 _Item.Name '_Assigned_chem_shift_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assigned_chem_shift_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Sf_ID' _Item.ID 1910 _Item.Name '_Assigned_chem_shift_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assigned_chem_shift_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.ID' _Item.ID 1911 _Item.Name '_Assigned_chem_shift_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of assigned chemical shifts from other save frames of this category in an entry. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Assigned_chem_shift_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Name' _Item.ID 1912 _Item.Name '_Assigned_chem_shift_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_chem_shift_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Data_file_name' _Item.ID 1913 _Item.Name '_Assigned_chem_shift_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_chem_shift_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Sample_condition_list_ID' _Item.ID 1914 _Item.Name '_Assigned_chem_shift_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_chem_shift_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Sample_condition_list_label' _Item.ID 1915 _Item.Name '_Assigned_chem_shift_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of category sample_conditions. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Assigned_chem_shift_list.Chem_shift_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_reference_ID' _Item.ID 1916 _Item.Name '_Assigned_chem_shift_list.Chem_shift_reference_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_chem_shift_list.Chem_shift_reference_label _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_reference_label' _Item.ID 1917 _Item.Name '_Assigned_chem_shift_list.Chem_shift_reference_label' _Item.Description ; Pointer to a save frame of category chem_shift_reference. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Assigned_chem_shift_list.Chem_shift_1H_err _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_1H_err' _Item.ID 1918 _Item.Name '_Assigned_chem_shift_list.Chem_shift_1H_err' _Item.Description ; The value assigned as the error for all 1H chemical shifts reported in the save frame. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_chem_shift_list.Chem_shift_13C_err _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_13C_err' _Item.ID 1919 _Item.Name '_Assigned_chem_shift_list.Chem_shift_13C_err' _Item.Description ; The value assigned as the error for all 13C chemical shifts reported in the save frame. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_chem_shift_list.Chem_shift_15N_err _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_15N_err' _Item.ID 1920 _Item.Name '_Assigned_chem_shift_list.Chem_shift_15N_err' _Item.Description ; The value assigned as the error for all 15N chemical shifts reported in the save frame. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_chem_shift_list.Chem_shift_31P_err _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_31P_err' _Item.ID 1921 _Item.Name '_Assigned_chem_shift_list.Chem_shift_31P_err' _Item.Description ; The value assigned as the error for all 31P chemical shifts reported in the save frame. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_chem_shift_list.Chem_shift_2H_err _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_2H_err' _Item.ID 1922 _Item.Name '_Assigned_chem_shift_list.Chem_shift_2H_err' _Item.Description ; The value assigned as the error for all 2H chemical shifts reported in the save frame. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_chem_shift_list.Chem_shift_19F_err _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Chem_shift_19F_err' _Item.ID 1923 _Item.Name '_Assigned_chem_shift_list.Chem_shift_19F_err' _Item.Description ; The value assigned as the error for all 19F chemical shifts reported in the save frame. The value reported for this tag will be inserted during annotation into the assigned chemical shift error column in the table of assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_chem_shift_list.Error_derivation_method _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Error_derivation_method' _Item.ID 1924 _Item.Name '_Assigned_chem_shift_list.Error_derivation_method' _Item.Description ; Method used to derive the estimated error in the reported chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assigned_chem_shift_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Details' _Item.ID 1925 _Item.Name '_Assigned_chem_shift_list.Details' _Item.Description ; Text describing the reported assigned chemical shifts. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assigned_chem_shift_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Text_data_format' _Item.ID 1926 _Item.Name '_Assigned_chem_shift_list.Text_data_format' _Item.Description ; The name of the data format used to represent the assigned chemical shifts as ASCII text in the 'Assigned_chem_shift_list.Text_data' tag. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_chem_shift_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_chem_shift_list.Text_data' _Item.ID 1927 _Item.Name '_Assigned_chem_shift_list.Text_data' _Item.Description ; A set of assigned chemical shift data in a format as ASCII text. ; _Item.Category_ID 163 _Item.Category_label $Assigned_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Chem_shift_experiment _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_experiment _Category.ID 164 _Category.Name 'Chem_shift_experiment' _category.Description ; Items in the chem_shift_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported assigned chemical shifts. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 41 _Category.Category_group_name assigned_chemical_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1928 $_Chem_shift_experiment.Experiment_ID '_Chem_shift_experiment.Experiment_ID' 1934 $_Chem_shift_experiment.Entry_ID '_Chem_shift_experiment.Entry_ID' 1935 $_Chem_shift_experiment.Assigned_chem_shift_list_ID '_Chem_shift_experiment.Assigned_chem_shift_list_ID' 164 NMR-STAR stop_ save_ save__Chem_shift_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Experiment_ID' _Item.ID 1928 _Item.Name '_Chem_shift_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Experiment_name' _Item.ID 1929 _Item.Name '_Chem_shift_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Sample_ID' _Item.ID 1930 _Item.Name '_Chem_shift_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Sample_label' _Item.ID 1931 _Item.Name '_Chem_shift_experiment.Sample_label' _Item.Description ; Pointer to a save frame of category sample. ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Sample_state' _Item.ID 1932 _Item.Name '_Chem_shift_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_experiment.Sample_state' isotropic ? 1932 164 NMR-STAR '_Chem_shift_experiment.Sample_state' anisotropic ? 1932 164 NMR-STAR stop_ save_ save__Chem_shift_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Sf_ID' _Item.ID 1933 _Item.Name '_Chem_shift_experiment.Sf_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.Sf_ID' ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Entry_ID' _Item.ID 1934 _Item.Name '_Chem_shift_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_experiment.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_experiment.Assigned_chem_shift_list_ID' _Item.ID 1935 _Item.Name '_Chem_shift_experiment.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 164 _Item.Category_label $Chem_shift_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Systematic_chem_shift_offset _Category.Sf_category category_description _Category.Sf_framecode Systematic_chem_shift_offset _Category.ID 165 _Category.Name 'Systematic_chem_shift_offset' _category.Description ; Items in the systematic_chem_shift_offset category define chemical shift offsets that systematically affect all chemical shifts in a set of assigned chemical shifts for specific nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 41 _Category.Category_group_name assigned_chemical_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1936 $_Systematic_chem_shift_offset.Type '_Systematic_chem_shift_offset.Type' 1942 $_Systematic_chem_shift_offset.Entry_ID '_Systematic_chem_shift_offset.Entry_ID' 1943 $_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID' 165 NMR-STAR stop_ save_ save__Systematic_chem_shift_offset.Type _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Type' _Item.ID 1936 _Item.Name '_Systematic_chem_shift_offset.Type' _Item.Description ; The kind of chemical shift offset that should be applied to all chemical shifts observed for a specific type of atom. ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Systematic_chem_shift_offset.Type' 'TROSY offset' ? 1936 165 NMR-STAR '_Systematic_chem_shift_offset.Type' '2H isotope effect' ? 1936 165 NMR-STAR '_Systematic_chem_shift_offset.Type' '13C isotope effect' ? 1936 165 NMR-STAR '_Systematic_chem_shift_offset.Type' '15N isotope effect' ? 1936 165 NMR-STAR '_Systematic_chem_shift_offset.Type' 'SAIL isotope labeling' ? 1936 165 NMR-STAR '_Systematic_chem_shift_offset.Type' 'spectrometer error' ? 1936 165 NMR-STAR '_Systematic_chem_shift_offset.Type' na ? 1936 165 NMR-STAR stop_ save_ save__Systematic_chem_shift_offset.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Atom_type' _Item.ID 1937 _Item.Name '_Systematic_chem_shift_offset.Atom_type' _Item.Description ; The kind of atom to which the chemical shift offset value applies. ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Systematic_chem_shift_offset.Atom_type' 'amide protons' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'amide nitrogens' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all nitrogen bonded protons' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all nitrogens' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all 1H' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all 13C' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all 15N' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all 19F' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'all 31P' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'backbone CA' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' 'backbone CB' ? 1937 165 NMR-STAR '_Systematic_chem_shift_offset.Atom_type' na ? 1937 165 NMR-STAR stop_ save_ save__Systematic_chem_shift_offset.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Atom_isotope_number' _Item.ID 1938 _Item.Name '_Systematic_chem_shift_offset.Atom_isotope_number' _Item.Description ; Mass number for the atom defined by the '.Atom_type' tag with a systematic chemical shift offset. ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Systematic_chem_shift_offset.Val _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Val' _Item.ID 1939 _Item.Name '_Systematic_chem_shift_offset.Val' _Item.Description ; Chemical shift value that has been applied to all of the reported chemical shifts to bring their values in line with values expected to be observed for the chemical shift referencing that was used. ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Systematic_chem_shift_offset.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Val_err' _Item.ID 1940 _Item.Name '_Systematic_chem_shift_offset.Val_err' _Item.Description ; Error in the reported chemical shift offset value used. ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Systematic_chem_shift_offset.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Sf_ID' _Item.ID 1941 _Item.Name '_Systematic_chem_shift_offset.Sf_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.Sf_ID' ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Systematic_chem_shift_offset.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Entry_ID' _Item.ID 1942 _Item.Name '_Systematic_chem_shift_offset.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Systematic_chem_shift_offset.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID' _Item.ID 1943 _Item.Name '_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 165 _Item.Category_label $Systematic_chem_shift_offset _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shift_software _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_software _Category.ID 166 _Category.Name 'Chem_shift_software' _category.Description ; Items in the chem_shift_software category provide pointers to the software category and methods category. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 41 _Category.Category_group_name assigned_chemical_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1944 $_Chem_shift_software.Software_ID '_Chem_shift_software.Software_ID' 1949 $_Chem_shift_software.Entry_ID '_Chem_shift_software.Entry_ID' 1950 $_Chem_shift_software.Assigned_chem_shift_list_ID '_Chem_shift_software.Assigned_chem_shift_list_ID' 166 NMR-STAR stop_ save_ save__Chem_shift_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Software_ID' _Item.ID 1944 _Item.Name '_Chem_shift_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Software_label' _Item.ID 1945 _Item.Name '_Chem_shift_software.Software_label' _Item.Description ; Pointer to a save frame of category software. ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Method_ID' _Item.ID 1946 _Item.Name '_Chem_shift_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Method_label' _Item.ID 1947 _Item.Name '_Chem_shift_software.Method_label' _Item.Description ; Pointer to a save frame of category method. ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Sf_ID' _Item.ID 1948 _Item.Name '_Chem_shift_software.Sf_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.Sf_ID' ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Entry_ID' _Item.ID 1949 _Item.Name '_Chem_shift_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_software.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_software.Assigned_chem_shift_list_ID' _Item.ID 1950 _Item.Name '_Chem_shift_software.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 166 _Item.Category_label $Chem_shift_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Atom_chem_shift _Category.Sf_category category_description _Category.Sf_framecode Atom_chem_shift _Category.ID 167 _Category.Name 'Atom_chem_shift' _category.Description ; Items in the atom_chem_shift category describe the chemical shift values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 41 _Category.Category_group_name assigned_chemical_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1951 $_Atom_chem_shift.ID '_Atom_chem_shift.ID' 1987 $_Atom_chem_shift.Entry_ID '_Atom_chem_shift.Entry_ID' 1988 $_Atom_chem_shift.Assigned_chem_shift_list_ID '_Atom_chem_shift.Assigned_chem_shift_list_ID' 167 NMR-STAR stop_ save_ save__Atom_chem_shift.ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.ID' _Item.ID 1951 _Item.Name '_Atom_chem_shift.ID' _Item.Description ; An integer value that is a unique identifier for the assigned chemical shift value. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom_chem_shift.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Assembly_atom_ID' _Item.ID 1952 _Item.Name '_Atom_chem_shift.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_chem_shift.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Entity_assembly_ID' _Item.ID 1953 _Item.Name '_Atom_chem_shift.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_chem_shift.Entity_assembly_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Entity_assembly_asym_ID' _Item.ID 1954 _Item.Name '_Atom_chem_shift.Entity_assembly_asym_ID' _Item.Description ; Pointer to '_Entity_assembly.Asym_ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Entity_ID' _Item.ID 1955 _Item.Name '_Atom_chem_shift.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_chem_shift.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Comp_index_ID' _Item.ID 1956 _Item.Name '_Atom_chem_shift.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_chem_shift.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Seq_ID' _Item.ID 1957 _Item.Name '_Atom_chem_shift.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_chem_shift.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Comp_ID' _Item.ID 1958 _Item.Name '_Atom_chem_shift.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_chem_shift.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Atom_ID' _Item.ID 1959 _Item.Name '_Atom_chem_shift.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Atom_chem_shift.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Atom_type' _Item.ID 1960 _Item.Name '_Atom_chem_shift.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_chem_shift.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Atom_isotope_number' _Item.ID 1961 _Item.Name '_Atom_chem_shift.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_chem_shift.Val _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Val' _Item.ID 1962 _Item.Name '_Atom_chem_shift.Val' _Item.Description ; Assigned chemical shift value ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Atom_chem_shift.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Val_err' _Item.ID 1963 _Item.Name '_Atom_chem_shift.Val_err' _Item.Description ; Estimated or measured error in the assigned chemical shift value. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_chem_shift.Assign_fig_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Assign_fig_of_merit' _Item.ID 1964 _Item.Name '_Atom_chem_shift.Assign_fig_of_merit' _Item.Description ; Figure of merit for the assignment of the atom to the reported chemical shift value. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_chem_shift.Ambiguity_code _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Ambiguity_code' _Item.ID 1965 _Item.Name '_Atom_chem_shift.Ambiguity_code' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Atom_chem_shift.Ambiguity_code' 1 ? 1965 167 NMR-STAR '_Atom_chem_shift.Ambiguity_code' 2 ? 1965 167 NMR-STAR '_Atom_chem_shift.Ambiguity_code' 3 ? 1965 167 NMR-STAR '_Atom_chem_shift.Ambiguity_code' 4 ? 1965 167 NMR-STAR '_Atom_chem_shift.Ambiguity_code' 5 ? 1965 167 NMR-STAR '_Atom_chem_shift.Ambiguity_code' 6 ? 1965 167 NMR-STAR '_Atom_chem_shift.Ambiguity_code' 9 ? 1965 167 NMR-STAR stop_ save_ save__Atom_chem_shift.Ambiguity_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Ambiguity_set_ID' _Item.ID 1966 _Item.Name '_Atom_chem_shift.Ambiguity_set_ID' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_chem_shift.Occupancy _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Occupancy' _Item.ID 1967 _Item.Name '_Atom_chem_shift.Occupancy' _Item.Description ; Where multiple chemical shift values are assigned to the same atom, the estimated percent of the molecules with the assigned chemical shift. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Resonance_ID' _Item.ID 1968 _Item.Name '_Atom_chem_shift.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_chem_shift.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Auth_entity_assembly_ID' _Item.ID 1969 _Item.Name '_Atom_chem_shift.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Auth_asym_ID' _Item.ID 1970 _Item.Name '_Atom_chem_shift.Auth_asym_ID' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Auth_seq_ID' _Item.ID 1971 _Item.Name '_Atom_chem_shift.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Auth_comp_ID' _Item.ID 1972 _Item.Name '_Atom_chem_shift.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Auth_atom_ID' _Item.ID 1973 _Item.Name '_Atom_chem_shift.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.PDB_record_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_record_ID' _Item.ID 1974 _Item.Name '_Atom_chem_shift.PDB_record_ID' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.PDB_model_num _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_model_num' _Item.ID 1975 _Item.Name '_Atom_chem_shift.PDB_model_num' _Item.Description ; PDB model number. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_chem_shift.PDB_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_strand_ID' _Item.ID 1976 _Item.Name '_Atom_chem_shift.PDB_strand_ID' _Item.Description ; PDB strand id. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.PDB_ins_code _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_ins_code' _Item.ID 1977 _Item.Name '_Atom_chem_shift.PDB_ins_code' _Item.Description ; PDB insertion code. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.PDB_residue_no _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_residue_no' _Item.ID 1978 _Item.Name '_Atom_chem_shift.PDB_residue_no' _Item.Description ; PDB residue number. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.PDB_residue_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_residue_name' _Item.ID 1979 _Item.Name '_Atom_chem_shift.PDB_residue_name' _Item.Description ; PDB residue name. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.PDB_atom_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.PDB_atom_name' _Item.ID 1980 _Item.Name '_Atom_chem_shift.PDB_atom_name' _Item.Description ; PDB atom name. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Original_PDB_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Original_PDB_strand_ID' _Item.ID 1981 _Item.Name '_Atom_chem_shift.Original_PDB_strand_ID' _Item.Description ; PDB strand id. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Original_PDB_residue_no _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Original_PDB_residue_no' _Item.ID 1982 _Item.Name '_Atom_chem_shift.Original_PDB_residue_no' _Item.Description ; PDB residue number. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Original_PDB_residue_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Original_PDB_residue_name' _Item.ID 1983 _Item.Name '_Atom_chem_shift.Original_PDB_residue_name' _Item.Description ; PDB residue name. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Original_PDB_atom_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Original_PDB_atom_name' _Item.ID 1984 _Item.Name '_Atom_chem_shift.Original_PDB_atom_name' _Item.Description ; PDB atom name. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_chem_shift.Details _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Details' _Item.ID 1985 _Item.Name '_Atom_chem_shift.Details' _Item.Description ; Text information regarding the chemical shift assignment. ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Atom_chem_shift.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Sf_ID' _Item.ID 1986 _Item.Name '_Atom_chem_shift.Sf_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.Sf_ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_chem_shift.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Entry_ID' _Item.ID 1987 _Item.Name '_Atom_chem_shift.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_chem_shift.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_chem_shift.Assigned_chem_shift_list_ID' _Item.ID 1988 _Item.Name '_Atom_chem_shift.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 167 _Item.Category_label $Atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Ambiguous_atom_chem_shift _Category.Sf_category category_description _Category.Sf_framecode Ambiguous_atom_chem_shift _Category.ID 168 _Category.Name 'Ambiguous_atom_chem_shift' _category.Description ; Items in the ambiguous_atom_chem_shift category define how ambiguous assigned chemical shifts from the atom_chem_shift category should be grouped. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 41 _Category.Category_group_name assigned_chemical_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1990 $_Ambiguous_atom_chem_shift.Atom_chem_shift_ID '_Ambiguous_atom_chem_shift.Atom_chem_shift_ID' 1992 $_Ambiguous_atom_chem_shift.Entry_ID '_Ambiguous_atom_chem_shift.Entry_ID' 1993 $_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID '_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID' 168 NMR-STAR stop_ save_ save__Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID' _Item.ID 1989 _Item.Name '_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID' _Item.Description ; An integer value that defines a set of chemical shifts that form a mutually ambiguous group. For ambiguity codes of 4 or 5, various combinations of assigned chemical shifts may form sets where the chemical shift assignments are not specifically known, but ; _Item.Category_ID 168 _Item.Category_label $Ambiguous_atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Item.Sf_category item_description _Item.Sf_framecode '_Ambiguous_atom_chem_shift.Atom_chem_shift_ID' _Item.ID 1990 _Item.Name '_Ambiguous_atom_chem_shift.Atom_chem_shift_ID' _Item.Description ; Pointer to '_Atom_chem_shift.ID' ; _Item.Category_ID 168 _Item.Category_label $Ambiguous_atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Ambiguous_atom_chem_shift.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Ambiguous_atom_chem_shift.Sf_ID' _Item.ID 1991 _Item.Name '_Ambiguous_atom_chem_shift.Sf_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.Sf_ID' ; _Item.Category_ID 168 _Item.Category_label $Ambiguous_atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Ambiguous_atom_chem_shift.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Ambiguous_atom_chem_shift.Entry_ID' _Item.ID 1992 _Item.Name '_Ambiguous_atom_chem_shift.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 168 _Item.Category_label $Ambiguous_atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID' _Item.ID 1993 _Item.Name '_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 168 _Item.Category_label $Ambiguous_atom_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shifts_calc_type _Category.Sf_category category_description _Category.Sf_framecode Chem_shifts_calc_type _Category.ID 169 _Category.Name 'Chem_shifts_calc_type' _category.Description ; Items in the chem_shifts_calc_type category provide information about type of calculation used to derive a set of theoretical chemical shift values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 50 _Category.Category_group_name chem_shifts_calc_type _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 1996 $_Chem_shifts_calc_type.Entry_ID '_Chem_shifts_calc_type.Entry_ID' 1998 $_Chem_shifts_calc_type.ID '_Chem_shifts_calc_type.ID' 169 NMR-STAR stop_ save_ save__Chem_shifts_calc_type.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Sf_category' _Item.ID 1994 _Item.Name '_Chem_shifts_calc_type.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shifts_calc_type.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Sf_framecode' _Item.ID 1995 _Item.Name '_Chem_shifts_calc_type.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chem_shifts_calc_type.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Entry_ID' _Item.ID 1996 _Item.Name '_Chem_shifts_calc_type.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shifts_calc_type.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Sf_ID' _Item.ID 1997 _Item.Name '_Chem_shifts_calc_type.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shifts_calc_type.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.ID' _Item.ID 1998 _Item.Name '_Chem_shifts_calc_type.ID' _Item.Description ; Unique identifier for the type of theoretical chemical shift calculation that was carried out. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shifts_calc_type.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Name' _Item.ID 1999 _Item.Name '_Chem_shifts_calc_type.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shifts_calc_type.Calculation_level _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Calculation_level' _Item.ID 2000 _Item.Name '_Chem_shifts_calc_type.Calculation_level' _Item.Description ; The level of theory applied in calculating theoretical chemical shifts or chemical shift tensors (not shielding tensors). ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shifts_calc_type.Calculation_level' empirical ? 2000 169 NMR-STAR '_Chem_shifts_calc_type.Calculation_level' 'ab initio' ? 2000 169 NMR-STAR '_Chem_shifts_calc_type.Calculation_level' semi-empirical ? 2000 169 NMR-STAR stop_ save_ save__Chem_shifts_calc_type.Quantum_mechanical_method _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Quantum_mechanical_method' _Item.ID 2001 _Item.Name '_Chem_shifts_calc_type.Quantum_mechanical_method' _Item.Description ; The method used to calculate the chemical shifts or chemical shift tensors (not shielding tensors). ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shifts_calc_type.Quantum_mechanical_method' GIAO 'Gauge-Independent Atomic Orbital' 2001 169 NMR-STAR '_Chem_shifts_calc_type.Quantum_mechanical_method' IGLO ? 2001 169 NMR-STAR '_Chem_shifts_calc_type.Quantum_mechanical_method' CSGT 'Continuous Set of Gauge Transformations' 2001 169 NMR-STAR stop_ save_ save__Chem_shifts_calc_type.Quantum_mechanical_theory_level _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Quantum_mechanical_theory_level' _Item.ID 2002 _Item.Name '_Chem_shifts_calc_type.Quantum_mechanical_theory_level' _Item.Description ; The quantum mechanical level of theory used to calculate the chemical shifts or chemical shift tensors (not shielding tensors). ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shifts_calc_type.Quantum_mechanical_theory_level' B3LYP ? 2002 169 NMR-STAR '_Chem_shifts_calc_type.Quantum_mechanical_theory_level' MP2 ? 2002 169 NMR-STAR stop_ save_ save__Chem_shifts_calc_type.Quantum_mechanical_basis_set _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Quantum_mechanical_basis_set' _Item.ID 2003 _Item.Name '_Chem_shifts_calc_type.Quantum_mechanical_basis_set' _Item.Description ; The quantum mechanical basis set used to calculate the theoretical chemical shifts or chemical shift tensors (not shielding tensors). ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shifts_calc_type.Chem_shift_nucleus _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Chem_shift_nucleus' _Item.ID 2004 _Item.Name '_Chem_shifts_calc_type.Chem_shift_nucleus' _Item.Description ; The nucleus for which the chemical shifts were calaculated. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shifts_calc_type.Chem_shift_nucleus' 1H ? 2004 169 NMR-STAR '_Chem_shifts_calc_type.Chem_shift_nucleus' 13C ? 2004 169 NMR-STAR '_Chem_shifts_calc_type.Chem_shift_nucleus' 15N ? 2004 169 NMR-STAR '_Chem_shifts_calc_type.Chem_shift_nucleus' 31P ? 2004 169 NMR-STAR stop_ save_ save__Chem_shifts_calc_type.Modeled_sample_cond_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Modeled_sample_cond_list_ID' _Item.ID 2005 _Item.Name '_Chem_shifts_calc_type.Modeled_sample_cond_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shifts_calc_type.Modeled_sample_cond_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Modeled_sample_cond_list_label' _Item.ID 2006 _Item.Name '_Chem_shifts_calc_type.Modeled_sample_cond_list_label' _Item.Description ; Enter the name (label) given to a set of sample conditions enter above in the 'sample conditions' section of the deposition. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shifts_calc_type.Chem_shift_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Chem_shift_reference_ID' _Item.ID 2007 _Item.Name '_Chem_shifts_calc_type.Chem_shift_reference_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shifts_calc_type.Chem_shift_reference_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Chem_shift_reference_label' _Item.ID 2008 _Item.Name '_Chem_shifts_calc_type.Chem_shift_reference_label' _Item.Description ; Pointer to a save frame of the category 'chemical_shift_reference.' This is the save frame where the chemical shift referencing standards are described. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shifts_calc_type.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_type.Details' _Item.ID 2009 _Item.Name '_Chem_shifts_calc_type.Details' _Item.Description ; A text description of the type of calculation used to generate the theoretical chemical shifts. ; _Item.Category_ID 169 _Item.Category_label $Chem_shifts_calc_type _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Chem_shifts_calc_software _Category.Sf_category category_description _Category.Sf_framecode Chem_shifts_calc_software _Category.ID 170 _Category.Name 'Chem_shifts_calc_software' _category.Description ; Items in the chem_shifts_calc_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 50 _Category.Category_group_name chem_shifts_calc_type _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2010 $_Chem_shifts_calc_software.Software_ID '_Chem_shifts_calc_software.Software_ID' 2015 $_Chem_shifts_calc_software.Entry_ID '_Chem_shifts_calc_software.Entry_ID' 2016 $_Chem_shifts_calc_software.Chem_shifts_calc_type_ID '_Chem_shifts_calc_software.Chem_shifts_calc_type_ID' 170 NMR-STAR stop_ save_ save__Chem_shifts_calc_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Software_ID' _Item.ID 2010 _Item.Name '_Chem_shifts_calc_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shifts_calc_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Software_label' _Item.ID 2011 _Item.Name '_Chem_shifts_calc_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chem_shifts_calc_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Method_ID' _Item.ID 2012 _Item.Name '_Chem_shifts_calc_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shifts_calc_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Method_label' _Item.ID 2013 _Item.Name '_Chem_shifts_calc_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shifts_calc_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Sf_ID' _Item.ID 2014 _Item.Name '_Chem_shifts_calc_software.Sf_ID' _Item.Description ; Pointer to '_Chem_shifts_calc_type.Sf_ID' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shifts_calc_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Entry_ID' _Item.ID 2015 _Item.Name '_Chem_shifts_calc_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shifts_calc_software.Chem_shifts_calc_type_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shifts_calc_software.Chem_shifts_calc_type_ID' _Item.ID 2016 _Item.Name '_Chem_shifts_calc_software.Chem_shifts_calc_type_ID' _Item.Description ; Pointer to '_Chem_shifts_calc_type.ID' ; _Item.Category_ID 170 _Item.Category_label $Chem_shifts_calc_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_chem_shift_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_chem_shift_list _Category.ID 171 _Category.Name 'Theoretical_chem_shift_list' _category.Description ; Items in the theoretical_chem_shift_list category provide information about a list of reported theoretical chemical shift values calculated for one or more molecular entities. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 49 _Category.Category_group_name theoretical_chem_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2019 $_Theoretical_chem_shift_list.Entry_ID '_Theoretical_chem_shift_list.Entry_ID' 2021 $_Theoretical_chem_shift_list.ID '_Theoretical_chem_shift_list.ID' 171 NMR-STAR stop_ save_ save__Theoretical_chem_shift_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Sf_category' _Item.ID 2017 _Item.Name '_Theoretical_chem_shift_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_chem_shift_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Sf_framecode' _Item.ID 2018 _Item.Name '_Theoretical_chem_shift_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_chem_shift_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Entry_ID' _Item.ID 2019 _Item.Name '_Theoretical_chem_shift_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_chem_shift_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Sf_ID' _Item.ID 2020 _Item.Name '_Theoretical_chem_shift_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_chem_shift_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.ID' _Item.ID 2021 _Item.Name '_Theoretical_chem_shift_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of theoretical chemical shift data from other save frames of this category in an entry. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_chem_shift_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Name' _Item.ID 2022 _Item.Name '_Theoretical_chem_shift_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_chem_shift_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Data_file_name' _Item.ID 2023 _Item.Name '_Theoretical_chem_shift_list.Data_file_name' _Item.Description ; Name of the file containing theoretical chemical shift data. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_chem_shift_list.Chem_shifts_calc_type_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shifts_calc_type_ID' _Item.ID 2024 _Item.Name '_Theoretical_chem_shift_list.Chem_shifts_calc_type_ID' _Item.Description ; Pointer to '_Chem_shifts_calc_type.ID' ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_chem_shift_list.Chem_shifts_calc_type_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shifts_calc_type_label' _Item.ID 2025 _Item.Name '_Theoretical_chem_shift_list.Chem_shifts_calc_type_label' _Item.Description ; Pointer to the save frame where the type of calculation carried out is described. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_chem_shift_list.Model_atomic_coordinates_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Model_atomic_coordinates_ID' _Item.ID 2026 _Item.Name '_Theoretical_chem_shift_list.Model_atomic_coordinates_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_chem_shift_list.Model_atomic_coordinates_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Model_atomic_coordinates_label' _Item.ID 2027 _Item.Name '_Theoretical_chem_shift_list.Model_atomic_coordinates_label' _Item.Description ; Pointer to the save frame where the atomic coordinates for the model used to calculate the theoretical chemical shifts are located. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_chem_shift_list.Tensor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Tensor_list_ID' _Item.ID 2028 _Item.Name '_Theoretical_chem_shift_list.Tensor_list_ID' _Item.Description ; Pointer to '_Tensor_list.ID' ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_chem_shift_list.Tensor_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Tensor_list_label' _Item.ID 2029 _Item.Name '_Theoretical_chem_shift_list.Tensor_list_label' _Item.Description ; Pointer to a save frame of category 'tensors.' This is the label assigned by the depositor to the set of tensors. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_chem_shift_list.Fermi_contact_spin_density_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Fermi_contact_spin_density_units' _Item.ID 2030 _Item.Name '_Theoretical_chem_shift_list.Fermi_contact_spin_density_units' _Item.Description ; The units used for the Fermi contact spin density terms. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_chem_shift_list.Chem_shift_1H_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shift_1H_err' _Item.ID 2031 _Item.Name '_Theoretical_chem_shift_list.Chem_shift_1H_err' _Item.Description ; Calculated error in the theoretical chemical shifts reported for 1H. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift_list.Chem_shift_2H_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shift_2H_err' _Item.ID 2032 _Item.Name '_Theoretical_chem_shift_list.Chem_shift_2H_err' _Item.Description ; Calculated error in the theoretical chemical shifts reported for 2H. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift_list.Chem_shift_13C_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shift_13C_err' _Item.ID 2033 _Item.Name '_Theoretical_chem_shift_list.Chem_shift_13C_err' _Item.Description ; Calculated error in the theoretical chemical shifts reported for 13C. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift_list.Chem_shift_15N_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shift_15N_err' _Item.ID 2034 _Item.Name '_Theoretical_chem_shift_list.Chem_shift_15N_err' _Item.Description ; Calculated error in the theoretical chemical shifts reported for 15N. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift_list.Chem_shift_19F_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shift_19F_err' _Item.ID 2035 _Item.Name '_Theoretical_chem_shift_list.Chem_shift_19F_err' _Item.Description ; Calculated error in the theoretical chemical shifts reported for 31P. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift_list.Chem_shift_31P_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Chem_shift_31P_err' _Item.ID 2036 _Item.Name '_Theoretical_chem_shift_list.Chem_shift_31P_err' _Item.Description ; Calculated error in the theoretical chemical shifts reported for 19F. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Details' _Item.ID 2037 _Item.Name '_Theoretical_chem_shift_list.Details' _Item.Description ; Text describing the reported theoretical chemical shifts. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_chem_shift_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Text_data_format' _Item.ID 2038 _Item.Name '_Theoretical_chem_shift_list.Text_data_format' _Item.Description ; The data format used to represent the theoretical chemical shift data as ASCII text in the text block that is the value to the '_Theoretical_chem_shift_list.Text_data' tag. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_chem_shift_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift_list.Text_data' _Item.ID 2039 _Item.Name '_Theoretical_chem_shift_list.Text_data' _Item.Description ; A set of theoretical chemical shift data formatted as ASCII text. ; _Item.Category_ID 171 _Item.Category_label $Theoretical_chem_shift_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_chem_shift _Category.Sf_category category_description _Category.Sf_framecode Theoretical_chem_shift _Category.ID 172 _Category.Name 'Theoretical_chem_shift' _category.Description ; Items in the theoretical_chem_shift category describe the theoretical chemical shift values calculated for specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 49 _Category.Category_group_name theoretical_chem_shifts _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2040 $_Theoretical_chem_shift.ID '_Theoretical_chem_shift.ID' 2059 $_Theoretical_chem_shift.Entry_ID '_Theoretical_chem_shift.Entry_ID' 2060 $_Theoretical_chem_shift.Theoretical_chem_shift_list_ID '_Theoretical_chem_shift.Theoretical_chem_shift_list_ID' 172 NMR-STAR stop_ save_ save__Theoretical_chem_shift.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.ID' _Item.ID 2040 _Item.Name '_Theoretical_chem_shift.ID' _Item.Description ; Unique identifier for the calculated chemical shift value. ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Assembly_atom_ID' _Item.ID 2041 _Item.Name '_Theoretical_chem_shift.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Entity_assembly_ID' _Item.ID 2042 _Item.Name '_Theoretical_chem_shift.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Entity_ID' _Item.ID 2043 _Item.Name '_Theoretical_chem_shift.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Comp_index_ID' _Item.ID 2044 _Item.Name '_Theoretical_chem_shift.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Seq_ID' _Item.ID 2045 _Item.Name '_Theoretical_chem_shift.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Comp_ID' _Item.ID 2046 _Item.Name '_Theoretical_chem_shift.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Atom_ID' _Item.ID 2047 _Item.Name '_Theoretical_chem_shift.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_chem_shift.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Atom_type' _Item.ID 2048 _Item.Name '_Theoretical_chem_shift.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Atom_isotope_number' _Item.ID 2049 _Item.Name '_Theoretical_chem_shift.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Fermi_contact_spin_density _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Fermi_contact_spin_density' _Item.ID 2050 _Item.Name '_Theoretical_chem_shift.Fermi_contact_spin_density' _Item.Description ; Fermi contact spin density ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift.Val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Val' _Item.ID 2051 _Item.Name '_Theoretical_chem_shift.Val' _Item.Description ; Chem shift val ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_chem_shift.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Val_err' _Item.ID 2052 _Item.Name '_Theoretical_chem_shift.Val_err' _Item.Description ; Chem shift val err ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_chem_shift.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Auth_entity_assembly_ID' _Item.ID 2053 _Item.Name '_Theoretical_chem_shift.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Auth_asym_ID' _Item.ID 2054 _Item.Name '_Theoretical_chem_shift.Auth_asym_ID' _Item.Description ; An alternative identifier for Asym_ID provided by the author. ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Auth_seq_ID' _Item.ID 2055 _Item.Name '_Theoretical_chem_shift.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Auth_comp_ID' _Item.ID 2056 _Item.Name '_Theoretical_chem_shift.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Auth_atom_ID' _Item.ID 2057 _Item.Name '_Theoretical_chem_shift.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Sf_ID' _Item.ID 2058 _Item.Name '_Theoretical_chem_shift.Sf_ID' _Item.Description ; Pointer to '_Theoretical_chem_shift_list.Sf_ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_chem_shift.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Entry_ID' _Item.ID 2059 _Item.Name '_Theoretical_chem_shift.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_chem_shift.Theoretical_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_chem_shift.Theoretical_chem_shift_list_ID' _Item.ID 2060 _Item.Name '_Theoretical_chem_shift.Theoretical_chem_shift_list_ID' _Item.Description ; Pointer to '_Theoretical_chem_shift_list.ID' ; _Item.Category_ID 172 _Item.Category_label $Theoretical_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Coupling_constant_list _Category.Sf_category category_description _Category.Sf_framecode Coupling_constant_list _Category.ID 173 _Category.Name 'Coupling_constant_list' _category.Description ; Items in the coupling_constant_list category provide information about a list of reported scalar coupling constant values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 42 _Category.Category_group_name coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2063 $_Coupling_constant_list.Entry_ID '_Coupling_constant_list.Entry_ID' 2065 $_Coupling_constant_list.ID '_Coupling_constant_list.ID' 173 NMR-STAR stop_ save_ save__Coupling_constant_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Sf_category' _Item.ID 2061 _Item.Name '_Coupling_constant_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Sf_framecode' _Item.ID 2062 _Item.Name '_Coupling_constant_list.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this list of reported coupling constants.. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Coupling_constant_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Entry_ID' _Item.ID 2063 _Item.Name '_Coupling_constant_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Sf_ID' _Item.ID 2064 _Item.Name '_Coupling_constant_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Coupling_constant_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.ID' _Item.ID 2065 _Item.Name '_Coupling_constant_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of scalar coupling constant values from other save frames of this category in an entry. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Coupling_constant_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Name' _Item.ID 2066 _Item.Name '_Coupling_constant_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Coupling_constant_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Data_file_name' _Item.ID 2067 _Item.Name '_Coupling_constant_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Coupling_constant_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Sample_condition_list_ID' _Item.ID 2068 _Item.Name '_Coupling_constant_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Sample_condition_list_label' _Item.ID 2069 _Item.Name '_Coupling_constant_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category sample_conditions. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Coupling_constant_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Spectrometer_frequency_1H' _Item.ID 2070 _Item.Name '_Coupling_constant_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'float' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Coupling_constant_list.Spectrometer_frequency_1H' 400 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 500 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 600 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 700 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 750 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 800 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 850 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 900 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 920 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 950 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 1000 ? 2070 173 NMR-STAR '_Coupling_constant_list.Spectrometer_frequency_1H' 1100 ? 2070 173 NMR-STAR stop_ save_ save__Coupling_constant_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Details' _Item.ID 2071 _Item.Name '_Coupling_constant_list.Details' _Item.Description ; Text describing the reported coupling constants. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Coupling_constant_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Text_data_format' _Item.ID 2072 _Item.Name '_Coupling_constant_list.Text_data_format' _Item.Description ; The data format used to represent the coupling constant data as ASCII text in the text block that is the value to the '_Coupling_constant_list.Text_data' tag. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Coupling_constant_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_list.Text_data' _Item.ID 2073 _Item.Name '_Coupling_constant_list.Text_data' _Item.Description ; A set of scalar coupling constant data formatted as ASCII text. ; _Item.Category_ID 173 _Item.Category_label $Coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Coupling_constant_experiment _Category.Sf_category category_description _Category.Sf_framecode Coupling_constant_experiment _Category.ID 174 _Category.Name 'Coupling_constant_experiment' _category.Description ; Items in the coupling_constant_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported scalar coupling constants. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 42 _Category.Category_group_name coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2074 $_Coupling_constant_experiment.Experiment_ID '_Coupling_constant_experiment.Experiment_ID' 2080 $_Coupling_constant_experiment.Entry_ID '_Coupling_constant_experiment.Entry_ID' 2081 $_Coupling_constant_experiment.Coupling_constant_list_ID '_Coupling_constant_experiment.Coupling_constant_list_ID' 174 NMR-STAR stop_ save_ save__Coupling_constant_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Experiment_ID' _Item.ID 2074 _Item.Name '_Coupling_constant_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Experiment_name' _Item.ID 2075 _Item.Name '_Coupling_constant_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Coupling_constant_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Sample_ID' _Item.ID 2076 _Item.Name '_Coupling_constant_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Sample_label' _Item.ID 2077 _Item.Name '_Coupling_constant_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category sample. ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Coupling_constant_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Sample_state' _Item.ID 2078 _Item.Name '_Coupling_constant_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Coupling_constant_experiment.Sample_state' isotropic ? 2078 174 NMR-STAR '_Coupling_constant_experiment.Sample_state' anisotropic ? 2078 174 NMR-STAR '_Coupling_constant_experiment.Sample_state' solid ? 2078 174 NMR-STAR stop_ save_ save__Coupling_constant_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Sf_ID' _Item.ID 2079 _Item.Name '_Coupling_constant_experiment.Sf_ID' _Item.Description ; Pointer to '_Coupling_constant_list.Sf_ID' ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Entry_ID' _Item.ID 2080 _Item.Name '_Coupling_constant_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant_experiment.Coupling_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_experiment.Coupling_constant_list_ID' _Item.ID 2081 _Item.Name '_Coupling_constant_experiment.Coupling_constant_list_ID' _Item.Description ; Pointer to '_Coupling_constant_list.ID' ; _Item.Category_ID 174 _Item.Category_label $Coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Coupling_constant_software _Category.Sf_category category_description _Category.Sf_framecode Coupling_constant_software _Category.ID 175 _Category.Name 'Coupling_constant_software' _category.Description ; Items in the coupling_constant_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 42 _Category.Category_group_name coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2082 $_Coupling_constant_software.Software_ID '_Coupling_constant_software.Software_ID' 2087 $_Coupling_constant_software.Entry_ID '_Coupling_constant_software.Entry_ID' 2088 $_Coupling_constant_software.Coupling_constant_list_ID '_Coupling_constant_software.Coupling_constant_list_ID' 175 NMR-STAR stop_ save_ save__Coupling_constant_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Software_ID' _Item.ID 2082 _Item.Name '_Coupling_constant_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Software_label' _Item.ID 2083 _Item.Name '_Coupling_constant_software.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Coupling_constant_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Method_ID' _Item.ID 2084 _Item.Name '_Coupling_constant_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Method_label' _Item.ID 2085 _Item.Name '_Coupling_constant_software.Method_label' _Item.Description ; Pointer to a save frame of the category method. ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Coupling_constant_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Sf_ID' _Item.ID 2086 _Item.Name '_Coupling_constant_software.Sf_ID' _Item.Description ; Pointer to '_Coupling_constant_list.Sf_ID' ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Entry_ID' _Item.ID 2087 _Item.Name '_Coupling_constant_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant_software.Coupling_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant_software.Coupling_constant_list_ID' _Item.ID 2088 _Item.Name '_Coupling_constant_software.Coupling_constant_list_ID' _Item.Description ; Pointer to '_Coupling_constant_list.ID' ; _Item.Category_ID 175 _Item.Category_label $Coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Coupling_constant _Category.Sf_category category_description _Category.Sf_framecode Coupling_constant _Category.ID 176 _Category.Name 'Coupling_constant' _category.Description ; Items in the coupling_constant category describe the scalar coupling constants values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 42 _Category.Category_group_name coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2089 $_Coupling_constant.ID '_Coupling_constant.ID' 2129 $_Coupling_constant.Entry_ID '_Coupling_constant.Entry_ID' 2130 $_Coupling_constant.Coupling_constant_list_ID '_Coupling_constant.Coupling_constant_list_ID' 176 NMR-STAR stop_ save_ save__Coupling_constant.ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.ID' _Item.ID 2089 _Item.Name '_Coupling_constant.ID' _Item.Description ; An integer value that is a unique identifier for the coupling constant value. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant.Code _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Code' _Item.ID 2090 _Item.Name '_Coupling_constant.Code' _Item.Description ; A code that defines the atoms involved in the coupling constant and the number of bonds between the named atoms. The code is generated on the basis of the standard nomenclature for coupling constants used in the NMR community. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Coupling_constant.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Assembly_atom_ID_1' _Item.ID 2091 _Item.Name '_Coupling_constant.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Entity_assembly_ID_1' _Item.ID 2092 _Item.Name '_Coupling_constant.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Entity_ID_1' _Item.ID 2093 _Item.Name '_Coupling_constant.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Comp_index_ID_1' _Item.ID 2094 _Item.Name '_Coupling_constant.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Seq_ID_1' _Item.ID 2095 _Item.Name '_Coupling_constant.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Comp_ID_1' _Item.ID 2096 _Item.Name '_Coupling_constant.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Atom_ID_1' _Item.ID 2097 _Item.Name '_Coupling_constant.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Coupling_constant.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Atom_type_1' _Item.ID 2098 _Item.Name '_Coupling_constant.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Atom_isotope_number_1' _Item.ID 2099 _Item.Name '_Coupling_constant.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Ambiguity_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Ambiguity_code_1' _Item.ID 2100 _Item.Name '_Coupling_constant.Ambiguity_code_1' _Item.Description ; A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal groups like the glycine alpha protons and other methylene groups. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Assembly_atom_ID_2' _Item.ID 2101 _Item.Name '_Coupling_constant.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Entity_assembly_ID_2' _Item.ID 2102 _Item.Name '_Coupling_constant.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Entity_ID_2' _Item.ID 2103 _Item.Name '_Coupling_constant.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Comp_index_ID_2' _Item.ID 2104 _Item.Name '_Coupling_constant.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Seq_ID_2' _Item.ID 2105 _Item.Name '_Coupling_constant.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Comp_ID_2' _Item.ID 2106 _Item.Name '_Coupling_constant.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Atom_ID_2' _Item.ID 2107 _Item.Name '_Coupling_constant.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Coupling_constant.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Atom_type_2' _Item.ID 2108 _Item.Name '_Coupling_constant.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Atom_isotope_number_2' _Item.ID 2109 _Item.Name '_Coupling_constant.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Ambiguity_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Ambiguity_code_2' _Item.ID 2110 _Item.Name '_Coupling_constant.Ambiguity_code_2' _Item.Description ; A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal groups like the glycine alpha protons and other methylene groups. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Val _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Val' _Item.ID 2111 _Item.Name '_Coupling_constant.Val' _Item.Description ; Scalar coupling constant value ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Coupling_constant.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Val_min' _Item.ID 2112 _Item.Name '_Coupling_constant.Val_min' _Item.Description ; Minimum estimated value for a scalar coupling constant when a specific defined value cannot be obtained. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Coupling_constant.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Val_max' _Item.ID 2113 _Item.Name '_Coupling_constant.Val_max' _Item.Description ; Maximum estimated value for a scalar coupling constant when a specific value cannot be obtained. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Coupling_constant.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Val_err' _Item.ID 2114 _Item.Name '_Coupling_constant.Val_err' _Item.Description ; Estimated or measured error in the scalar coupling constant value. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Coupling_constant.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Resonance_ID_1' _Item.ID 2115 _Item.Name '_Coupling_constant.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Resonance_ID_2' _Item.ID 2116 _Item.Name '_Coupling_constant.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Coupling_constant.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_entity_assembly_ID_1' _Item.ID 2117 _Item.Name '_Coupling_constant.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_asym_ID_1' _Item.ID 2118 _Item.Name '_Coupling_constant.Auth_asym_ID_1' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_seq_ID_1' _Item.ID 2119 _Item.Name '_Coupling_constant.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_comp_ID_1' _Item.ID 2120 _Item.Name '_Coupling_constant.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_atom_ID_1' _Item.ID 2121 _Item.Name '_Coupling_constant.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_entity_assembly_ID_2' _Item.ID 2122 _Item.Name '_Coupling_constant.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_asym_ID_2' _Item.ID 2123 _Item.Name '_Coupling_constant.Auth_asym_ID_2' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_seq_ID_2' _Item.ID 2124 _Item.Name '_Coupling_constant.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_comp_ID_2' _Item.ID 2125 _Item.Name '_Coupling_constant.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Auth_atom_ID_2' _Item.ID 2126 _Item.Name '_Coupling_constant.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Coupling_constant.Details _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Details' _Item.ID 2127 _Item.Name '_Coupling_constant.Details' _Item.Description ; Text providing additional information about the reported coupling constants. ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Coupling_constant.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Sf_ID' _Item.ID 2128 _Item.Name '_Coupling_constant.Sf_ID' _Item.Description ; Pointer to '_Coupling_constant_list.Sf_ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Coupling_constant.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Entry_ID' _Item.ID 2129 _Item.Name '_Coupling_constant.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Coupling_constant.Coupling_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Coupling_constant.Coupling_constant_list_ID' _Item.ID 2130 _Item.Name '_Coupling_constant.Coupling_constant_list_ID' _Item.Description ; Pointer to '_Coupling_constant_list.ID' ; _Item.Category_ID 176 _Item.Category_label $Coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_coupling_constant_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_coupling_constant_list _Category.ID 177 _Category.Name 'Theoretical_coupling_constant_list' _category.Description ; Items in the theoretical_coupling_constant_list category provide information about a list of reported theoretical coupling constant values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 43 _Category.Category_group_name theoretical_coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2133 $_Theoretical_coupling_constant_list.Entry_ID '_Theoretical_coupling_constant_list.Entry_ID' 2135 $_Theoretical_coupling_constant_list.ID '_Theoretical_coupling_constant_list.ID' 177 NMR-STAR stop_ save_ save__Theoretical_coupling_constant_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Sf_category' _Item.ID 2131 _Item.Name '_Theoretical_coupling_constant_list.Sf_category' _Item.Description ; Category assigned to the information in the save frame. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Sf_framecode' _Item.ID 2132 _Item.Name '_Theoretical_coupling_constant_list.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this list of reported coupling constants.. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_coupling_constant_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Entry_ID' _Item.ID 2133 _Item.Name '_Theoretical_coupling_constant_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Sf_ID' _Item.ID 2134 _Item.Name '_Theoretical_coupling_constant_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_coupling_constant_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.ID' _Item.ID 2135 _Item.Name '_Theoretical_coupling_constant_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of scalar coupling constant values from other save frames of this category in an entry. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_coupling_constant_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Name' _Item.ID 2136 _Item.Name '_Theoretical_coupling_constant_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_coupling_constant_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Data_file_name' _Item.ID 2137 _Item.Name '_Theoretical_coupling_constant_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_coupling_constant_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Sample_condition_list_ID' _Item.ID 2138 _Item.Name '_Theoretical_coupling_constant_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Sample_condition_list_label' _Item.ID 2139 _Item.Name '_Theoretical_coupling_constant_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category sample_conditions. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_coupling_constant_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' _Item.ID 2140 _Item.Name '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'float' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 400 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 500 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 600 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 700 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 750 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 800 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 850 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 900 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 920 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 950 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 1000 ? 2140 177 NMR-STAR '_Theoretical_coupling_constant_list.Spectrometer_frequency_1H' 1100 ? 2140 177 NMR-STAR stop_ save_ save__Theoretical_coupling_constant_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Details' _Item.ID 2141 _Item.Name '_Theoretical_coupling_constant_list.Details' _Item.Description ; Text describing the reported coupling constants. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_coupling_constant_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Text_data_format' _Item.ID 2142 _Item.Name '_Theoretical_coupling_constant_list.Text_data_format' _Item.Description ; The data format used to represent the coupling constant data as ASCII text in the text block that is the value to the '_Theoretical_coupling_constant_list.Text_data' tag. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_coupling_constant_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_list.Text_data' _Item.ID 2143 _Item.Name '_Theoretical_coupling_constant_list.Text_data' _Item.Description ; A set of scalar coupling constant data formatted as ASCII text. ; _Item.Category_ID 177 _Item.Category_label $Theoretical_coupling_constant_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_coupling_constant_experiment _Category.Sf_category category_description _Category.Sf_framecode Theoretical_coupling_constant_experiment _Category.ID 178 _Category.Name 'Theoretical_coupling_constant_experiment' _category.Description ; Items in the theoretical_coupling_constant_experiment category may provide pointers to the NMR experiments modeled in calculating the theoretical coupling constants. This items may not be used. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 43 _Category.Category_group_name theoretical_coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2144 $_Theoretical_coupling_constant_experiment.Experiment_ID '_Theoretical_coupling_constant_experiment.Experiment_ID' 2150 $_Theoretical_coupling_constant_experiment.Entry_ID '_Theoretical_coupling_constant_experiment.Entry_ID' 2151 $_Theoretical_coupling_constant_experiment.Theoretical_coupling_constant_list_ID '_Theoretical_coupling_constant_experiment.Theoretical_coupling_constant_list_ID' 178 NMR-STAR stop_ save_ save__Theoretical_coupling_constant_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Experiment_ID' _Item.ID 2144 _Item.Name '_Theoretical_coupling_constant_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Experiment_name' _Item.ID 2145 _Item.Name '_Theoretical_coupling_constant_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_coupling_constant_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Sample_ID' _Item.ID 2146 _Item.Name '_Theoretical_coupling_constant_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Sample_label' _Item.ID 2147 _Item.Name '_Theoretical_coupling_constant_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category sample. ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_coupling_constant_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Sample_state' _Item.ID 2148 _Item.Name '_Theoretical_coupling_constant_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_coupling_constant_experiment.Sample_state' isotropic ? 2148 178 NMR-STAR '_Theoretical_coupling_constant_experiment.Sample_state' anisotropic ? 2148 178 NMR-STAR '_Theoretical_coupling_constant_experiment.Sample_state' solid ? 2148 178 NMR-STAR stop_ save_ save__Theoretical_coupling_constant_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Sf_ID' _Item.ID 2149 _Item.Name '_Theoretical_coupling_constant_experiment.Sf_ID' _Item.Description ; Pointer to '_Theoretical_coupling_constant_list.Sf_ID' ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Entry_ID' _Item.ID 2150 _Item.Name '_Theoretical_coupling_constant_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant_experiment.Theoretical_coupling_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_experiment.Theoretical_coupling_constant_list_ID' _Item.ID 2151 _Item.Name '_Theoretical_coupling_constant_experiment.Theoretical_coupling_constant_list_ID' _Item.Description ; Pointer to '_Theoretical_coupling_constant_list.ID' ; _Item.Category_ID 178 _Item.Category_label $Theoretical_coupling_constant_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_coupling_constant_software _Category.Sf_category category_description _Category.Sf_framecode Theoretical_coupling_constant_software _Category.ID 179 _Category.Name 'Theoretical_coupling_constant_software' _category.Description ; Items in the theoretical_coupling_constant_software category provides pointers to the software and methods used to generate the theoretical coupling constants. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 43 _Category.Category_group_name theoretical_coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2152 $_Theoretical_coupling_constant_software.Software_ID '_Theoretical_coupling_constant_software.Software_ID' 2157 $_Theoretical_coupling_constant_software.Entry_ID '_Theoretical_coupling_constant_software.Entry_ID' 2158 $_Theoretical_coupling_constant_software.Theoretical_coupling_constant_list_ID '_Theoretical_coupling_constant_software.Theoretical_coupling_constant_list_ID' 179 NMR-STAR stop_ save_ save__Theoretical_coupling_constant_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Software_ID' _Item.ID 2152 _Item.Name '_Theoretical_coupling_constant_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Software_label' _Item.ID 2153 _Item.Name '_Theoretical_coupling_constant_software.Software_label' _Item.Description ; Pointer to a save frame of the category software. ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_coupling_constant_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Method_ID' _Item.ID 2154 _Item.Name '_Theoretical_coupling_constant_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Method_label' _Item.ID 2155 _Item.Name '_Theoretical_coupling_constant_software.Method_label' _Item.Description ; Pointer to a save frame of the category method. ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_coupling_constant_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Sf_ID' _Item.ID 2156 _Item.Name '_Theoretical_coupling_constant_software.Sf_ID' _Item.Description ; Pointer to '_Theoretical_coupling_constant_list.Sf_ID' ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Entry_ID' _Item.ID 2157 _Item.Name '_Theoretical_coupling_constant_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant_software.Theoretical_coupling_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant_software.Theoretical_coupling_constant_list_ID' _Item.ID 2158 _Item.Name '_Theoretical_coupling_constant_software.Theoretical_coupling_constant_list_ID' _Item.Description ; Pointer to '_Theoretical_coupling_constant_list.ID' ; _Item.Category_ID 179 _Item.Category_label $Theoretical_coupling_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_coupling_constant _Category.Sf_category category_description _Category.Sf_framecode Theoretical_coupling_constant _Category.ID 180 _Category.Name 'Theoretical_coupling_constant' _category.Description ; Items in the theoretical_coupling_constant category describe the theoretical coupling constant values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 43 _Category.Category_group_name theoretical_coupling_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2159 $_Theoretical_coupling_constant.ID '_Theoretical_coupling_constant.ID' 2197 $_Theoretical_coupling_constant.Entry_ID '_Theoretical_coupling_constant.Entry_ID' 2198 $_Theoretical_coupling_constant.Theoretical_coupling_constant_list_ID '_Theoretical_coupling_constant.Theoretical_coupling_constant_list_ID' 180 NMR-STAR stop_ save_ save__Theoretical_coupling_constant.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.ID' _Item.ID 2159 _Item.Name '_Theoretical_coupling_constant.ID' _Item.Description ; An integer value that is a unique identifier for the coupling constant value. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Code _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Code' _Item.ID 2160 _Item.Name '_Theoretical_coupling_constant.Code' _Item.Description ; A code that defines the atoms involved in the coupling constant and the number of bonds between the named atoms. The code is generated on the basis of the standard nomenclature for coupling constants used in the NMR community. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Theoretical_coupling_constant.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Assembly_atom_ID_1' _Item.ID 2161 _Item.Name '_Theoretical_coupling_constant.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Entity_assembly_ID_1' _Item.ID 2162 _Item.Name '_Theoretical_coupling_constant.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Entity_ID_1' _Item.ID 2163 _Item.Name '_Theoretical_coupling_constant.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Comp_index_ID_1' _Item.ID 2164 _Item.Name '_Theoretical_coupling_constant.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Seq_ID_1' _Item.ID 2165 _Item.Name '_Theoretical_coupling_constant.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Comp_ID_1' _Item.ID 2166 _Item.Name '_Theoretical_coupling_constant.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Atom_ID_1' _Item.ID 2167 _Item.Name '_Theoretical_coupling_constant.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_coupling_constant.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Atom_type_1' _Item.ID 2168 _Item.Name '_Theoretical_coupling_constant.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Atom_isotope_number_1' _Item.ID 2169 _Item.Name '_Theoretical_coupling_constant.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Ambiguity_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Ambiguity_code_1' _Item.ID 2170 _Item.Name '_Theoretical_coupling_constant.Ambiguity_code_1' _Item.Description ; A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal groups like the glycine alpha protons and other methylene groups. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Assembly_atom_ID_2' _Item.ID 2171 _Item.Name '_Theoretical_coupling_constant.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Entity_assembly_ID_2' _Item.ID 2172 _Item.Name '_Theoretical_coupling_constant.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Entity_ID_2' _Item.ID 2173 _Item.Name '_Theoretical_coupling_constant.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Comp_index_ID_2' _Item.ID 2174 _Item.Name '_Theoretical_coupling_constant.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Seq_ID_2' _Item.ID 2175 _Item.Name '_Theoretical_coupling_constant.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Comp_ID_2' _Item.ID 2176 _Item.Name '_Theoretical_coupling_constant.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Atom_ID_2' _Item.ID 2177 _Item.Name '_Theoretical_coupling_constant.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_coupling_constant.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Atom_type_2' _Item.ID 2178 _Item.Name '_Theoretical_coupling_constant.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Atom_isotope_number_2' _Item.ID 2179 _Item.Name '_Theoretical_coupling_constant.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Ambiguity_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Ambiguity_code_2' _Item.ID 2180 _Item.Name '_Theoretical_coupling_constant.Ambiguity_code_2' _Item.Description ; A code indicating the presence of ambiguity in the assignment of the atom to the coupling constant value. This type of ambiguity can arise for geminal groups like the glycine alpha protons and other methylene groups. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Val' _Item.ID 2181 _Item.Name '_Theoretical_coupling_constant.Val' _Item.Description ; Scalar coupling constant value ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_coupling_constant.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Val_min' _Item.ID 2182 _Item.Name '_Theoretical_coupling_constant.Val_min' _Item.Description ; Minimum estimated value for a scalar coupling constant when a specific defined value cannot be obtained. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_coupling_constant.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Val_max' _Item.ID 2183 _Item.Name '_Theoretical_coupling_constant.Val_max' _Item.Description ; Maximum estimated value for a scalar coupling constant when a specific value cannot be obtained. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_coupling_constant.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Val_err' _Item.ID 2184 _Item.Name '_Theoretical_coupling_constant.Val_err' _Item.Description ; Estimated or measured error in the scalar coupling constant value. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_coupling_constant.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Resonance_ID_1' _Item.ID 2185 _Item.Name '_Theoretical_coupling_constant.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Resonance_ID_2' _Item.ID 2186 _Item.Name '_Theoretical_coupling_constant.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_entity_assembly_ID_1' _Item.ID 2187 _Item.Name '_Theoretical_coupling_constant.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_seq_ID_1' _Item.ID 2188 _Item.Name '_Theoretical_coupling_constant.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_comp_ID_1' _Item.ID 2189 _Item.Name '_Theoretical_coupling_constant.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_atom_ID_1' _Item.ID 2190 _Item.Name '_Theoretical_coupling_constant.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_entity_assembly_ID_2' _Item.ID 2191 _Item.Name '_Theoretical_coupling_constant.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_seq_ID_2' _Item.ID 2192 _Item.Name '_Theoretical_coupling_constant.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_comp_ID_2' _Item.ID 2193 _Item.Name '_Theoretical_coupling_constant.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Auth_atom_ID_2' _Item.ID 2194 _Item.Name '_Theoretical_coupling_constant.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Details' _Item.ID 2195 _Item.Name '_Theoretical_coupling_constant.Details' _Item.Description ; Text providing additional information about the reported coupling constants. ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_coupling_constant.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Sf_ID' _Item.ID 2196 _Item.Name '_Theoretical_coupling_constant.Sf_ID' _Item.Description ; Pointer to '_Theoretical_coupling_constant_list.Sf_ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_coupling_constant.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Entry_ID' _Item.ID 2197 _Item.Name '_Theoretical_coupling_constant.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_coupling_constant.Theoretical_coupling_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_coupling_constant.Theoretical_coupling_constant_list_ID' _Item.ID 2198 _Item.Name '_Theoretical_coupling_constant.Theoretical_coupling_constant_list_ID' _Item.Description ; Pointer to '_Theoretical_coupling_constant_list.ID' ; _Item.Category_ID 180 _Item.Category_label $Theoretical_coupling_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_peak_list _Category.Sf_category category_description _Category.Sf_framecode Spectral_peak_list _Category.ID 181 _Category.Name 'Spectral_peak_list' _category.Description ; Items in the spectral_peak_list category provide information about a list of reported spectral peak characteristic values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2201 $_Spectral_peak_list.Entry_ID '_Spectral_peak_list.Entry_ID' 2203 $_Spectral_peak_list.ID '_Spectral_peak_list.ID' 181 NMR-STAR stop_ save_ save__Spectral_peak_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sf_category' _Item.ID 2199 _Item.Name '_Spectral_peak_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_peak_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sf_framecode' _Item.ID 2200 _Item.Name '_Spectral_peak_list.Sf_framecode' _Item.Description ; A descriptive label that uniquely identifies this list of spectral peaks. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Spectral_peak_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Entry_ID' _Item.ID 2201 _Item.Name '_Spectral_peak_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_peak_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sf_ID' _Item.ID 2202 _Item.Name '_Spectral_peak_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spectral_peak_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.ID' _Item.ID 2203 _Item.Name '_Spectral_peak_list.ID' _Item.Description ; Spectral peak list ID ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spectral_peak_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Name' _Item.ID 2204 _Item.Name '_Spectral_peak_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_peak_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Data_file_name' _Item.ID 2205 _Item.Name '_Spectral_peak_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_peak_list.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sample_ID' _Item.ID 2206 _Item.Name '_Spectral_peak_list.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_list.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sample_label' _Item.ID 2207 _Item.Name '_Spectral_peak_list.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sample_condition_list_ID' _Item.ID 2208 _Item.Name '_Spectral_peak_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Sample_condition_list_label' _Item.ID 2209 _Item.Name '_Spectral_peak_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the NMR spectrum from which the peak list originated. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_list.Chem_shift_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Chem_shift_reference_ID' _Item.ID 2210 _Item.Name '_Spectral_peak_list.Chem_shift_reference_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_list.Chem_shift_reference_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Chem_shift_reference_label' _Item.ID 2211 _Item.Name '_Spectral_peak_list.Chem_shift_reference_label' _Item.Description ; Pointer to a save frame of category chem_shift_reference. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_list.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Experiment_ID' _Item.ID 2212 _Item.Name '_Spectral_peak_list.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_list.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Experiment_name' _Item.ID 2213 _Item.Name '_Spectral_peak_list.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Spectral_peak_list.Experiment_class _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Experiment_class' _Item.ID 2214 _Item.Name '_Spectral_peak_list.Experiment_class' _Item.Description ; A descriptor for the class of NMR experiment. Something like 'H_H[C].through-space'. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_peak_list.Experiment_class' 'H_H[C].through-space' ? 2214 181 NMR-STAR stop_ save_ save__Spectral_peak_list.Experiment_type _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Experiment_type' _Item.ID 2215 _Item.Name '_Spectral_peak_list.Experiment_type' _Item.Description ; A descriptor for the type of NMR experiment (13C-NOESY-HSQC). ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_peak_list.Experiment_type' 13C-NOESY-HSQC ? 2215 181 NMR-STAR stop_ save_ save__Spectral_peak_list.Number_of_spectral_dimensions _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Number_of_spectral_dimensions' _Item.ID 2216 _Item.Name '_Spectral_peak_list.Number_of_spectral_dimensions' _Item.Description ; Number of dimension in the spectrum from which the peak list was extracted. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_list.Chemical_shift_list _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Chemical_shift_list' _Item.ID 2217 _Item.Name '_Spectral_peak_list.Chemical_shift_list' _Item.Description ; Pointer to a save frame of the category 'Assigned_chem_shift_list'. Included for NEF compatibility. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_list.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Assigned_chem_shift_list_ID' _Item.ID 2218 _Item.Name '_Spectral_peak_list.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_peak_list.Assigned_chem_shift_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Assigned_chem_shift_list_label' _Item.ID 2219 _Item.Name '_Spectral_peak_list.Assigned_chem_shift_list_label' _Item.Description ; Pointer to a save frame of the category 'Assigned_chem_shift_list'. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Details' _Item.ID 2220 _Item.Name '_Spectral_peak_list.Details' _Item.Description ; Text describing the reported list of spectral peaks. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Spectral_peak_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Text_data_format' _Item.ID 2221 _Item.Name '_Spectral_peak_list.Text_data_format' _Item.Description ; The data format used to represent the spectral peak data as ASCII text in the text block that is the value to the '_Spectral_peak_list.Text_data' tag. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_peak_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_list.Text_data' _Item.ID 2222 _Item.Name '_Spectral_peak_list.Text_data' _Item.Description ; A set of spectral peak data formatted as ASCII text. ; _Item.Category_ID 181 _Item.Category_label $Spectral_peak_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Spectral_dim _Category.Sf_category category_description _Category.Sf_framecode Spectral_dim _Category.ID 182 _Category.Name 'Spectral_dim' _category.Description ; Items in the spectral_dim category describe the parameters of each dimension in the NMR experiment used to generate the spectral peak list. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2223 $_Spectral_dim.ID '_Spectral_dim.ID' 2226 $_Spectral_dim.Atom_type '_Spectral_dim.Atom_type' 2228 $_Spectral_dim.Spectral_region '_Spectral_dim.Spectral_region' 2240 $_Spectral_dim.Entry_ID '_Spectral_dim.Entry_ID' 2241 $_Spectral_dim.Spectral_peak_list_ID '_Spectral_dim.Spectral_peak_list_ID' 182 NMR-STAR stop_ save_ save__Spectral_dim.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.ID' _Item.ID 2223 _Item.Name '_Spectral_dim.ID' _Item.Description ; An integer value that specifies the dimension of a multidimensional NMR spectrum. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spectral_dim.Axis_code _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Axis_code' _Item.ID 2224 _Item.Name '_Spectral_dim.Axis_code' _Item.Description ; A code that labels the spectral axis for the defined spectral dimension. Values like F3 or 13C are common. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_dim.Spectrometer_frequency _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Spectrometer_frequency' _Item.ID 2225 _Item.Name '_Spectral_dim.Spectrometer_frequency' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer in the defined spectral dimension used to collect the data. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_dim.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Atom_type' _Item.ID 2226 _Item.Name '_Spectral_dim.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_dim.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Atom_isotope_number' _Item.ID 2227 _Item.Name '_Spectral_dim.Atom_isotope_number' _Item.Description ; The mass number for the specified atom. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_dim.Spectral_region _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Spectral_region' _Item.ID 2228 _Item.Name '_Spectral_dim.Spectral_region' _Item.Description ; A code defining the type of nuclei that would be expected to be observed in the spectral region observed in the dimension of the spectrum. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Spectral_dim.Magnetization_linkage_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Magnetization_linkage_ID' _Item.ID 2229 _Item.Name '_Spectral_dim.Magnetization_linkage_ID' _Item.Description ; The magnetization linkage ID is used to designate dimensions of a multidimensional NMR experiment where the nuclei observed in the dimensions are directly linked by a one bond scalar coupling. For example, the amide proton and amide nitrogen in an 1H-15N ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_dim.Under_sampling_type _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Under_sampling_type' _Item.ID 2230 _Item.Name '_Spectral_dim.Under_sampling_type' _Item.Description ; The type of spectral folding caused by undersampling in the spectral dimension. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_dim.Under_sampling_type' aliased ? 2230 182 NMR-STAR '_Spectral_dim.Under_sampling_type' folded ? 2230 182 NMR-STAR '_Spectral_dim.Under_sampling_type' 'not observed' ? 2230 182 NMR-STAR stop_ save_ save__Spectral_dim.Sweep_width _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Sweep_width' _Item.ID 2231 _Item.Name '_Spectral_dim.Sweep_width' _Item.Description ; The width of the spectral window observed in Hz or ppm. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_dim.Sweep_width_units _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Sweep_width_units' _Item.ID 2232 _Item.Name '_Spectral_dim.Sweep_width_units' _Item.Description ; The units for the sweep width value (Hz or ppm) ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_dim.Sweep_width_units' Hz Hertz 2232 182 NMR-STAR '_Spectral_dim.Sweep_width_units' ppm 'parts per million' 2232 182 NMR-STAR stop_ save_ save__Spectral_dim.Value_first_point _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Value_first_point' _Item.ID 2233 _Item.Name '_Spectral_dim.Value_first_point' _Item.Description ; The value for the first point in the spectral dimension in the units used for defining the sweep width for the spectral dimension. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_dim.Absolute_peak_positions _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Absolute_peak_positions' _Item.ID 2234 _Item.Name '_Spectral_dim.Absolute_peak_positions' _Item.Description ; A flag determining whether peak positions are given as absolute_peak_positions. If yes, peaks are shown at correct unaliased positions whether this is within the acquisition window or not. If no, peaks are shown in the acquisition window, whether this is ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Spectral_dim.Acquisition _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Acquisition' _Item.ID 2235 _Item.Name '_Spectral_dim.Acquisition' _Item.Description ; The spectral dimension that is the one used to acquire the data. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Spectral_dim.Center_frequency_offset _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Center_frequency_offset' _Item.ID 2236 _Item.Name '_Spectral_dim.Center_frequency_offset' _Item.Description ; The frequency offset from the spectrometer base frequency to the center of the spectral dimension. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_dim.Encoding_code _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Encoding_code' _Item.ID 2237 _Item.Name '_Spectral_dim.Encoding_code' _Item.Description ; Code describing how information from one spectral dimension has been encoded in another dimension in for example a reduced dimensionality experiment. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_dim.Encoded_reduced_dimension_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Encoded_reduced_dimension_ID' _Item.ID 2238 _Item.Name '_Spectral_dim.Encoded_reduced_dimension_ID' _Item.Description ; The spectral dimension in a reduced dimensionality experiment that is the source of the magnetization that has been encoded. ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_dim.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Sf_ID' _Item.ID 2239 _Item.Name '_Spectral_dim.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_dim.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Entry_ID' _Item.ID 2240 _Item.Name '_Spectral_dim.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_dim.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim.Spectral_peak_list_ID' _Item.ID 2241 _Item.Name '_Spectral_dim.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 182 _Item.Category_label $Spectral_dim _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_dim_transfer _Category.Sf_category category_description _Category.Sf_framecode Spectral_dim_transfer _Category.ID 183 _Category.Name 'Spectral_dim_transfer' _category.Description ; Items in the spectral_dim_transfer describe the magnetization transfer path in the NMR spectrum that is the source of the peak list in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2242 $_Spectral_dim_transfer.Spectral_dim_ID_1 '_Spectral_dim_transfer.Spectral_dim_ID_1' 2243 $_Spectral_dim_transfer.Spectral_dim_ID_2 '_Spectral_dim_transfer.Spectral_dim_ID_2' 2247 $_Spectral_dim_transfer.Entry_ID '_Spectral_dim_transfer.Entry_ID' 2248 $_Spectral_dim_transfer.Spectral_peak_list_ID '_Spectral_dim_transfer.Spectral_peak_list_ID' 183 NMR-STAR stop_ save_ save__Spectral_dim_transfer.Spectral_dim_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Spectral_dim_ID_1' _Item.ID 2242 _Item.Name '_Spectral_dim_transfer.Spectral_dim_ID_1' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_dim_transfer.Spectral_dim_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Spectral_dim_ID_2' _Item.ID 2243 _Item.Name '_Spectral_dim_transfer.Spectral_dim_ID_2' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_dim_transfer.Indirect _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Indirect' _Item.ID 2244 _Item.Name '_Spectral_dim_transfer.Indirect' _Item.Description ; A boolean code (yes or no) indicating if the magnetization transfer between spectral dimensions is indirect. ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Spectral_dim_transfer.Type _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Type' _Item.ID 2245 _Item.Name '_Spectral_dim_transfer.Type' _Item.Description ; The form of magnetization transfer (through-space, onebond, jcoupling). ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_dim_transfer.Type' onebond 'Any transfer that connects only directly bonded atoms in this experiment' 2245 183 NMR-STAR '_Spectral_dim_transfer.Type' jcoupling 'Transfer via direct J coupling over one or more bonds' 2245 183 NMR-STAR '_Spectral_dim_transfer.Type' jmultibond 'Transfer via direct J coupling over multiple bonds' 2245 183 NMR-STAR '_Spectral_dim_transfer.Type' relayed 'Transfer via multiple successive J coupling steps (TOCSY relay)' 2245 183 NMR-STAR '_Spectral_dim_transfer.Type' relayed-alternate 'Relayed transfer where peaks from an odd resp. even number of transfer steps have opposite sign' 2245 183 NMR-STAR '_Spectral_dim_transfer.Type' through-space 'Any transfer that does not go through the covalent bonded skeleton (NOESY ROESY ... but also J coupling through hydrogen bonds)' 2245 183 NMR-STAR stop_ save_ save__Spectral_dim_transfer.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Sf_ID' _Item.ID 2246 _Item.Name '_Spectral_dim_transfer.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_dim_transfer.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Entry_ID' _Item.ID 2247 _Item.Name '_Spectral_dim_transfer.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_dim_transfer.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_dim_transfer.Spectral_peak_list_ID' _Item.ID 2248 _Item.Name '_Spectral_dim_transfer.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 183 _Item.Category_label $Spectral_dim_transfer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_peak_software _Category.Sf_category category_description _Category.Sf_framecode Spectral_peak_software _Category.ID 184 _Category.Name 'Spectral_peak_software' _category.Description ; Items in the spectral_peak_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2249 $_Spectral_peak_software.Software_ID '_Spectral_peak_software.Software_ID' 2254 $_Spectral_peak_software.Entry_ID '_Spectral_peak_software.Entry_ID' 2255 $_Spectral_peak_software.Spectral_peak_list_ID '_Spectral_peak_software.Spectral_peak_list_ID' 184 NMR-STAR stop_ save_ save__Spectral_peak_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Software_ID' _Item.ID 2249 _Item.Name '_Spectral_peak_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Software_label' _Item.ID 2250 _Item.Name '_Spectral_peak_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Method_ID' _Item.ID 2251 _Item.Name '_Spectral_peak_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_peak_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Method_label' _Item.ID 2252 _Item.Name '_Spectral_peak_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_peak_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Sf_ID' _Item.ID 2253 _Item.Name '_Spectral_peak_software.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_peak_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Entry_ID' _Item.ID 2254 _Item.Name '_Spectral_peak_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_peak_software.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_peak_software.Spectral_peak_list_ID' _Item.ID 2255 _Item.Name '_Spectral_peak_software.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 184 _Item.Category_label $Spectral_peak_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Peak _Category.Sf_category category_description _Category.Sf_framecode Peak _Category.ID 185 _Category.Name 'Peak' _category.Description ; Items in the peak category define the identification code for the peaks in an NMR spectrum and the figure of merit for each peak. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2256 $_Peak.ID '_Peak.ID' 2262 $_Peak.Entry_ID '_Peak.Entry_ID' 2263 $_Peak.Spectral_peak_list_ID '_Peak.Spectral_peak_list_ID' 185 NMR-STAR stop_ save_ save__Peak.ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak.ID' _Item.ID 2256 _Item.Name '_Peak.ID' _Item.Description ; Unique identifier for the spectral peak. ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Peak.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Figure_of_merit' _Item.ID 2257 _Item.Name '_Peak.Figure_of_merit' _Item.Description ; A quantitative or qualitative value that provides a measure of certainty that the peak listed represents a real piece of data. ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak.Type _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Type' _Item.ID 2258 _Item.Name '_Peak.Type' _Item.Description ; A code that describes the scalar coupling characteristics of the peak. ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Peak.Type' s singlet 2258 185 NMR-STAR '_Peak.Type' d doublet 2258 185 NMR-STAR '_Peak.Type' dd 'doublet of doublets' 2258 185 NMR-STAR '_Peak.Type' dt 'doublet of triplets' 2258 185 NMR-STAR '_Peak.Type' t triplet 2258 185 NMR-STAR '_Peak.Type' m multiple 2258 185 NMR-STAR stop_ save_ save__Peak.Restraint _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Restraint' _Item.ID 2259 _Item.Name '_Peak.Restraint' _Item.Description ; Yes or no is this peak related to a constraint used to determine the three dimensional structure of the molecular system. ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Peak.Details _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Details' _Item.ID 2260 _Item.Name '_Peak.Details' _Item.Description ; Text providing additional information regarding the spectral peak. ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Peak.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Sf_ID' _Item.ID 2261 _Item.Name '_Peak.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Entry_ID' _Item.ID 2262 _Item.Name '_Peak.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak.Spectral_peak_list_ID' _Item.ID 2263 _Item.Name '_Peak.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 185 _Item.Category_label $Peak _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Peak_general_char _Category.Sf_category category_description _Category.Sf_framecode Peak_general_char _Category.ID 186 _Category.Name 'Peak_general_char' _category.Description ; Items in the peak_general_char category provide quantitative information about the peak that is not specific to individual dimensions of the spectral data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2264 $_Peak_general_char.Peak_ID '_Peak_general_char.Peak_ID' 2265 $_Peak_general_char.Intensity_val '_Peak_general_char.Intensity_val' 2269 $_Peak_general_char.Entry_ID '_Peak_general_char.Entry_ID' 2270 $_Peak_general_char.Spectral_peak_list_ID '_Peak_general_char.Spectral_peak_list_ID' 186 NMR-STAR stop_ save_ save__Peak_general_char.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Peak_ID' _Item.ID 2264 _Item.Name '_Peak_general_char.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_general_char.Intensity_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Intensity_val' _Item.ID 2265 _Item.Name '_Peak_general_char.Intensity_val' _Item.Description ; Value for the intensity of the peak. ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Peak_general_char.Intensity_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Intensity_val_err' _Item.ID 2266 _Item.Name '_Peak_general_char.Intensity_val_err' _Item.Description ; Error in the value for the intensity of the peak. ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_general_char.Measurement_method _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Measurement_method' _Item.ID 2267 _Item.Name '_Peak_general_char.Measurement_method' _Item.Description ; Method used to determine the intensity value for the peak. ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Peak_general_char.Measurement_method' 'absolute height' ? 2267 186 NMR-STAR '_Peak_general_char.Measurement_method' height ? 2267 186 NMR-STAR '_Peak_general_char.Measurement_method' 'relative height' ? 2267 186 NMR-STAR '_Peak_general_char.Measurement_method' volume ? 2267 186 NMR-STAR '_Peak_general_char.Measurement_method' 'number of contours' ? 2267 186 NMR-STAR '_Peak_general_char.Measurement_method' integration ? 2267 186 NMR-STAR stop_ save_ save__Peak_general_char.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Sf_ID' _Item.ID 2268 _Item.Name '_Peak_general_char.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_general_char.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Entry_ID' _Item.ID 2269 _Item.Name '_Peak_general_char.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_general_char.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_general_char.Spectral_peak_list_ID' _Item.ID 2270 _Item.Name '_Peak_general_char.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 186 _Item.Category_label $Peak_general_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Peak_char _Category.Sf_category category_description _Category.Sf_framecode Peak_char _Category.ID 187 _Category.Name 'Peak_char' _category.Description ; Items in the peak_char category provide quantitative information about the peak that is specific to the dimensions of the spectral data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2271 $_Peak_char.Peak_ID '_Peak_char.Peak_ID' 2272 $_Peak_char.Spectral_dim_ID '_Peak_char.Spectral_dim_ID' 2288 $_Peak_char.Entry_ID '_Peak_char.Entry_ID' 2289 $_Peak_char.Spectral_peak_list_ID '_Peak_char.Spectral_peak_list_ID' 187 NMR-STAR stop_ save_ save__Peak_char.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Peak_ID' _Item.ID 2271 _Item.Name '_Peak_char.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_char.Spectral_dim_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Spectral_dim_ID' _Item.ID 2272 _Item.Name '_Peak_char.Spectral_dim_ID' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_char.Chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Chem_shift_val' _Item.ID 2273 _Item.Name '_Peak_char.Chem_shift_val' _Item.Description ; Chem shift val ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Peak_char.Chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Chem_shift_val_err' _Item.ID 2274 _Item.Name '_Peak_char.Chem_shift_val_err' _Item.Description ; Chem shift val err ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Line_width_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Line_width_val' _Item.ID 2275 _Item.Name '_Peak_char.Line_width_val' _Item.Description ; Line width val ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Line_width_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Line_width_val_err' _Item.ID 2276 _Item.Name '_Peak_char.Line_width_val_err' _Item.Description ; Line width val err ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Phase_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Phase_val' _Item.ID 2277 _Item.Name '_Peak_char.Phase_val' _Item.Description ; Phase val ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_char.Phase_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Phase_val_err' _Item.ID 2278 _Item.Name '_Peak_char.Phase_val_err' _Item.Description ; Phase val err ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Decay_rate_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Decay_rate_val' _Item.ID 2279 _Item.Name '_Peak_char.Decay_rate_val' _Item.Description ; Decay rate val ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Decay_rate_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Decay_rate_val_err' _Item.ID 2280 _Item.Name '_Peak_char.Decay_rate_val_err' _Item.Description ; Decay rate val err ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Coupling_pattern _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Coupling_pattern' _Item.ID 2281 _Item.Name '_Peak_char.Coupling_pattern' _Item.Description ; A code that describes the type of coupling pattern observed for the NMR spectral peak. ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Peak_char.Coupling_pattern' d doublet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' dd 'doublet of doublets' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' ddd 'doublet of doublets of doublets' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' dm 'doublet of multiplets' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' dt 'doublet of triplets' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' hxt hextet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' hpt heptet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' m multiplet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' q quartet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' qd 'quartet of doublets' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' qn quintet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' s singlet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' sxt sextet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' t triplet 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' td 'triplet of doublets' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' LR 'long-range coupling' 2281 187 NMR-STAR '_Peak_char.Coupling_pattern' 1JCH 'one J carbon-proton couplings' 2281 187 NMR-STAR stop_ save_ save__Peak_char.Bounding_box_upper_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Bounding_box_upper_val' _Item.ID 2282 _Item.Name '_Peak_char.Bounding_box_upper_val' _Item.Description ; The upper chemical shift value in the defined spectral dimension for a bounding box used to define the region of the NMR spectrum that contains the observed peak. ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Bounding_box_lower_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Bounding_box_lower_val' _Item.ID 2283 _Item.Name '_Peak_char.Bounding_box_lower_val' _Item.Description ; The upper chemical shift value in the defined spectral dimension for a bounding box used to define the region of the NMR spectrum that contains the observed peak. ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Bounding_box_range_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Bounding_box_range_val' _Item.ID 2284 _Item.Name '_Peak_char.Bounding_box_range_val' _Item.Description ; Range value for a bounding box used to define the region of a NMR spectrum where an observed peak is located, when the bounding box is defined by a range in chemical shift centered on the peak chemical shift. ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_char.Details _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Details' _Item.ID 2285 _Item.Name '_Peak_char.Details' _Item.Description ; Text describing the characteristics for an observed peak. ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Peak_char.Derivation_method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Derivation_method_ID' _Item.ID 2286 _Item.Name '_Peak_char.Derivation_method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_char.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Sf_ID' _Item.ID 2287 _Item.Name '_Peak_char.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_char.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Entry_ID' _Item.ID 2288 _Item.Name '_Peak_char.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_char.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_char.Spectral_peak_list_ID' _Item.ID 2289 _Item.Name '_Peak_char.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 187 _Item.Category_label $Peak_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Peak_coupling _Category.Sf_category category_description _Category.Sf_framecode Peak_coupling _Category.ID 188 _Category.Name 'Peak_coupling' _category.Description ; Items in the peak_coupling category provide quantitative information about the scalar coupling observed through the peak splitting. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2290 $_Peak_coupling.ID '_Peak_coupling.ID' 2303 $_Peak_coupling.Entry_ID '_Peak_coupling.Entry_ID' 2304 $_Peak_coupling.Spectral_peak_list_ID '_Peak_coupling.Spectral_peak_list_ID' 188 NMR-STAR stop_ save_ save__Peak_coupling.ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.ID' _Item.ID 2290 _Item.Name '_Peak_coupling.ID' _Item.Description ; Unique identifier for the reported scalar coupling values. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_coupling.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Peak_ID' _Item.ID 2291 _Item.Name '_Peak_coupling.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_coupling.Spectral_dim_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Spectral_dim_ID' _Item.ID 2292 _Item.Name '_Peak_coupling.Spectral_dim_ID' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_coupling.Multiplet_component_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Multiplet_component_ID' _Item.ID 2293 _Item.Name '_Peak_coupling.Multiplet_component_ID' _Item.Description ; An identifier for the set of peaks for nuclei involved in the observed coupling. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_coupling.Type _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Type' _Item.ID 2294 _Item.Name '_Peak_coupling.Type' _Item.Description ; A code that describes the type of coupling pattern observed for the NMR spectral peak. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Peak_coupling.Type' s singlet 2294 188 NMR-STAR '_Peak_coupling.Type' d doublet 2294 188 NMR-STAR '_Peak_coupling.Type' dd 'doublet of doublets' 2294 188 NMR-STAR '_Peak_coupling.Type' dt 'doublet of triplets' 2294 188 NMR-STAR '_Peak_coupling.Type' t triplet 2294 188 NMR-STAR '_Peak_coupling.Type' m multiple 2294 188 NMR-STAR stop_ save_ save__Peak_coupling.Coupling_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Coupling_val' _Item.ID 2295 _Item.Name '_Peak_coupling.Coupling_val' _Item.Description ; The observed scalar coupling value. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_coupling.Coupling_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Coupling_val_err' _Item.ID 2296 _Item.Name '_Peak_coupling.Coupling_val_err' _Item.Description ; The error in the observed scalar coupling value. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_coupling.Strong_coupling_effect_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Strong_coupling_effect_val' _Item.ID 2297 _Item.Name '_Peak_coupling.Strong_coupling_effect_val' _Item.Description ; A measure of relative intensities for the transitions in the peak coupling pattern that reports on the strength of the coupling between nuclei. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_coupling.Strong_coupling_effect_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Strong_coupling_effect_val_err' _Item.ID 2298 _Item.Name '_Peak_coupling.Strong_coupling_effect_val_err' _Item.Description ; The error in the coupling effect strength value. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_coupling.Intensity_val _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Intensity_val' _Item.ID 2299 _Item.Name '_Peak_coupling.Intensity_val' _Item.Description ; The coupled transition intensity value. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_coupling.Intensity_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Intensity_val_err' _Item.ID 2300 _Item.Name '_Peak_coupling.Intensity_val_err' _Item.Description ; The error in the coupled transition intensity value. ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_coupling.Partner_coupling_peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Partner_coupling_peak_ID' _Item.ID 2301 _Item.Name '_Peak_coupling.Partner_coupling_peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_coupling.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Sf_ID' _Item.ID 2302 _Item.Name '_Peak_coupling.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_coupling.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Entry_ID' _Item.ID 2303 _Item.Name '_Peak_coupling.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_coupling.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_coupling.Spectral_peak_list_ID' _Item.ID 2304 _Item.Name '_Peak_coupling.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 188 _Item.Category_label $Peak_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assigned_peak_chem_shift _Category.Sf_category category_description _Category.Sf_framecode Assigned_peak_chem_shift _Category.ID 189 _Category.Name 'Assigned_peak_chem_shift' _category.Description ; Items in the assigned_peak_chem_shift category define the atom(s) assigned to individual peaks in the spectral peak list. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2305 $_Assigned_peak_chem_shift.Peak_ID '_Assigned_peak_chem_shift.Peak_ID' 2306 $_Assigned_peak_chem_shift.Spectral_dim_ID '_Assigned_peak_chem_shift.Spectral_dim_ID' 2307 $_Assigned_peak_chem_shift.Set_ID '_Assigned_peak_chem_shift.Set_ID' 2333 $_Assigned_peak_chem_shift.Entry_ID '_Assigned_peak_chem_shift.Entry_ID' 2334 $_Assigned_peak_chem_shift.Spectral_peak_list_ID '_Assigned_peak_chem_shift.Spectral_peak_list_ID' 189 NMR-STAR stop_ save_ save__Assigned_peak_chem_shift.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Peak_ID' _Item.ID 2305 _Item.Name '_Assigned_peak_chem_shift.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Spectral_dim_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Spectral_dim_ID' _Item.ID 2306 _Item.Name '_Assigned_peak_chem_shift.Spectral_dim_ID' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Set_ID' _Item.ID 2307 _Item.Name '_Assigned_peak_chem_shift.Set_ID' _Item.Description ; The Set ID allows assigned peaks to be grouped. This might be by spin-system or other form of grouping implemented by software or by the user. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Magnetization_linkage_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Magnetization_linkage_ID' _Item.ID 2308 _Item.Name '_Assigned_peak_chem_shift.Magnetization_linkage_ID' _Item.Description ; The Magnetization linkage ID is used to group peaks that may be related through a magnetization transfer event. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Assembly_atom_ID' _Item.ID 2309 _Item.Name '_Assigned_peak_chem_shift.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Val _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Val' _Item.ID 2310 _Item.Name '_Assigned_peak_chem_shift.Val' _Item.Description ; The quantitative chemical shift value assigned to the peak. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_peak_chem_shift.Contribution_fractional_val _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Contribution_fractional_val' _Item.ID 2311 _Item.Name '_Assigned_peak_chem_shift.Contribution_fractional_val' _Item.Description ; The fraction of a peak assigned to this peak ID. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_peak_chem_shift.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Figure_of_merit' _Item.ID 2312 _Item.Name '_Assigned_peak_chem_shift.Figure_of_merit' _Item.Description ; Figure of merit for the assignment of the atom to the reported chemical shift value. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID' _Item.ID 2313 _Item.Name '_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Atom_chem_shift_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Atom_chem_shift_ID' _Item.ID 2314 _Item.Name '_Assigned_peak_chem_shift.Atom_chem_shift_ID' _Item.Description ; Pointer to '_Atom_chem_shift.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Entity_assembly_ID' _Item.ID 2315 _Item.Name '_Assigned_peak_chem_shift.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Entity_ID' _Item.ID 2316 _Item.Name '_Assigned_peak_chem_shift.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Comp_index_ID' _Item.ID 2317 _Item.Name '_Assigned_peak_chem_shift.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Comp_ID' _Item.ID 2318 _Item.Name '_Assigned_peak_chem_shift.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Assigned_peak_chem_shift.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Atom_ID' _Item.ID 2319 _Item.Name '_Assigned_peak_chem_shift.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Assigned_peak_chem_shift.Ambiguity_code _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Ambiguity_code' _Item.ID 2320 _Item.Name '_Assigned_peak_chem_shift.Ambiguity_code' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Ambiguity_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Ambiguity_set_ID' _Item.ID 2321 _Item.Name '_Assigned_peak_chem_shift.Ambiguity_set_ID' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Auth_atom_peak_num _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_atom_peak_num' _Item.ID 2322 _Item.Name '_Assigned_peak_chem_shift.Auth_atom_peak_num' _Item.Description ; An alternative identifier found in the original peak list data that is a pointer to information in another author provided data table or file. Note that the value does not need to to the value for Peak_ID. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Auth_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_entity_ID' _Item.ID 2323 _Item.Name '_Assigned_peak_chem_shift.Auth_entity_ID' _Item.Description ; An alternative identifier for Entity_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_peak_chem_shift.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_seq_ID' _Item.ID 2324 _Item.Name '_Assigned_peak_chem_shift.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_peak_chem_shift.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_comp_ID' _Item.ID 2325 _Item.Name '_Assigned_peak_chem_shift.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_peak_chem_shift.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_atom_ID' _Item.ID 2326 _Item.Name '_Assigned_peak_chem_shift.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Assigned_peak_chem_shift.Auth_ambiguity_code _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_ambiguity_code' _Item.ID 2327 _Item.Name '_Assigned_peak_chem_shift.Auth_ambiguity_code' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_ambiguity_set_ID' _Item.ID 2328 _Item.Name '_Assigned_peak_chem_shift.Auth_ambiguity_set_ID' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID' _Item.ID 2329 _Item.Name '_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID' _Item.Description ; The author defined unque identifier that identifies a grouping of chemical shifts with ambiguity codes of 4, 5, or 6. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Resonance_ID' _Item.ID 2330 _Item.Name '_Assigned_peak_chem_shift.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Details' _Item.ID 2331 _Item.Name '_Assigned_peak_chem_shift.Details' _Item.Description ; Text describing the reported spectral peak assignment. ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assigned_peak_chem_shift.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Sf_ID' _Item.ID 2332 _Item.Name '_Assigned_peak_chem_shift.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_peak_chem_shift.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Entry_ID' _Item.ID 2333 _Item.Name '_Assigned_peak_chem_shift.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assigned_peak_chem_shift.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_peak_chem_shift.Spectral_peak_list_ID' _Item.ID 2334 _Item.Name '_Assigned_peak_chem_shift.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 189 _Item.Category_label $Assigned_peak_chem_shift _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Peak_row_format _Category.Sf_category category_description _Category.Sf_framecode Peak_row_format _Category.ID 190 _Category.Name 'Peak_row_format' _category.Description ; Items in the peak_row_format category describe the characteristics and assignments for the spectral peaks in a single row format. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2336 $_Peak_row_format.ID '_Peak_row_format.ID' 2337 $_Peak_row_format.Peak_ID '_Peak_row_format.Peak_ID' 2646 $_Peak_row_format.Entry_ID '_Peak_row_format.Entry_ID' 2647 $_Peak_row_format.Spectral_peak_list_ID '_Peak_row_format.Spectral_peak_list_ID' 190 NMR-STAR stop_ save_ save__Peak_row_format.Index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Index_ID' _Item.ID 2335 _Item.Name '_Peak_row_format.Index_ID' _Item.Description ; An integer value that is an unique identified for the row in the peak tabel. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_row_format.ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.ID' _Item.ID 2336 _Item.Name '_Peak_row_format.ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_row_format.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Peak_ID' _Item.ID 2337 _Item.Name '_Peak_row_format.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_row_format.Volume _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Volume' _Item.ID 2338 _Item.Name '_Peak_row_format.Volume' _Item.Description ; The measured volume of the peak. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Volume_uncertainty _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Volume_uncertainty' _Item.ID 2339 _Item.Name '_Peak_row_format.Volume_uncertainty' _Item.Description ; The uncertainty in the measured volume of the peak ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Height _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Height' _Item.ID 2340 _Item.Name '_Peak_row_format.Height' _Item.Description ; The measured height of the peak. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Height_uncertainty _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Height_uncertainty' _Item.ID 2341 _Item.Name '_Peak_row_format.Height_uncertainty' _Item.Description ; The uncertainty in the measured height of the peak. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Figure_of_merit' _Item.ID 2342 _Item.Name '_Peak_row_format.Figure_of_merit' _Item.Description ; A quantitative or qualitative value that provides a measure of certainty that the peak listed represents a real piece of data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Restraint _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Restraint' _Item.ID 2343 _Item.Name '_Peak_row_format.Restraint' _Item.Description ; Yes or no is this peak related to a constraint used to determine the three dimensional structure of the molecular system. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Peak_row_format.Position_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_1' _Item.ID 2344 _Item.Name '_Peak_row_format.Position_1' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_1' _Item.ID 2345 _Item.Name '_Peak_row_format.Position_uncertainty_1' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_1' _Item.ID 2346 _Item.Name '_Peak_row_format.Line_width_1' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_1' _Item.ID 2347 _Item.Name '_Peak_row_format.Line_width_uncertainty_1' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_2' _Item.ID 2348 _Item.Name '_Peak_row_format.Position_2' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_2' _Item.ID 2349 _Item.Name '_Peak_row_format.Position_uncertainty_2' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_2' _Item.ID 2350 _Item.Name '_Peak_row_format.Line_width_2' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_2' _Item.ID 2351 _Item.Name '_Peak_row_format.Line_width_uncertainty_2' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_3' _Item.ID 2352 _Item.Name '_Peak_row_format.Position_3' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_3' _Item.ID 2353 _Item.Name '_Peak_row_format.Position_uncertainty_3' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_3' _Item.ID 2354 _Item.Name '_Peak_row_format.Line_width_3' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_3' _Item.ID 2355 _Item.Name '_Peak_row_format.Line_width_uncertainty_3' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_4' _Item.ID 2356 _Item.Name '_Peak_row_format.Position_4' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_4' _Item.ID 2357 _Item.Name '_Peak_row_format.Position_uncertainty_4' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_4' _Item.ID 2358 _Item.Name '_Peak_row_format.Line_width_4' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_4' _Item.ID 2359 _Item.Name '_Peak_row_format.Line_width_uncertainty_4' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_5' _Item.ID 2360 _Item.Name '_Peak_row_format.Position_5' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_5' _Item.ID 2361 _Item.Name '_Peak_row_format.Position_uncertainty_5' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_5' _Item.ID 2362 _Item.Name '_Peak_row_format.Line_width_5' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_5' _Item.ID 2363 _Item.Name '_Peak_row_format.Line_width_uncertainty_5' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_6' _Item.ID 2364 _Item.Name '_Peak_row_format.Position_6' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_6' _Item.ID 2365 _Item.Name '_Peak_row_format.Position_uncertainty_6' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_6' _Item.ID 2366 _Item.Name '_Peak_row_format.Line_width_6' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_6' _Item.ID 2367 _Item.Name '_Peak_row_format.Line_width_uncertainty_6' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_7' _Item.ID 2368 _Item.Name '_Peak_row_format.Position_7' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_7' _Item.ID 2369 _Item.Name '_Peak_row_format.Position_uncertainty_7' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_7' _Item.ID 2370 _Item.Name '_Peak_row_format.Line_width_7' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_7' _Item.ID 2371 _Item.Name '_Peak_row_format.Line_width_uncertainty_7' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_8' _Item.ID 2372 _Item.Name '_Peak_row_format.Position_8' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_8' _Item.ID 2373 _Item.Name '_Peak_row_format.Position_uncertainty_8' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_8' _Item.ID 2374 _Item.Name '_Peak_row_format.Line_width_8' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_8' _Item.ID 2375 _Item.Name '_Peak_row_format.Line_width_uncertainty_8' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_9' _Item.ID 2376 _Item.Name '_Peak_row_format.Position_9' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_9' _Item.ID 2377 _Item.Name '_Peak_row_format.Position_uncertainty_9' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_9' _Item.ID 2378 _Item.Name '_Peak_row_format.Line_width_9' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_9' _Item.ID 2379 _Item.Name '_Peak_row_format.Line_width_uncertainty_9' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_10' _Item.ID 2380 _Item.Name '_Peak_row_format.Position_10' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_10' _Item.ID 2381 _Item.Name '_Peak_row_format.Position_uncertainty_10' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_10' _Item.ID 2382 _Item.Name '_Peak_row_format.Line_width_10' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_10' _Item.ID 2383 _Item.Name '_Peak_row_format.Line_width_uncertainty_10' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_11' _Item.ID 2384 _Item.Name '_Peak_row_format.Position_11' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_11' _Item.ID 2385 _Item.Name '_Peak_row_format.Position_uncertainty_11' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_11' _Item.ID 2386 _Item.Name '_Peak_row_format.Line_width_11' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_11' _Item.ID 2387 _Item.Name '_Peak_row_format.Line_width_uncertainty_11' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_12' _Item.ID 2388 _Item.Name '_Peak_row_format.Position_12' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_12' _Item.ID 2389 _Item.Name '_Peak_row_format.Position_uncertainty_12' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_12' _Item.ID 2390 _Item.Name '_Peak_row_format.Line_width_12' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_12' _Item.ID 2391 _Item.Name '_Peak_row_format.Line_width_uncertainty_12' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_13' _Item.ID 2392 _Item.Name '_Peak_row_format.Position_13' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_13' _Item.ID 2393 _Item.Name '_Peak_row_format.Position_uncertainty_13' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_13' _Item.ID 2394 _Item.Name '_Peak_row_format.Line_width_13' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_13' _Item.ID 2395 _Item.Name '_Peak_row_format.Line_width_uncertainty_13' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_14' _Item.ID 2396 _Item.Name '_Peak_row_format.Position_14' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_14' _Item.ID 2397 _Item.Name '_Peak_row_format.Position_uncertainty_14' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_14' _Item.ID 2398 _Item.Name '_Peak_row_format.Line_width_14' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_14' _Item.ID 2399 _Item.Name '_Peak_row_format.Line_width_uncertainty_14' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_15' _Item.ID 2400 _Item.Name '_Peak_row_format.Position_15' _Item.Description ; Peak chemical shift value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Position_uncertainty_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Position_uncertainty_15' _Item.ID 2401 _Item.Name '_Peak_row_format.Position_uncertainty_15' _Item.Description ; Peak chemical shift value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_15' _Item.ID 2402 _Item.Name '_Peak_row_format.Line_width_15' _Item.Description ; Peak line width value for this dimension in the spectrum ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Line_width_uncertainty_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Line_width_uncertainty_15' _Item.ID 2403 _Item.Name '_Peak_row_format.Line_width_uncertainty_15' _Item.Description ; Peak line width value error ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Peak_row_format.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_1' _Item.ID 2404 _Item.Name '_Peak_row_format.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_1' _Item.ID 2405 _Item.Name '_Peak_row_format.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_1' _Item.ID 2406 _Item.Name '_Peak_row_format.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_1' _Item.ID 2407 _Item.Name '_Peak_row_format.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_1' _Item.ID 2408 _Item.Name '_Peak_row_format.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_1' _Item.ID 2409 _Item.Name '_Peak_row_format.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_1' _Item.ID 2410 _Item.Name '_Peak_row_format.Ambiguity_code_1' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_1' _Item.ID 2411 _Item.Name '_Peak_row_format.Ambiguity_set_ID_1' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_2' _Item.ID 2412 _Item.Name '_Peak_row_format.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_2' _Item.ID 2413 _Item.Name '_Peak_row_format.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_2' _Item.ID 2414 _Item.Name '_Peak_row_format.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_2' _Item.ID 2415 _Item.Name '_Peak_row_format.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_2' _Item.ID 2416 _Item.Name '_Peak_row_format.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_2' _Item.ID 2417 _Item.Name '_Peak_row_format.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_2' _Item.ID 2418 _Item.Name '_Peak_row_format.Ambiguity_code_2' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_2' _Item.ID 2419 _Item.Name '_Peak_row_format.Ambiguity_set_ID_2' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_3' _Item.ID 2420 _Item.Name '_Peak_row_format.Entity_assembly_ID_3' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_3' _Item.ID 2421 _Item.Name '_Peak_row_format.Entity_ID_3' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_3' _Item.ID 2422 _Item.Name '_Peak_row_format.Comp_index_ID_3' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_3' _Item.ID 2423 _Item.Name '_Peak_row_format.Seq_ID_3' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_3' _Item.ID 2424 _Item.Name '_Peak_row_format.Comp_ID_3' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_3' _Item.ID 2425 _Item.Name '_Peak_row_format.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_3' _Item.ID 2426 _Item.Name '_Peak_row_format.Ambiguity_code_3' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_3' _Item.ID 2427 _Item.Name '_Peak_row_format.Ambiguity_set_ID_3' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_4' _Item.ID 2428 _Item.Name '_Peak_row_format.Entity_assembly_ID_4' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_4' _Item.ID 2429 _Item.Name '_Peak_row_format.Entity_ID_4' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_4' _Item.ID 2430 _Item.Name '_Peak_row_format.Comp_index_ID_4' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_4' _Item.ID 2431 _Item.Name '_Peak_row_format.Seq_ID_4' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_4' _Item.ID 2432 _Item.Name '_Peak_row_format.Comp_ID_4' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_4' _Item.ID 2433 _Item.Name '_Peak_row_format.Atom_ID_4' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_4' _Item.ID 2434 _Item.Name '_Peak_row_format.Ambiguity_code_4' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_4' _Item.ID 2435 _Item.Name '_Peak_row_format.Ambiguity_set_ID_4' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_5' _Item.ID 2436 _Item.Name '_Peak_row_format.Entity_assembly_ID_5' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_5' _Item.ID 2437 _Item.Name '_Peak_row_format.Entity_ID_5' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_5' _Item.ID 2438 _Item.Name '_Peak_row_format.Comp_index_ID_5' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_5' _Item.ID 2439 _Item.Name '_Peak_row_format.Seq_ID_5' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_5' _Item.ID 2440 _Item.Name '_Peak_row_format.Comp_ID_5' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_5' _Item.ID 2441 _Item.Name '_Peak_row_format.Atom_ID_5' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_5' _Item.ID 2442 _Item.Name '_Peak_row_format.Ambiguity_code_5' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_5' _Item.ID 2443 _Item.Name '_Peak_row_format.Ambiguity_set_ID_5' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_6' _Item.ID 2444 _Item.Name '_Peak_row_format.Entity_assembly_ID_6' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_6' _Item.ID 2445 _Item.Name '_Peak_row_format.Entity_ID_6' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_6' _Item.ID 2446 _Item.Name '_Peak_row_format.Comp_index_ID_6' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_6' _Item.ID 2447 _Item.Name '_Peak_row_format.Seq_ID_6' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_6' _Item.ID 2448 _Item.Name '_Peak_row_format.Comp_ID_6' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_6' _Item.ID 2449 _Item.Name '_Peak_row_format.Atom_ID_6' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_6' _Item.ID 2450 _Item.Name '_Peak_row_format.Ambiguity_code_6' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_6' _Item.ID 2451 _Item.Name '_Peak_row_format.Ambiguity_set_ID_6' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_7' _Item.ID 2452 _Item.Name '_Peak_row_format.Entity_assembly_ID_7' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_7' _Item.ID 2453 _Item.Name '_Peak_row_format.Entity_ID_7' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_7' _Item.ID 2454 _Item.Name '_Peak_row_format.Comp_index_ID_7' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_7' _Item.ID 2455 _Item.Name '_Peak_row_format.Seq_ID_7' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_7' _Item.ID 2456 _Item.Name '_Peak_row_format.Comp_ID_7' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_7' _Item.ID 2457 _Item.Name '_Peak_row_format.Atom_ID_7' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_7' _Item.ID 2458 _Item.Name '_Peak_row_format.Ambiguity_code_7' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_7' _Item.ID 2459 _Item.Name '_Peak_row_format.Ambiguity_set_ID_7' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_8' _Item.ID 2460 _Item.Name '_Peak_row_format.Entity_assembly_ID_8' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_8' _Item.ID 2461 _Item.Name '_Peak_row_format.Entity_ID_8' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_8' _Item.ID 2462 _Item.Name '_Peak_row_format.Comp_index_ID_8' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_8' _Item.ID 2463 _Item.Name '_Peak_row_format.Seq_ID_8' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_8' _Item.ID 2464 _Item.Name '_Peak_row_format.Comp_ID_8' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_8' _Item.ID 2465 _Item.Name '_Peak_row_format.Atom_ID_8' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_8' _Item.ID 2466 _Item.Name '_Peak_row_format.Ambiguity_code_8' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_8' _Item.ID 2467 _Item.Name '_Peak_row_format.Ambiguity_set_ID_8' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_9' _Item.ID 2468 _Item.Name '_Peak_row_format.Entity_assembly_ID_9' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_9' _Item.ID 2469 _Item.Name '_Peak_row_format.Entity_ID_9' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_9' _Item.ID 2470 _Item.Name '_Peak_row_format.Comp_index_ID_9' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_9' _Item.ID 2471 _Item.Name '_Peak_row_format.Seq_ID_9' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_9' _Item.ID 2472 _Item.Name '_Peak_row_format.Comp_ID_9' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_9' _Item.ID 2473 _Item.Name '_Peak_row_format.Atom_ID_9' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_9' _Item.ID 2474 _Item.Name '_Peak_row_format.Ambiguity_code_9' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_9' _Item.ID 2475 _Item.Name '_Peak_row_format.Ambiguity_set_ID_9' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_10' _Item.ID 2476 _Item.Name '_Peak_row_format.Entity_assembly_ID_10' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_10' _Item.ID 2477 _Item.Name '_Peak_row_format.Entity_ID_10' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_10' _Item.ID 2478 _Item.Name '_Peak_row_format.Comp_index_ID_10' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_10' _Item.ID 2479 _Item.Name '_Peak_row_format.Seq_ID_10' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_10' _Item.ID 2480 _Item.Name '_Peak_row_format.Comp_ID_10' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_10' _Item.ID 2481 _Item.Name '_Peak_row_format.Atom_ID_10' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_10' _Item.ID 2482 _Item.Name '_Peak_row_format.Ambiguity_code_10' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_10' _Item.ID 2483 _Item.Name '_Peak_row_format.Ambiguity_set_ID_10' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_11' _Item.ID 2484 _Item.Name '_Peak_row_format.Entity_assembly_ID_11' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_11' _Item.ID 2485 _Item.Name '_Peak_row_format.Entity_ID_11' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_11' _Item.ID 2486 _Item.Name '_Peak_row_format.Comp_index_ID_11' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_11' _Item.ID 2487 _Item.Name '_Peak_row_format.Seq_ID_11' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_11' _Item.ID 2488 _Item.Name '_Peak_row_format.Comp_ID_11' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_11' _Item.ID 2489 _Item.Name '_Peak_row_format.Atom_ID_11' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_11' _Item.ID 2490 _Item.Name '_Peak_row_format.Ambiguity_code_11' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_11' _Item.ID 2491 _Item.Name '_Peak_row_format.Ambiguity_set_ID_11' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_12' _Item.ID 2492 _Item.Name '_Peak_row_format.Entity_assembly_ID_12' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_12' _Item.ID 2493 _Item.Name '_Peak_row_format.Entity_ID_12' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_12' _Item.ID 2494 _Item.Name '_Peak_row_format.Comp_index_ID_12' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_12' _Item.ID 2495 _Item.Name '_Peak_row_format.Seq_ID_12' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_12' _Item.ID 2496 _Item.Name '_Peak_row_format.Comp_ID_12' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_12' _Item.ID 2497 _Item.Name '_Peak_row_format.Atom_ID_12' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_12' _Item.ID 2498 _Item.Name '_Peak_row_format.Ambiguity_code_12' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_12' _Item.ID 2499 _Item.Name '_Peak_row_format.Ambiguity_set_ID_12' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_13' _Item.ID 2500 _Item.Name '_Peak_row_format.Entity_assembly_ID_13' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_13' _Item.ID 2501 _Item.Name '_Peak_row_format.Entity_ID_13' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_13' _Item.ID 2502 _Item.Name '_Peak_row_format.Comp_index_ID_13' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_13' _Item.ID 2503 _Item.Name '_Peak_row_format.Seq_ID_13' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_13' _Item.ID 2504 _Item.Name '_Peak_row_format.Comp_ID_13' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_13' _Item.ID 2505 _Item.Name '_Peak_row_format.Atom_ID_13' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_13' _Item.ID 2506 _Item.Name '_Peak_row_format.Ambiguity_code_13' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_13' _Item.ID 2507 _Item.Name '_Peak_row_format.Ambiguity_set_ID_13' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_14' _Item.ID 2508 _Item.Name '_Peak_row_format.Entity_assembly_ID_14' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_14' _Item.ID 2509 _Item.Name '_Peak_row_format.Entity_ID_14' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_14' _Item.ID 2510 _Item.Name '_Peak_row_format.Comp_index_ID_14' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_14' _Item.ID 2511 _Item.Name '_Peak_row_format.Seq_ID_14' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_14' _Item.ID 2512 _Item.Name '_Peak_row_format.Comp_ID_14' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_14' _Item.ID 2513 _Item.Name '_Peak_row_format.Atom_ID_14' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_14' _Item.ID 2514 _Item.Name '_Peak_row_format.Ambiguity_code_14' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_14' _Item.ID 2515 _Item.Name '_Peak_row_format.Ambiguity_set_ID_14' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_assembly_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_assembly_ID_15' _Item.ID 2516 _Item.Name '_Peak_row_format.Entity_assembly_ID_15' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Entity_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entity_ID_15' _Item.ID 2517 _Item.Name '_Peak_row_format.Entity_ID_15' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_index_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_index_ID_15' _Item.ID 2518 _Item.Name '_Peak_row_format.Comp_index_ID_15' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Seq_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Seq_ID_15' _Item.ID 2519 _Item.Name '_Peak_row_format.Seq_ID_15' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Comp_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Comp_ID_15' _Item.ID 2520 _Item.Name '_Peak_row_format.Comp_ID_15' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Atom_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Atom_ID_15' _Item.ID 2521 _Item.Name '_Peak_row_format.Atom_ID_15' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Peak_row_format.Ambiguity_code_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_code_15' _Item.ID 2522 _Item.Name '_Peak_row_format.Ambiguity_code_15' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Ambiguity_set_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Ambiguity_set_ID_15' _Item.ID 2523 _Item.Name '_Peak_row_format.Ambiguity_set_ID_15' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Peak_row_format.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_1' _Item.ID 2524 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_1' _Item.ID 2525 _Item.Name '_Peak_row_format.Auth_entity_ID_1' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_1' _Item.ID 2526 _Item.Name '_Peak_row_format.Auth_asym_ID_1' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_1' _Item.ID 2527 _Item.Name '_Peak_row_format.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_1' _Item.ID 2528 _Item.Name '_Peak_row_format.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_1' _Item.ID 2529 _Item.Name '_Peak_row_format.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_1' _Item.ID 2530 _Item.Name '_Peak_row_format.Auth_ambiguity_code_1' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_1' _Item.ID 2531 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_1' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_2' _Item.ID 2532 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_2' _Item.ID 2533 _Item.Name '_Peak_row_format.Auth_entity_ID_2' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_2' _Item.ID 2534 _Item.Name '_Peak_row_format.Auth_asym_ID_2' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_2' _Item.ID 2535 _Item.Name '_Peak_row_format.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_2' _Item.ID 2536 _Item.Name '_Peak_row_format.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_2' _Item.ID 2537 _Item.Name '_Peak_row_format.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_2' _Item.ID 2538 _Item.Name '_Peak_row_format.Auth_ambiguity_code_2' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_2' _Item.ID 2539 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_2' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_3' _Item.ID 2540 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_3' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_3' _Item.ID 2541 _Item.Name '_Peak_row_format.Auth_entity_ID_3' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_3' _Item.ID 2542 _Item.Name '_Peak_row_format.Auth_asym_ID_3' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_3' _Item.ID 2543 _Item.Name '_Peak_row_format.Auth_seq_ID_3' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_3' _Item.ID 2544 _Item.Name '_Peak_row_format.Auth_comp_ID_3' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_3' _Item.ID 2545 _Item.Name '_Peak_row_format.Auth_atom_ID_3' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_3' _Item.ID 2546 _Item.Name '_Peak_row_format.Auth_ambiguity_code_3' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_3' _Item.ID 2547 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_3' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_4' _Item.ID 2548 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_4' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_4' _Item.ID 2549 _Item.Name '_Peak_row_format.Auth_entity_ID_4' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_4' _Item.ID 2550 _Item.Name '_Peak_row_format.Auth_asym_ID_4' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_4' _Item.ID 2551 _Item.Name '_Peak_row_format.Auth_seq_ID_4' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_4' _Item.ID 2552 _Item.Name '_Peak_row_format.Auth_comp_ID_4' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_4' _Item.ID 2553 _Item.Name '_Peak_row_format.Auth_atom_ID_4' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_4' _Item.ID 2554 _Item.Name '_Peak_row_format.Auth_ambiguity_code_4' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_4' _Item.ID 2555 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_4' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_5' _Item.ID 2556 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_5' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_5' _Item.ID 2557 _Item.Name '_Peak_row_format.Auth_entity_ID_5' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_5' _Item.ID 2558 _Item.Name '_Peak_row_format.Auth_asym_ID_5' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_5' _Item.ID 2559 _Item.Name '_Peak_row_format.Auth_seq_ID_5' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_5' _Item.ID 2560 _Item.Name '_Peak_row_format.Auth_comp_ID_5' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_5' _Item.ID 2561 _Item.Name '_Peak_row_format.Auth_atom_ID_5' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_5' _Item.ID 2562 _Item.Name '_Peak_row_format.Auth_ambiguity_code_5' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_5' _Item.ID 2563 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_5' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_6' _Item.ID 2564 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_6' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_6' _Item.ID 2565 _Item.Name '_Peak_row_format.Auth_entity_ID_6' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_6' _Item.ID 2566 _Item.Name '_Peak_row_format.Auth_asym_ID_6' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_6' _Item.ID 2567 _Item.Name '_Peak_row_format.Auth_seq_ID_6' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_6' _Item.ID 2568 _Item.Name '_Peak_row_format.Auth_comp_ID_6' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_6' _Item.ID 2569 _Item.Name '_Peak_row_format.Auth_atom_ID_6' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_6' _Item.ID 2570 _Item.Name '_Peak_row_format.Auth_ambiguity_code_6' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_6 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_6' _Item.ID 2571 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_6' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_7' _Item.ID 2572 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_7' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_7' _Item.ID 2573 _Item.Name '_Peak_row_format.Auth_entity_ID_7' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_7' _Item.ID 2574 _Item.Name '_Peak_row_format.Auth_asym_ID_7' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_7' _Item.ID 2575 _Item.Name '_Peak_row_format.Auth_seq_ID_7' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_7' _Item.ID 2576 _Item.Name '_Peak_row_format.Auth_comp_ID_7' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_7' _Item.ID 2577 _Item.Name '_Peak_row_format.Auth_atom_ID_7' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_7' _Item.ID 2578 _Item.Name '_Peak_row_format.Auth_ambiguity_code_7' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_7 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_7' _Item.ID 2579 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_7' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_8' _Item.ID 2580 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_8' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_8' _Item.ID 2581 _Item.Name '_Peak_row_format.Auth_entity_ID_8' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_8' _Item.ID 2582 _Item.Name '_Peak_row_format.Auth_asym_ID_8' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_8' _Item.ID 2583 _Item.Name '_Peak_row_format.Auth_seq_ID_8' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_8' _Item.ID 2584 _Item.Name '_Peak_row_format.Auth_comp_ID_8' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_8' _Item.ID 2585 _Item.Name '_Peak_row_format.Auth_atom_ID_8' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_8' _Item.ID 2586 _Item.Name '_Peak_row_format.Auth_ambiguity_code_8' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_8 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_8' _Item.ID 2587 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_8' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_9' _Item.ID 2588 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_9' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_9' _Item.ID 2589 _Item.Name '_Peak_row_format.Auth_entity_ID_9' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_9' _Item.ID 2590 _Item.Name '_Peak_row_format.Auth_asym_ID_9' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_9' _Item.ID 2591 _Item.Name '_Peak_row_format.Auth_seq_ID_9' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_9' _Item.ID 2592 _Item.Name '_Peak_row_format.Auth_comp_ID_9' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_9' _Item.ID 2593 _Item.Name '_Peak_row_format.Auth_atom_ID_9' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_9' _Item.ID 2594 _Item.Name '_Peak_row_format.Auth_ambiguity_code_9' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_9 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_9' _Item.ID 2595 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_9' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_10' _Item.ID 2596 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_10' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_10' _Item.ID 2597 _Item.Name '_Peak_row_format.Auth_entity_ID_10' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_10' _Item.ID 2598 _Item.Name '_Peak_row_format.Auth_asym_ID_10' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_10' _Item.ID 2599 _Item.Name '_Peak_row_format.Auth_seq_ID_10' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_10' _Item.ID 2600 _Item.Name '_Peak_row_format.Auth_comp_ID_10' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_10' _Item.ID 2601 _Item.Name '_Peak_row_format.Auth_atom_ID_10' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_10' _Item.ID 2602 _Item.Name '_Peak_row_format.Auth_ambiguity_code_10' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_10 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_10' _Item.ID 2603 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_10' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_11' _Item.ID 2604 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_11' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_11' _Item.ID 2605 _Item.Name '_Peak_row_format.Auth_entity_ID_11' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_11' _Item.ID 2606 _Item.Name '_Peak_row_format.Auth_asym_ID_11' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_11' _Item.ID 2607 _Item.Name '_Peak_row_format.Auth_seq_ID_11' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_11' _Item.ID 2608 _Item.Name '_Peak_row_format.Auth_comp_ID_11' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_11' _Item.ID 2609 _Item.Name '_Peak_row_format.Auth_atom_ID_11' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_11' _Item.ID 2610 _Item.Name '_Peak_row_format.Auth_ambiguity_code_11' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_11 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_11' _Item.ID 2611 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_11' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_12' _Item.ID 2612 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_12' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_12' _Item.ID 2613 _Item.Name '_Peak_row_format.Auth_entity_ID_12' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_12' _Item.ID 2614 _Item.Name '_Peak_row_format.Auth_asym_ID_12' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_12' _Item.ID 2615 _Item.Name '_Peak_row_format.Auth_seq_ID_12' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_12' _Item.ID 2616 _Item.Name '_Peak_row_format.Auth_comp_ID_12' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_12' _Item.ID 2617 _Item.Name '_Peak_row_format.Auth_atom_ID_12' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_12' _Item.ID 2618 _Item.Name '_Peak_row_format.Auth_ambiguity_code_12' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_12 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_12' _Item.ID 2619 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_12' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_13' _Item.ID 2620 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_13' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_13' _Item.ID 2621 _Item.Name '_Peak_row_format.Auth_entity_ID_13' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_13' _Item.ID 2622 _Item.Name '_Peak_row_format.Auth_asym_ID_13' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_13' _Item.ID 2623 _Item.Name '_Peak_row_format.Auth_seq_ID_13' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_13' _Item.ID 2624 _Item.Name '_Peak_row_format.Auth_comp_ID_13' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_13' _Item.ID 2625 _Item.Name '_Peak_row_format.Auth_atom_ID_13' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_13' _Item.ID 2626 _Item.Name '_Peak_row_format.Auth_ambiguity_code_13' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_13 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_13' _Item.ID 2627 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_13' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_14' _Item.ID 2628 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_14' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_14' _Item.ID 2629 _Item.Name '_Peak_row_format.Auth_entity_ID_14' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_14' _Item.ID 2630 _Item.Name '_Peak_row_format.Auth_asym_ID_14' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_14' _Item.ID 2631 _Item.Name '_Peak_row_format.Auth_seq_ID_14' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_14' _Item.ID 2632 _Item.Name '_Peak_row_format.Auth_comp_ID_14' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_14' _Item.ID 2633 _Item.Name '_Peak_row_format.Auth_atom_ID_14' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_14' _Item.ID 2634 _Item.Name '_Peak_row_format.Auth_ambiguity_code_14' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_14 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_14' _Item.ID 2635 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_14' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_assembly_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_assembly_ID_15' _Item.ID 2636 _Item.Name '_Peak_row_format.Auth_entity_assembly_ID_15' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_entity_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_entity_ID_15' _Item.ID 2637 _Item.Name '_Peak_row_format.Auth_entity_ID_15' _Item.Description ; An alternative identifier for Entity_ID ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_asym_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_asym_ID_15' _Item.ID 2638 _Item.Name '_Peak_row_format.Auth_asym_ID_15' _Item.Description ; An alternative identifier for _atom_site.label_asym_ID that may be provided by an author in order to match the identification used in the publication that describes the structure. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_seq_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_seq_ID_15' _Item.ID 2639 _Item.Name '_Peak_row_format.Auth_seq_ID_15' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_comp_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_comp_ID_15' _Item.ID 2640 _Item.Name '_Peak_row_format.Auth_comp_ID_15' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_atom_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_atom_ID_15' _Item.ID 2641 _Item.Name '_Peak_row_format.Auth_atom_ID_15' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_code_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_code_15' _Item.ID 2642 _Item.Name '_Peak_row_format.Auth_ambiguity_code_15' _Item.Description ; Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels, stereospecific ambiguity, intra and inter residue ambiguities, e ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Auth_ambiguity_set_ID_15 _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Auth_ambiguity_set_ID_15' _Item.ID 2643 _Item.Name '_Peak_row_format.Auth_ambiguity_set_ID_15' _Item.Description ; The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4, 5, or 6 that form a known set of related chemical shift assignments. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Peak_row_format.Details _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Details' _Item.ID 2644 _Item.Name '_Peak_row_format.Details' _Item.Description ; Text providing additional information regarding the spectral peak. ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Peak_row_format.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Sf_ID' _Item.ID 2645 _Item.Name '_Peak_row_format.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_row_format.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Entry_ID' _Item.ID 2646 _Item.Name '_Peak_row_format.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_row_format.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_row_format.Spectral_peak_list_ID' _Item.ID 2647 _Item.Name '_Peak_row_format.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 190 _Item.Category_label $Peak_row_format _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_transition _Category.Sf_category category_description _Category.Sf_framecode Spectral_transition _Category.ID 191 _Category.Name 'Spectral_transition' _category.Description ; Items in the spectral_transition category assign a unique identifier to a spectral transition and define the link between the spectral transition and a spectral peak. An example of a spectral transition would be one of the transitions observed in a spectral doublet resulting from scalar coupling. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2648 $_Spectral_transition.ID '_Spectral_transition.ID' 2653 $_Spectral_transition.Entry_ID '_Spectral_transition.Entry_ID' 2654 $_Spectral_transition.Spectral_peak_list_ID '_Spectral_transition.Spectral_peak_list_ID' 191 NMR-STAR stop_ save_ save__Spectral_transition.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.ID' _Item.ID 2648 _Item.Name '_Spectral_transition.ID' _Item.Description ; Unique identifier for the spectral peak. ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spectral_transition.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.Peak_ID' _Item.ID 2649 _Item.Name '_Spectral_transition.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_transition.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.Figure_of_merit' _Item.ID 2650 _Item.Name '_Spectral_transition.Figure_of_merit' _Item.Description ; A quantitative or qualitative value that provides a measure of certainty that the peak listed represents a real piece of data. ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition.Details _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.Details' _Item.ID 2651 _Item.Name '_Spectral_transition.Details' _Item.Description ; Text providing additional information regarding the spectral peak. ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_transition.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.Sf_ID' _Item.ID 2652 _Item.Name '_Spectral_transition.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_transition.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.Entry_ID' _Item.ID 2653 _Item.Name '_Spectral_transition.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_transition.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition.Spectral_peak_list_ID' _Item.ID 2654 _Item.Name '_Spectral_transition.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 191 _Item.Category_label $Spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_transition_general_char _Category.Sf_category category_description _Category.Sf_framecode Spectral_transition_general_char _Category.ID 192 _Category.Name 'Spectral_transition_general_char' _category.Description ; Items in the spectral_transition_general_char category describe the characteristics that are general to the transition. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2655 $_Spectral_transition_general_char.Spectral_transition_ID '_Spectral_transition_general_char.Spectral_transition_ID' 2657 $_Spectral_transition_general_char.Intensity_val '_Spectral_transition_general_char.Intensity_val' 2661 $_Spectral_transition_general_char.Entry_ID '_Spectral_transition_general_char.Entry_ID' 2662 $_Spectral_transition_general_char.Spectral_peak_list_ID '_Spectral_transition_general_char.Spectral_peak_list_ID' 192 NMR-STAR stop_ save_ save__Spectral_transition_general_char.Spectral_transition_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Spectral_transition_ID' _Item.ID 2655 _Item.Name '_Spectral_transition_general_char.Spectral_transition_ID' _Item.Description ; Pointer to '_Spectral_transition.ID' ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_transition_general_char.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Peak_ID' _Item.ID 2656 _Item.Name '_Spectral_transition_general_char.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_transition_general_char.Intensity_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Intensity_val' _Item.ID 2657 _Item.Name '_Spectral_transition_general_char.Intensity_val' _Item.Description ; Value for the intensity of the peak. ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Spectral_transition_general_char.Intensity_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Intensity_val_err' _Item.ID 2658 _Item.Name '_Spectral_transition_general_char.Intensity_val_err' _Item.Description ; Error in the value for the intensity of the peak. ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_general_char.Measurement_method _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Measurement_method' _Item.ID 2659 _Item.Name '_Spectral_transition_general_char.Measurement_method' _Item.Description ; Method used to determine the intensity value for the peak. ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_transition_general_char.Measurement_method' 'absolute height' ? 2659 192 NMR-STAR '_Spectral_transition_general_char.Measurement_method' height ? 2659 192 NMR-STAR '_Spectral_transition_general_char.Measurement_method' 'relative height' ? 2659 192 NMR-STAR '_Spectral_transition_general_char.Measurement_method' volume ? 2659 192 NMR-STAR '_Spectral_transition_general_char.Measurement_method' 'number of contours' ? 2659 192 NMR-STAR stop_ save_ save__Spectral_transition_general_char.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Sf_ID' _Item.ID 2660 _Item.Name '_Spectral_transition_general_char.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_transition_general_char.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Entry_ID' _Item.ID 2661 _Item.Name '_Spectral_transition_general_char.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_transition_general_char.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_general_char.Spectral_peak_list_ID' _Item.ID 2662 _Item.Name '_Spectral_transition_general_char.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 192 _Item.Category_label $Spectral_transition_general_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_transition_char _Category.Sf_category category_description _Category.Sf_framecode Spectral_transition_char _Category.ID 193 _Category.Name 'Spectral_transition_char' _category.Description ; Items in the spectral_transiition_char category describe characteristics of the spectral transition that are dependent on the dimension of the spectrum. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2663 $_Spectral_transition_char.Spectral_transition_ID '_Spectral_transition_char.Spectral_transition_ID' 2665 $_Spectral_transition_char.Spectral_dim_ID '_Spectral_transition_char.Spectral_dim_ID' 2679 $_Spectral_transition_char.Entry_ID '_Spectral_transition_char.Entry_ID' 2680 $_Spectral_transition_char.Spectral_peak_list_ID '_Spectral_transition_char.Spectral_peak_list_ID' 193 NMR-STAR stop_ save_ save__Spectral_transition_char.Spectral_transition_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Spectral_transition_ID' _Item.ID 2663 _Item.Name '_Spectral_transition_char.Spectral_transition_ID' _Item.Description ; Pointer to '_Spectral_transition.ID' ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_transition_char.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Peak_ID' _Item.ID 2664 _Item.Name '_Spectral_transition_char.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_transition_char.Spectral_dim_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Spectral_dim_ID' _Item.ID 2665 _Item.Name '_Spectral_transition_char.Spectral_dim_ID' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_transition_char.Chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Chem_shift_val' _Item.ID 2666 _Item.Name '_Spectral_transition_char.Chem_shift_val' _Item.Description ; Chem shift val ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Spectral_transition_char.Chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Chem_shift_val_err' _Item.ID 2667 _Item.Name '_Spectral_transition_char.Chem_shift_val_err' _Item.Description ; Chem shift val err ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Line_width_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Line_width_val' _Item.ID 2668 _Item.Name '_Spectral_transition_char.Line_width_val' _Item.Description ; Line width val ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Line_width_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Line_width_val_err' _Item.ID 2669 _Item.Name '_Spectral_transition_char.Line_width_val_err' _Item.Description ; Line width val err ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Phase_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Phase_val' _Item.ID 2670 _Item.Name '_Spectral_transition_char.Phase_val' _Item.Description ; Phase val ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Phase_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Phase_val_err' _Item.ID 2671 _Item.Name '_Spectral_transition_char.Phase_val_err' _Item.Description ; Phase val err ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Decay_rate_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Decay_rate_val' _Item.ID 2672 _Item.Name '_Spectral_transition_char.Decay_rate_val' _Item.Description ; Decay rate val ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Decay_rate_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Decay_rate_val_err' _Item.ID 2673 _Item.Name '_Spectral_transition_char.Decay_rate_val_err' _Item.Description ; Decay rate val err ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Bounding_box_upper_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Bounding_box_upper_val' _Item.ID 2674 _Item.Name '_Spectral_transition_char.Bounding_box_upper_val' _Item.Description ; The upper chemical shift value in the defined spectral dimension for a bounding box used to define the region of the NMR spectrum that contains the observed spectral transition. ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Bounding_box_lower_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Bounding_box_lower_val' _Item.ID 2675 _Item.Name '_Spectral_transition_char.Bounding_box_lower_val' _Item.Description ; The upper chemical shift value in the defined spectral dimension for a bounding box used to define the region of the NMR spectrum that contains the observed spectral transition. ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Bounding_box_width_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Bounding_box_width_val' _Item.ID 2676 _Item.Name '_Spectral_transition_char.Bounding_box_width_val' _Item.Description ; Range value for a bounding box used to define the region of a NMR spectrum where an observed spectral transition is located, when the bounding box is defined by a range in chemical shift centered on the chemical shift for a spectral transition. ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_transition_char.Derivation_method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Derivation_method_ID' _Item.ID 2677 _Item.Name '_Spectral_transition_char.Derivation_method_ID' _Item.Description ; Derivation methods ID ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_transition_char.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Sf_ID' _Item.ID 2678 _Item.Name '_Spectral_transition_char.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_transition_char.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Entry_ID' _Item.ID 2679 _Item.Name '_Spectral_transition_char.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_transition_char.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_transition_char.Spectral_peak_list_ID' _Item.ID 2680 _Item.Name '_Spectral_transition_char.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 193 _Item.Category_label $Spectral_transition_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Assigned_spectral_transition _Category.Sf_category category_description _Category.Sf_framecode Assigned_spectral_transition _Category.ID 194 _Category.Name 'Assigned_spectral_transition' _category.Description ; Items in the assigned_spectral_transition category provide the assignment of the spectral transition to atoms in the molecular system under study. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 44 _Category.Category_group_name spectral_peak_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2681 $_Assigned_spectral_transition.Spectral_transition_ID '_Assigned_spectral_transition.Spectral_transition_ID' 2682 $_Assigned_spectral_transition.Spectral_dim_ID '_Assigned_spectral_transition.Spectral_dim_ID' 2700 $_Assigned_spectral_transition.Entry_ID '_Assigned_spectral_transition.Entry_ID' 2701 $_Assigned_spectral_transition.Spectral_peak_list_ID '_Assigned_spectral_transition.Spectral_peak_list_ID' 194 NMR-STAR stop_ save_ save__Assigned_spectral_transition.Spectral_transition_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Spectral_transition_ID' _Item.ID 2681 _Item.Name '_Assigned_spectral_transition.Spectral_transition_ID' _Item.Description ; Pointer to '_Spectral_transition.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Spectral_dim_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Spectral_dim_ID' _Item.ID 2682 _Item.Name '_Assigned_spectral_transition.Spectral_dim_ID' _Item.Description ; Pointer to '_Spectral_dim.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Contribution_fractional_val _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Contribution_fractional_val' _Item.ID 2683 _Item.Name '_Assigned_spectral_transition.Contribution_fractional_val' _Item.Description ; The fractional value of the peak or transition that is assigned to the specified atom. ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_spectral_transition.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Peak_ID' _Item.ID 2684 _Item.Name '_Assigned_spectral_transition.Peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Set_ID' _Item.ID 2685 _Item.Name '_Assigned_spectral_transition.Set_ID' _Item.Description ; The Set ID allows assigned spectral transitions to be grouped. This might be by spin-system or other form of grouping implemented by software or by the user. ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Magnetization_linkage_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Magnetization_linkage_ID' _Item.ID 2686 _Item.Name '_Assigned_spectral_transition.Magnetization_linkage_ID' _Item.Description ; The Magnetization linkage ID is used to group transitions that may be related through a magnetization transfer event. ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Assembly_atom_ID' _Item.ID 2687 _Item.Name '_Assigned_spectral_transition.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Val _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Val' _Item.ID 2688 _Item.Name '_Assigned_spectral_transition.Val' _Item.Description ; The quantitative chemical shift value assigned to the transition. ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_spectral_transition.Assigned_chem_shift_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Assigned_chem_shift_list_ID' _Item.ID 2689 _Item.Name '_Assigned_spectral_transition.Assigned_chem_shift_list_ID' _Item.Description ; Pointer to '_Assigned_chem_shift_list.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Atom_chem_shift_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Atom_chem_shift_ID' _Item.ID 2690 _Item.Name '_Assigned_spectral_transition.Atom_chem_shift_ID' _Item.Description ; Pointer to '_Atom_chem_shift.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Entity_assembly_ID' _Item.ID 2691 _Item.Name '_Assigned_spectral_transition.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Entity_ID' _Item.ID 2692 _Item.Name '_Assigned_spectral_transition.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Comp_index_ID' _Item.ID 2693 _Item.Name '_Assigned_spectral_transition.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Comp_ID' _Item.ID 2694 _Item.Name '_Assigned_spectral_transition.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Assigned_spectral_transition.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Atom_ID' _Item.ID 2695 _Item.Name '_Assigned_spectral_transition.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Assigned_spectral_transition.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Figure_of_merit' _Item.ID 2696 _Item.Name '_Assigned_spectral_transition.Figure_of_merit' _Item.Description ; Figure of merit ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Assigned_spectral_transition.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Resonance_ID' _Item.ID 2697 _Item.Name '_Assigned_spectral_transition.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Details _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Details' _Item.ID 2698 _Item.Name '_Assigned_spectral_transition.Details' _Item.Description ; Text describing the reported spectral peak assignment. ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Assigned_spectral_transition.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Sf_ID' _Item.ID 2699 _Item.Name '_Assigned_spectral_transition.Sf_ID' _Item.Description ; Pointer to '_Spectral_peak_list.Sf_ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Assigned_spectral_transition.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Entry_ID' _Item.ID 2700 _Item.Name '_Assigned_spectral_transition.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Assigned_spectral_transition.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Assigned_spectral_transition.Spectral_peak_list_ID' _Item.ID 2701 _Item.Name '_Assigned_spectral_transition.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 194 _Item.Category_label $Assigned_spectral_transition _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Resonance_linker_list _Category.Sf_category category_description _Category.Sf_framecode Resonance_linker_list _Category.ID 195 _Category.Name 'Resonance_linker_list' _category.Description ; Items in the resonance_linker_list provide meta information regarding the CCPN system of resonance information used in defining the source of NMR spectral information used to derive peak assignments and various other data. ; _Category.Loop_code no _Category.Category_group_ID 45 _Category.Category_group_name resonance_linker _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2704 $_Resonance_linker_list.Entry_ID '_Resonance_linker_list.Entry_ID' 2706 $_Resonance_linker_list.ID '_Resonance_linker_list.ID' 195 NMR-STAR stop_ save_ save__Resonance_linker_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.Sf_category' _Item.ID 2702 _Item.Name '_Resonance_linker_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Resonance_linker_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.Sf_framecode' _Item.ID 2703 _Item.Name '_Resonance_linker_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Resonance_linker_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.Entry_ID' _Item.ID 2704 _Item.Name '_Resonance_linker_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Resonance_linker_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.Sf_ID' _Item.ID 2705 _Item.Name '_Resonance_linker_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code no _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Resonance_linker_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.ID' _Item.ID 2706 _Item.Name '_Resonance_linker_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of resonance linker information from other save frames of this category in an entry. ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Resonance_linker_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.Name' _Item.ID 2707 _Item.Name '_Resonance_linker_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Resonance_linker_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_linker_list.Details' _Item.ID 2708 _Item.Name '_Resonance_linker_list.Details' _Item.Description ; Text providing additional information regarding the data in the resonance linker list save frame. ; _Item.Category_ID 195 _Item.Category_label $Resonance_linker_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Resonance _Category.Sf_category category_description _Category.Sf_framecode Resonance _Category.ID 196 _Category.Name 'Resonance' _category.Description ; Items in the resonance category provide the parent resonance ID value and links to other categories of the resonance system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 45 _Category.Category_group_name resonance_linker _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2709 $_Resonance.ID '_Resonance.ID' 2714 $_Resonance.Entry_ID '_Resonance.Entry_ID' 2715 $_Resonance.Resonance_linker_list_ID '_Resonance.Resonance_linker_list_ID' 196 NMR-STAR stop_ save_ save__Resonance.ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.ID' _Item.ID 2709 _Item.Name '_Resonance.ID' _Item.Description ; Unique identifier for the specified resonance. ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Resonance.Name _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.Name' _Item.ID 2710 _Item.Name '_Resonance.Name' _Item.Description ; Name for the specified resonance ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Resonance.Resonance_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.Resonance_set_ID' _Item.ID 2711 _Item.Name '_Resonance.Resonance_set_ID' _Item.Description ; Pointer to '_Resonance_assignment.Resonance_set_ID' ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance.Spin_system_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.Spin_system_ID' _Item.ID 2712 _Item.Name '_Resonance.Spin_system_ID' _Item.Description ; Pointer to '_Spin_system.ID' ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.Sf_ID' _Item.ID 2713 _Item.Name '_Resonance.Sf_ID' _Item.Description ; Pointer to '_Resonance_linker_list.Sf_ID' ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.Entry_ID' _Item.ID 2714 _Item.Name '_Resonance.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Resonance.Resonance_linker_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance.Resonance_linker_list_ID' _Item.ID 2715 _Item.Name '_Resonance.Resonance_linker_list_ID' _Item.Description ; Pointer to '_Resonance_linker_list.ID' ; _Item.Category_ID 196 _Item.Category_label $Resonance _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Resonance_covalent_link _Category.Sf_category category_description _Category.Sf_framecode Resonance_covalent_link _Category.ID 197 _Category.Name 'Resonance_covalent_link' _category.Description ; Items in the resonance_covalent_link category define resonances that are linked by covalent bonds. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 45 _Category.Category_group_name resonance_linker _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2716 $_Resonance_covalent_link.Resonance_ID_1 '_Resonance_covalent_link.Resonance_ID_1' 2717 $_Resonance_covalent_link.Resonance_ID_2 '_Resonance_covalent_link.Resonance_ID_2' 2719 $_Resonance_covalent_link.Entry_ID '_Resonance_covalent_link.Entry_ID' 2720 $_Resonance_covalent_link.Resonance_linker_list_ID '_Resonance_covalent_link.Resonance_linker_list_ID' 197 NMR-STAR stop_ save_ save__Resonance_covalent_link.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_covalent_link.Resonance_ID_1' _Item.ID 2716 _Item.Name '_Resonance_covalent_link.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 197 _Item.Category_label $Resonance_covalent_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Resonance_covalent_link.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_covalent_link.Resonance_ID_2' _Item.ID 2717 _Item.Name '_Resonance_covalent_link.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 197 _Item.Category_label $Resonance_covalent_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Resonance_covalent_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_covalent_link.Sf_ID' _Item.ID 2718 _Item.Name '_Resonance_covalent_link.Sf_ID' _Item.Description ; Pointer to '_Resonance_linker_list.Sf_ID' ; _Item.Category_ID 197 _Item.Category_label $Resonance_covalent_link _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance_covalent_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_covalent_link.Entry_ID' _Item.ID 2719 _Item.Name '_Resonance_covalent_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 197 _Item.Category_label $Resonance_covalent_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Resonance_covalent_link.Resonance_linker_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_covalent_link.Resonance_linker_list_ID' _Item.ID 2720 _Item.Name '_Resonance_covalent_link.Resonance_linker_list_ID' _Item.Description ; Pointer to '_Resonance_linker_list.ID' ; _Item.Category_ID 197 _Item.Category_label $Resonance_covalent_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Resonance_assignment _Category.Sf_category category_description _Category.Sf_framecode Resonance_assignment _Category.ID 198 _Category.Name 'Resonance_assignment' _category.Description ; Items in the resonance_assignment category are used to link resonances to specific atoms in the molecular system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 45 _Category.Category_group_name resonance_linker _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2721 $_Resonance_assignment.Resonance_set_ID '_Resonance_assignment.Resonance_set_ID' 2723 $_Resonance_assignment.Entity_assembly_ID '_Resonance_assignment.Entity_assembly_ID' 2725 $_Resonance_assignment.Comp_index_ID '_Resonance_assignment.Comp_index_ID' 2727 $_Resonance_assignment.Atom_ID '_Resonance_assignment.Atom_ID' 2732 $_Resonance_assignment.Entry_ID '_Resonance_assignment.Entry_ID' 2733 $_Resonance_assignment.Resonance_linker_list_ID '_Resonance_assignment.Resonance_linker_list_ID' 198 NMR-STAR stop_ save_ save__Resonance_assignment.Resonance_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Resonance_set_ID' _Item.ID 2721 _Item.Name '_Resonance_assignment.Resonance_set_ID' _Item.Description ; A unique identifier for a set of resonance assignments. ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Resonance_assignment.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Assembly_atom_ID' _Item.ID 2722 _Item.Name '_Resonance_assignment.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance_assignment.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Entity_assembly_ID' _Item.ID 2723 _Item.Name '_Resonance_assignment.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Resonance_assignment.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Entity_ID' _Item.ID 2724 _Item.Name '_Resonance_assignment.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance_assignment.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Comp_index_ID' _Item.ID 2725 _Item.Name '_Resonance_assignment.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Resonance_assignment.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Comp_ID' _Item.ID 2726 _Item.Name '_Resonance_assignment.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Resonance_assignment.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Atom_ID' _Item.ID 2727 _Item.Name '_Resonance_assignment.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Resonance_assignment.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Atom_type' _Item.ID 2728 _Item.Name '_Resonance_assignment.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Resonance_assignment.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Atom_isotope_number' _Item.ID 2729 _Item.Name '_Resonance_assignment.Atom_isotope_number' _Item.Description ; Isotope number for the specified atom. ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance_assignment.Atom_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Atom_set_ID' _Item.ID 2730 _Item.Name '_Resonance_assignment.Atom_set_ID' _Item.Description ; A unique identifier for a set of atoms that the described atom is a member. ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance_assignment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Sf_ID' _Item.ID 2731 _Item.Name '_Resonance_assignment.Sf_ID' _Item.Description ; Pointer to '_Resonance_linker_list.Sf_ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Resonance_assignment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Entry_ID' _Item.ID 2732 _Item.Name '_Resonance_assignment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Resonance_assignment.Resonance_linker_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Resonance_assignment.Resonance_linker_list_ID' _Item.ID 2733 _Item.Name '_Resonance_assignment.Resonance_linker_list_ID' _Item.Description ; Pointer to '_Resonance_linker_list.ID' ; _Item.Category_ID 198 _Item.Category_label $Resonance_assignment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spin_system _Category.Sf_category category_description _Category.Sf_framecode Spin_system _Category.ID 199 _Category.Name 'Spin_system' _category.Description ; Items in the spin_system category define a set of atoms that as a group are link by their nuclear spin interactions. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 45 _Category.Category_group_name resonance_linker _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2734 $_Spin_system.ID '_Spin_system.ID' 2740 $_Spin_system.Entry_ID '_Spin_system.Entry_ID' 2741 $_Spin_system.Resonance_linker_list_ID '_Spin_system.Resonance_linker_list_ID' 199 NMR-STAR stop_ save_ save__Spin_system.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.ID' _Item.ID 2734 _Item.Name '_Spin_system.ID' _Item.Description ; An integer value that uniquely identifies the spin system in the list. ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spin_system.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Entity_assembly_ID' _Item.ID 2735 _Item.Name '_Spin_system.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spin_system.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Entity_ID' _Item.ID 2736 _Item.Name '_Spin_system.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spin_system.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Comp_index_ID' _Item.ID 2737 _Item.Name '_Spin_system.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spin_system.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Comp_ID' _Item.ID 2738 _Item.Name '_Spin_system.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spin_system.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Sf_ID' _Item.ID 2739 _Item.Name '_Spin_system.Sf_ID' _Item.Description ; Pointer to '_Resonance_linker_list.Sf_ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spin_system.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Entry_ID' _Item.ID 2740 _Item.Name '_Spin_system.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spin_system.Resonance_linker_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system.Resonance_linker_list_ID' _Item.ID 2741 _Item.Name '_Spin_system.Resonance_linker_list_ID' _Item.Description ; Pointer to '_Resonance_linker_list.ID' ; _Item.Category_ID 199 _Item.Category_label $Spin_system _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spin_system_link _Category.Sf_category category_description _Category.Sf_framecode Spin_system_link _Category.ID 200 _Category.Name 'Spin_system_link' _category.Description ; Items in the spin_system category define the linkage between the assigned spin systems in the molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 45 _Category.Category_group_name resonance_linker _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2742 $_Spin_system_link.From_spin_system_ID '_Spin_system_link.From_spin_system_ID' 2743 $_Spin_system_link.To_spin_system_ID '_Spin_system_link.To_spin_system_ID' 2748 $_Spin_system_link.Entry_ID '_Spin_system_link.Entry_ID' 2749 $_Spin_system_link.Resonance_linker_list_ID '_Spin_system_link.Resonance_linker_list_ID' 200 NMR-STAR stop_ save_ save__Spin_system_link.From_spin_system_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.From_spin_system_ID' _Item.ID 2742 _Item.Name '_Spin_system_link.From_spin_system_ID' _Item.Description ; Pointer to '_Spin_system.ID' ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spin_system_link.To_spin_system_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.To_spin_system_ID' _Item.ID 2743 _Item.Name '_Spin_system_link.To_spin_system_ID' _Item.Description ; Pointer to '_Spin_system.ID' ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spin_system_link.Offset _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.Offset' _Item.ID 2744 _Item.Name '_Spin_system_link.Offset' _Item.Description ; The difference in sequence number between the from and to spin system. For example, if the 'from' spin system is ALA39 and the 'to' spin system is THR38 then the offset is -1. ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spin_system_link.Type _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.Type' _Item.ID 2745 _Item.Name '_Spin_system_link.Type' _Item.Description ; The type of link between the from and to spin system. ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spin_system_link.Type' identity ? 2745 200 NMR-STAR '_Spin_system_link.Type' sequential ? 2745 200 NMR-STAR '_Spin_system_link.Type' basepair ? 2745 200 NMR-STAR '_Spin_system_link.Type' covalent ? 2745 200 NMR-STAR '_Spin_system_link.Type' hbond ? 2745 200 NMR-STAR '_Spin_system_link.Type' saltbridge ? 2745 200 NMR-STAR '_Spin_system_link.Type' dative ? 2745 200 NMR-STAR stop_ save_ save__Spin_system_link.Selected _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.Selected' _Item.ID 2746 _Item.Name '_Spin_system_link.Selected' _Item.Description ; Boolean flag that defines if the described link is selected as the correct link in an assignment process. ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spin_system_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.Sf_ID' _Item.ID 2747 _Item.Name '_Spin_system_link.Sf_ID' _Item.Description ; Pointer to '_Resonance_linker_list.Sf_ID' ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spin_system_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.Entry_ID' _Item.ID 2748 _Item.Name '_Spin_system_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spin_system_link.Resonance_linker_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spin_system_link.Resonance_linker_list_ID' _Item.ID 2749 _Item.Name '_Spin_system_link.Resonance_linker_list_ID' _Item.Description ; Pointer to '_Resonance_linker_list.ID' ; _Item.Category_ID 200 _Item.Category_label $Spin_system_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shift_isotope_effect_list _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_isotope_effect_list _Category.ID 201 _Category.Name 'Chem_shift_isotope_effect_list' _category.Description ; Items in the chem_shift_isotope_effect_list category provide information about a list of reported chemical shift values that measure the effects of isotopic substitutions in a molecular entity. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 46 _Category.Category_group_name chem_shift_isotope_effect _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2752 $_Chem_shift_isotope_effect_list.Entry_ID '_Chem_shift_isotope_effect_list.Entry_ID' 2754 $_Chem_shift_isotope_effect_list.ID '_Chem_shift_isotope_effect_list.ID' 201 NMR-STAR stop_ save_ save__Chem_shift_isotope_effect_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Sf_category' _Item.ID 2750 _Item.Name '_Chem_shift_isotope_effect_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_isotope_effect_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Sf_framecode' _Item.ID 2751 _Item.Name '_Chem_shift_isotope_effect_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Chem_shift_isotope_effect_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Entry_ID' _Item.ID 2752 _Item.Name '_Chem_shift_isotope_effect_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_isotope_effect_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Sf_ID' _Item.ID 2753 _Item.Name '_Chem_shift_isotope_effect_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_isotope_effect_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.ID' _Item.ID 2754 _Item.Name '_Chem_shift_isotope_effect_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of chemical shift isotope effect values from other save frames of this category in an entry. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_isotope_effect_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Name' _Item.ID 2755 _Item.Name '_Chem_shift_isotope_effect_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_isotope_effect_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Data_file_name' _Item.ID 2756 _Item.Name '_Chem_shift_isotope_effect_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_isotope_effect_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Sample_condition_list_ID' _Item.ID 2757 _Item.Name '_Chem_shift_isotope_effect_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_isotope_effect_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Sample_condition_list_label' _Item.ID 2758 _Item.Name '_Chem_shift_isotope_effect_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample_conditions' ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_isotope_effect_list.Chem_shift_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Chem_shift_reference_ID' _Item.ID 2759 _Item.Name '_Chem_shift_isotope_effect_list.Chem_shift_reference_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_isotope_effect_list.Chem_shift_reference_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Chem_shift_reference_label' _Item.ID 2760 _Item.Name '_Chem_shift_isotope_effect_list.Chem_shift_reference_label' _Item.Description ; Pointer to a save frame of category chem_shift_reference. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_isotope_effect_list.Isotope_effect_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Isotope_effect_type' _Item.ID 2761 _Item.Name '_Chem_shift_isotope_effect_list.Isotope_effect_type' _Item.Description ; The type of isotope chemical shift effect. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_isotope_effect_list.Isotope_effect_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Isotope_effect_val_units' _Item.ID 2762 _Item.Name '_Chem_shift_isotope_effect_list.Isotope_effect_val_units' _Item.Description ; The units for the isotope chemical shift effect. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_isotope_effect_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Details' _Item.ID 2763 _Item.Name '_Chem_shift_isotope_effect_list.Details' _Item.Description ; Text providing additional information regarding the chemical shift isotope effect data and its derivation. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_shift_isotope_effect_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Text_data_format' _Item.ID 2764 _Item.Name '_Chem_shift_isotope_effect_list.Text_data_format' _Item.Description ; The data format used to represent the chemical shift isotope effect data as ASCII text in the text block that is the value to the '_Chem_shift_isotope_effect.Text_data' tag. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_isotope_effect_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_isotope_effect_list.Text_data' _Item.ID 2765 _Item.Name '_Chem_shift_isotope_effect_list.Text_data' _Item.Description ; A set of chemical shift isotope effect data formatted as ASCII text. ; _Item.Category_ID 201 _Item.Category_label $Chem_shift_isotope_effect_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Isotope_effect_experiment _Category.Sf_category category_description _Category.Sf_framecode Isotope_effect_experiment _Category.ID 202 _Category.Name 'Isotope_effect_experiment' _category.Description ; Items in the isotope_effect_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of chemical shift data that report the effect of isotopic substitutions in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 46 _Category.Category_group_name chem_shift_isotope_effect _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2766 $_Isotope_effect_experiment.Experiment_ID '_Isotope_effect_experiment.Experiment_ID' 2772 $_Isotope_effect_experiment.Entry_ID '_Isotope_effect_experiment.Entry_ID' 2773 $_Isotope_effect_experiment.Chem_shift_isotope_effect_list_ID '_Isotope_effect_experiment.Chem_shift_isotope_effect_list_ID' 202 NMR-STAR stop_ save_ save__Isotope_effect_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Experiment_ID' _Item.ID 2766 _Item.Name '_Isotope_effect_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Experiment_name' _Item.ID 2767 _Item.Name '_Isotope_effect_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Isotope_effect_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Sample_ID' _Item.ID 2768 _Item.Name '_Isotope_effect_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Sample_label' _Item.ID 2769 _Item.Name '_Isotope_effect_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Isotope_effect_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Sample_state' _Item.ID 2770 _Item.Name '_Isotope_effect_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Isotope_effect_experiment.Sample_state' isotropic ? 2770 202 NMR-STAR '_Isotope_effect_experiment.Sample_state' anisotropic ? 2770 202 NMR-STAR '_Isotope_effect_experiment.Sample_state' solid ? 2770 202 NMR-STAR stop_ save_ save__Isotope_effect_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Sf_ID' _Item.ID 2771 _Item.Name '_Isotope_effect_experiment.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.Sf_ID' ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Entry_ID' _Item.ID 2772 _Item.Name '_Isotope_effect_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Isotope_effect_experiment.Chem_shift_isotope_effect_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_experiment.Chem_shift_isotope_effect_list_ID' _Item.ID 2773 _Item.Name '_Isotope_effect_experiment.Chem_shift_isotope_effect_list_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.ID' ; _Item.Category_ID 202 _Item.Category_label $Isotope_effect_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Isotope_effect_software _Category.Sf_category category_description _Category.Sf_framecode Isotope_effect_software _Category.ID 203 _Category.Name 'Isotope_effect_software' _category.Description ; Items in the isotope_effect_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 46 _Category.Category_group_name chem_shift_isotope_effect _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2774 $_Isotope_effect_software.Software_ID '_Isotope_effect_software.Software_ID' 2779 $_Isotope_effect_software.Entry_ID '_Isotope_effect_software.Entry_ID' 2780 $_Isotope_effect_software.Chem_shift_isotope_effect_list_ID '_Isotope_effect_software.Chem_shift_isotope_effect_list_ID' 203 NMR-STAR stop_ save_ save__Isotope_effect_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Software_ID' _Item.ID 2774 _Item.Name '_Isotope_effect_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Software_label' _Item.ID 2775 _Item.Name '_Isotope_effect_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Isotope_effect_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Method_ID' _Item.ID 2776 _Item.Name '_Isotope_effect_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Method_label' _Item.ID 2777 _Item.Name '_Isotope_effect_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Isotope_effect_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Sf_ID' _Item.ID 2778 _Item.Name '_Isotope_effect_software.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.Sf_ID' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Entry_ID' _Item.ID 2779 _Item.Name '_Isotope_effect_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Isotope_effect_software.Chem_shift_isotope_effect_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect_software.Chem_shift_isotope_effect_list_ID' _Item.ID 2780 _Item.Name '_Isotope_effect_software.Chem_shift_isotope_effect_list_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.ID' ; _Item.Category_ID 203 _Item.Category_label $Isotope_effect_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Isotope_effect _Category.Sf_category category_description _Category.Sf_framecode Isotope_effect _Category.ID 204 _Category.Name 'Isotope_effect' _category.Description ; Items in the atom_chem_shift category describe the chemical shift value assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 46 _Category.Category_group_name chem_shift_isotope_effect _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2781 $_Isotope_effect.ID '_Isotope_effect.ID' 2808 $_Isotope_effect.Entry_ID '_Isotope_effect.Entry_ID' 2809 $_Isotope_effect.Chem_shift_isotope_effect_list_ID '_Isotope_effect.Chem_shift_isotope_effect_list_ID' 204 NMR-STAR stop_ save_ save__Isotope_effect.ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.ID' _Item.ID 2781 _Item.Name '_Isotope_effect.ID' _Item.Description ; Unique identifier for the observed isotope effect. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Assembly_atom_ID' _Item.ID 2782 _Item.Name '_Isotope_effect.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Entity_assembly_ID' _Item.ID 2783 _Item.Name '_Isotope_effect.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Entity_ID' _Item.ID 2784 _Item.Name '_Isotope_effect.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Comp_index_ID' _Item.ID 2785 _Item.Name '_Isotope_effect.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Seq_ID' _Item.ID 2786 _Item.Name '_Isotope_effect.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Comp_ID' _Item.ID 2787 _Item.Name '_Isotope_effect.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Isotope_effect.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Atom_ID' _Item.ID 2788 _Item.Name '_Isotope_effect.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Isotope_effect.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Atom_type' _Item.ID 2789 _Item.Name '_Isotope_effect.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_effect.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Atom_isotope_number' _Item.ID 2790 _Item.Name '_Isotope_effect.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Label_sample_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_sample_ID_1' _Item.ID 2791 _Item.Name '_Isotope_effect.Label_sample_ID_1' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Label_pattern_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_pattern_ID_1' _Item.ID 2792 _Item.Name '_Isotope_effect.Label_pattern_ID_1' _Item.Description ; Pointer to '_Isotope_label_pattern.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Label_1_ID_chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_1_ID_chem_shift_val' _Item.ID 2793 _Item.Name '_Isotope_effect.Label_1_ID_chem_shift_val' _Item.Description ; Chemical shift value for the specified atom in the molecular assembly in a control isotopically labeled sample. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Isotope_effect.Label_1_ID_chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_1_ID_chem_shift_val_err' _Item.ID 2794 _Item.Name '_Isotope_effect.Label_1_ID_chem_shift_val_err' _Item.Description ; Estimated error in the chemical shift value for the specified atom in the molecular assembly in a control isotopically labeled sample. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Isotope_effect.Label_sample_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_sample_ID_2' _Item.ID 2795 _Item.Name '_Isotope_effect.Label_sample_ID_2' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Label_pattern_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_pattern_ID_2' _Item.ID 2796 _Item.Name '_Isotope_effect.Label_pattern_ID_2' _Item.Description ; Pointer to '_Isotope_label_pattern.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Label_2_ID_chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_2_ID_chem_shift_val' _Item.ID 2797 _Item.Name '_Isotope_effect.Label_2_ID_chem_shift_val' _Item.Description ; Chemical shift value for the specified atom in the molecular assembly in the experimental isotopically labeled sample. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Isotope_effect.Label_2_ID_chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Label_2_ID_chem_shift_val_err' _Item.ID 2798 _Item.Name '_Isotope_effect.Label_2_ID_chem_shift_val_err' _Item.Description ; Estimated error in the chemical shift value for the specified atom in the molecular assembly in a experimental isotopically labeled sample. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Isotope_effect.Chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Chem_shift_val' _Item.ID 2799 _Item.Name '_Isotope_effect.Chem_shift_val' _Item.Description ; Observed chemical shift value for the defined atom in the molecular assembly. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Isotope_effect.Chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Chem_shift_val_err' _Item.ID 2800 _Item.Name '_Isotope_effect.Chem_shift_val_err' _Item.Description ; Estimated error in the observed chemical shift value for the defined atom in the molecular assembly. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Isotope_effect.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Resonance_ID_1' _Item.ID 2801 _Item.Name '_Isotope_effect.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Resonance_ID_2' _Item.ID 2802 _Item.Name '_Isotope_effect.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_effect.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Auth_entity_assembly_ID' _Item.ID 2803 _Item.Name '_Isotope_effect.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_effect.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Auth_seq_ID' _Item.ID 2804 _Item.Name '_Isotope_effect.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_effect.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Auth_comp_ID' _Item.ID 2805 _Item.Name '_Isotope_effect.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_effect.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Auth_atom_ID' _Item.ID 2806 _Item.Name '_Isotope_effect.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_effect.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Sf_ID' _Item.ID 2807 _Item.Name '_Isotope_effect.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.Sf_ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_effect.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Entry_ID' _Item.ID 2808 _Item.Name '_Isotope_effect.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Isotope_effect.Chem_shift_isotope_effect_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_effect.Chem_shift_isotope_effect_list_ID' _Item.ID 2809 _Item.Name '_Isotope_effect.Chem_shift_isotope_effect_list_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.ID' ; _Item.Category_ID 204 _Item.Category_label $Isotope_effect _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Isotope_label_pattern _Category.Sf_category category_description _Category.Sf_framecode Isotope_label_pattern _Category.ID 205 _Category.Name 'Isotope_label_pattern' _category.Description ; Items in the isotope_label_pattern define the isotope number of the atoms in the molecules studied. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 46 _Category.Category_group_name chem_shift_isotope_effect _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2810 $_Isotope_label_pattern.ID '_Isotope_label_pattern.ID' 2825 $_Isotope_label_pattern.Entry_ID '_Isotope_label_pattern.Entry_ID' 2826 $_Isotope_label_pattern.Chem_shift_isotope_effect_list_ID '_Isotope_label_pattern.Chem_shift_isotope_effect_list_ID' 205 NMR-STAR stop_ save_ save__Isotope_label_pattern.ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.ID' _Item.ID 2810 _Item.Name '_Isotope_label_pattern.ID' _Item.Description ; Unique identifier for the defined isotope labeling pattern. ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Isotope_label_pattern.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Assembly_atom_ID' _Item.ID 2811 _Item.Name '_Isotope_label_pattern.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_label_pattern.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Entity_assembly_ID' _Item.ID 2812 _Item.Name '_Isotope_label_pattern.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_label_pattern.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Entity_ID' _Item.ID 2813 _Item.Name '_Isotope_label_pattern.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_label_pattern.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Comp_index_ID' _Item.ID 2814 _Item.Name '_Isotope_label_pattern.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_label_pattern.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Seq_ID' _Item.ID 2815 _Item.Name '_Isotope_label_pattern.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_label_pattern.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Comp_ID' _Item.ID 2816 _Item.Name '_Isotope_label_pattern.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Isotope_label_pattern.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Atom_ID' _Item.ID 2817 _Item.Name '_Isotope_label_pattern.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Isotope_label_pattern.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Atom_type' _Item.ID 2818 _Item.Name '_Isotope_label_pattern.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_label_pattern.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Atom_isotope_number' _Item.ID 2819 _Item.Name '_Isotope_label_pattern.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Isotope_label_pattern.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Auth_entity_assembly_ID' _Item.ID 2820 _Item.Name '_Isotope_label_pattern.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_label_pattern.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Auth_seq_ID' _Item.ID 2821 _Item.Name '_Isotope_label_pattern.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_label_pattern.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Auth_comp_ID' _Item.ID 2822 _Item.Name '_Isotope_label_pattern.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_label_pattern.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Auth_atom_ID' _Item.ID 2823 _Item.Name '_Isotope_label_pattern.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Isotope_label_pattern.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Sf_ID' _Item.ID 2824 _Item.Name '_Isotope_label_pattern.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.Sf_ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Isotope_label_pattern.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Entry_ID' _Item.ID 2825 _Item.Name '_Isotope_label_pattern.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Isotope_label_pattern.Chem_shift_isotope_effect_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Isotope_label_pattern.Chem_shift_isotope_effect_list_ID' _Item.ID 2826 _Item.Name '_Isotope_label_pattern.Chem_shift_isotope_effect_list_ID' _Item.Description ; Pointer to '_Chem_shift_isotope_effect_list.ID' ; _Item.Category_ID 205 _Item.Category_label $Isotope_label_pattern _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shift_perturbation_list _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_perturbation_list _Category.ID 206 _Category.Name 'Chem_shift_perturbation_list' _category.Description ; Items in the mol_interaction_chem_shift_diff category provide information about a list of reported chemical shift values resulting from the interactions between molecules in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 47 _Category.Category_group_name chem_shift_perturbation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2829 $_Chem_shift_perturbation_list.Entry_ID '_Chem_shift_perturbation_list.Entry_ID' 2831 $_Chem_shift_perturbation_list.ID '_Chem_shift_perturbation_list.ID' 206 NMR-STAR stop_ save_ save__Chem_shift_perturbation_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Sf_category' _Item.ID 2827 _Item.Name '_Chem_shift_perturbation_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_perturbation_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Sf_framecode' _Item.ID 2828 _Item.Name '_Chem_shift_perturbation_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Chem_shift_perturbation_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Entry_ID' _Item.ID 2829 _Item.Name '_Chem_shift_perturbation_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_perturbation_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Sf_ID' _Item.ID 2830 _Item.Name '_Chem_shift_perturbation_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_perturbation_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.ID' _Item.ID 2831 _Item.Name '_Chem_shift_perturbation_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of molecular interaction information from other save frames of this category in an entry. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_perturbation_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Name' _Item.ID 2832 _Item.Name '_Chem_shift_perturbation_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_perturbation_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Data_file_name' _Item.ID 2833 _Item.Name '_Chem_shift_perturbation_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_perturbation_list.Type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Type' _Item.ID 2834 _Item.Name '_Chem_shift_perturbation_list.Type' _Item.Description ; The type of chemical shift perturbation reported. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_perturbation_list.Type' 'macromolecular binding' ? 2834 206 NMR-STAR '_Chem_shift_perturbation_list.Type' 'ligand binding' ? 2834 206 NMR-STAR '_Chem_shift_perturbation_list.Type' 'ligand fragment binding' ? 2834 206 NMR-STAR '_Chem_shift_perturbation_list.Type' 'paramagnetic ligand binding' ? 2834 206 NMR-STAR '_Chem_shift_perturbation_list.Type' 'temperature titration' ? 2834 206 NMR-STAR stop_ save_ save__Chem_shift_perturbation_list.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Entity_assembly_ID' _Item.ID 2835 _Item.Name '_Chem_shift_perturbation_list.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_perturbation_list.Titrated_entity_assembly_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Titrated_entity_assembly_name' _Item.ID 2836 _Item.Name '_Chem_shift_perturbation_list.Titrated_entity_assembly_name' _Item.Description ; The name of the assembly component that was titrated to generate the chemical shift perturbation. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_perturbation_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Sample_condition_list_ID' _Item.ID 2837 _Item.Name '_Chem_shift_perturbation_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Sample_condition_list_label' _Item.ID 2838 _Item.Name '_Chem_shift_perturbation_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample_conditions' ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_perturbation_list.Chem_shift_ref_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Chem_shift_ref_set_ID' _Item.ID 2839 _Item.Name '_Chem_shift_perturbation_list.Chem_shift_ref_set_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_list.Chem_shift_ref_set_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Chem_shift_ref_set_label' _Item.ID 2840 _Item.Name '_Chem_shift_perturbation_list.Chem_shift_ref_set_label' _Item.Description ; Pointer to a save frame of the category 'chemical_shift_reference.' This is the save frame where the chemical shift referencing standards are described. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_perturbation_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Details' _Item.ID 2841 _Item.Name '_Chem_shift_perturbation_list.Details' _Item.Description ; Text providing additional information regarding the set of molecular interaction data and their derivation. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_shift_perturbation_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Text_data_format' _Item.ID 2842 _Item.Name '_Chem_shift_perturbation_list.Text_data_format' _Item.Description ; The data format used to represent the chemical shift data for molecular interaction observations as ASCII text in the text block that is the value to the '_Mol_interaction_chem_shift_diff.Text_data' tag. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_perturbation_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_list.Text_data' _Item.ID 2843 _Item.Name '_Chem_shift_perturbation_list.Text_data' _Item.Description ; A set of chemical shift data defining molecular interactions formatted as ASCII text. ; _Item.Category_ID 206 _Item.Category_label $Chem_shift_perturbation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Chem_shift_perturbation_experiment _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_perturbation_experiment _Category.ID 207 _Category.Name 'Chem_shift_perturbation_experiment' _category.Description ; Items in the mol_interaction_diff_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported chemical shifts that represent the effect of two or molecules interaction with each other. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 47 _Category.Category_group_name chem_shift_perturbation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2844 $_Chem_shift_perturbation_experiment.Experiment_ID '_Chem_shift_perturbation_experiment.Experiment_ID' 2850 $_Chem_shift_perturbation_experiment.Entry_ID '_Chem_shift_perturbation_experiment.Entry_ID' 2851 $_Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID '_Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID' 207 NMR-STAR stop_ save_ save__Chem_shift_perturbation_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Experiment_ID' _Item.ID 2844 _Item.Name '_Chem_shift_perturbation_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Experiment_name' _Item.ID 2845 _Item.Name '_Chem_shift_perturbation_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_perturbation_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Sample_ID' _Item.ID 2846 _Item.Name '_Chem_shift_perturbation_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_perturbation_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Sample_label' _Item.ID 2847 _Item.Name '_Chem_shift_perturbation_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_perturbation_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Sample_state' _Item.ID 2848 _Item.Name '_Chem_shift_perturbation_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_perturbation_experiment.Sample_state' isotropic ? 2848 207 NMR-STAR '_Chem_shift_perturbation_experiment.Sample_state' anisotropic ? 2848 207 NMR-STAR '_Chem_shift_perturbation_experiment.Sample_state' solid ? 2848 207 NMR-STAR stop_ save_ save__Chem_shift_perturbation_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Sf_ID' _Item.ID 2849 _Item.Name '_Chem_shift_perturbation_experiment.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_perturbation_list.Sf_ID' ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Entry_ID' _Item.ID 2850 _Item.Name '_Chem_shift_perturbation_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID' _Item.ID 2851 _Item.Name '_Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID' _Item.Description ; Pointer to '_Chem_shift_perturbation_list.ID' ; _Item.Category_ID 207 _Item.Category_label $Chem_shift_perturbation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shift_perturbation_software _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_perturbation_software _Category.ID 208 _Category.Name 'Chem_shift_perturbation_software' _category.Description ; Items in the mol_interaction_diff_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 47 _Category.Category_group_name chem_shift_perturbation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2852 $_Chem_shift_perturbation_software.Software_ID '_Chem_shift_perturbation_software.Software_ID' 2857 $_Chem_shift_perturbation_software.Entry_ID '_Chem_shift_perturbation_software.Entry_ID' 2858 $_Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID '_Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID' 208 NMR-STAR stop_ save_ save__Chem_shift_perturbation_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Software_ID' _Item.ID 2852 _Item.Name '_Chem_shift_perturbation_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Software_label' _Item.ID 2853 _Item.Name '_Chem_shift_perturbation_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_perturbation_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Method_ID' _Item.ID 2854 _Item.Name '_Chem_shift_perturbation_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Method_label' _Item.ID 2855 _Item.Name '_Chem_shift_perturbation_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_perturbation_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Sf_ID' _Item.ID 2856 _Item.Name '_Chem_shift_perturbation_software.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_perturbation_list.Sf_ID' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Entry_ID' _Item.ID 2857 _Item.Name '_Chem_shift_perturbation_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID' _Item.ID 2858 _Item.Name '_Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID' _Item.Description ; Pointer to '_Chem_shift_perturbation_list.ID' ; _Item.Category_ID 208 _Item.Category_label $Chem_shift_perturbation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shift_perturbation _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_perturbation _Category.ID 209 _Category.Name 'Chem_shift_perturbation' _category.Description ; Items in the mol_interaction_chem_shift category describe the chemical shift values assigned to specific atoms in a molecular assembly that result from the interactions between molecules in the molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 47 _Category.Category_group_name chem_shift_perturbation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2859 $_Chem_shift_perturbation.ID '_Chem_shift_perturbation.ID' 2881 $_Chem_shift_perturbation.Entry_ID '_Chem_shift_perturbation.Entry_ID' 2882 $_Chem_shift_perturbation.Chem_shift_perturbation_list_ID '_Chem_shift_perturbation.Chem_shift_perturbation_list_ID' 209 NMR-STAR stop_ save_ save__Chem_shift_perturbation.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.ID' _Item.ID 2859 _Item.Name '_Chem_shift_perturbation.ID' _Item.Description ; Unique identifier for the observed chemical shift difference for a nuclei caused by the interaction between two members of the molecular assembly. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Assembly_atom_ID' _Item.ID 2860 _Item.Name '_Chem_shift_perturbation.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Entity_assembly_ID' _Item.ID 2861 _Item.Name '_Chem_shift_perturbation.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Entity_ID' _Item.ID 2862 _Item.Name '_Chem_shift_perturbation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Comp_index_ID' _Item.ID 2863 _Item.Name '_Chem_shift_perturbation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Seq_ID' _Item.ID 2864 _Item.Name '_Chem_shift_perturbation.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Comp_ID' _Item.ID 2865 _Item.Name '_Chem_shift_perturbation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Atom_ID' _Item.ID 2866 _Item.Name '_Chem_shift_perturbation.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Chem_shift_perturbation.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Atom_type' _Item.ID 2867 _Item.Name '_Chem_shift_perturbation.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Atom_isotope_number' _Item.ID 2868 _Item.Name '_Chem_shift_perturbation.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Titration_value _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Titration_value' _Item.ID 2869 _Item.Name '_Chem_shift_perturbation.Titration_value' _Item.Description ; The value for the parameter titrated in the chemical shift perturbation study. This might be concentration for a molecular interation study (e.g. protein-protein interaction, lingand binding, or fragment study) or temperature for a temperature study. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_perturbation.Titration_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Titration_value_err' _Item.ID 2870 _Item.Name '_Chem_shift_perturbation.Titration_value_err' _Item.Description ; The error in the value for the parameter that was titrated. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_perturbation.Chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Chem_shift_val' _Item.ID 2871 _Item.Name '_Chem_shift_perturbation.Chem_shift_val' _Item.Description ; Chemical shift value for the atom when in the presence of the molecules that are interacting with it. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_perturbation.Chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Chem_shift_val_err' _Item.ID 2872 _Item.Name '_Chem_shift_perturbation.Chem_shift_val_err' _Item.Description ; Estimated error in the chemical shift value. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_perturbation.Difference_chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Difference_chem_shift_val' _Item.ID 2873 _Item.Name '_Chem_shift_perturbation.Difference_chem_shift_val' _Item.Description ; The difference between the chemical shift value for the atom in the free state of the molecule and in the state where it is interacting with one or more other molecules. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_perturbation.Difference_chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Difference_chem_shift_val_err' _Item.ID 2874 _Item.Name '_Chem_shift_perturbation.Difference_chem_shift_val_err' _Item.Description ; Estimated error for the delta chemical shift value reported. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_perturbation.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Resonance_ID' _Item.ID 2875 _Item.Name '_Chem_shift_perturbation.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Auth_entity_assembly_ID' _Item.ID 2876 _Item.Name '_Chem_shift_perturbation.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Auth_seq_ID' _Item.ID 2877 _Item.Name '_Chem_shift_perturbation.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Auth_comp_ID' _Item.ID 2878 _Item.Name '_Chem_shift_perturbation.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Auth_atom_ID' _Item.ID 2879 _Item.Name '_Chem_shift_perturbation.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Sf_ID' _Item.ID 2880 _Item.Name '_Chem_shift_perturbation.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_perturbation_list.Sf_ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_perturbation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Entry_ID' _Item.ID 2881 _Item.Name '_Chem_shift_perturbation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_perturbation.Chem_shift_perturbation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_perturbation.Chem_shift_perturbation_list_ID' _Item.ID 2882 _Item.Name '_Chem_shift_perturbation.Chem_shift_perturbation_list_ID' _Item.Description ; Pointer to '_Chem_shift_perturbation_list.ID' ; _Item.Category_ID 209 _Item.Category_label $Chem_shift_perturbation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chem_shift_anisotropy _Category.Sf_category category_description _Category.Sf_framecode Chem_shift_anisotropy _Category.ID 210 _Category.Name 'Chem_shift_anisotropy' _category.Description ; Items in the chem_shift_anisotropy category provide information about a list of reported chemical shift anisotropy values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 48 _Category.Category_group_name chem_shift_anisotropy _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2885 $_Chem_shift_anisotropy.Entry_ID '_Chem_shift_anisotropy.Entry_ID' 2887 $_Chem_shift_anisotropy.ID '_Chem_shift_anisotropy.ID' 210 NMR-STAR stop_ save_ save__Chem_shift_anisotropy.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Sf_category' _Item.ID 2883 _Item.Name '_Chem_shift_anisotropy.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_anisotropy.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Sf_framecode' _Item.ID 2884 _Item.Name '_Chem_shift_anisotropy.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Chem_shift_anisotropy.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Entry_ID' _Item.ID 2885 _Item.Name '_Chem_shift_anisotropy.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chem_shift_anisotropy.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Sf_ID' _Item.ID 2886 _Item.Name '_Chem_shift_anisotropy.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_anisotropy.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.ID' _Item.ID 2887 _Item.Name '_Chem_shift_anisotropy.ID' _Item.Description ; An integer value that uniquely identifies this save frame of chemical shift anisotropy data from other save frames of this category in an entry. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chem_shift_anisotropy.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Name' _Item.ID 2888 _Item.Name '_Chem_shift_anisotropy.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_anisotropy.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Data_file_name' _Item.ID 2889 _Item.Name '_Chem_shift_anisotropy.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_anisotropy.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Sample_condition_list_ID' _Item.ID 2890 _Item.Name '_Chem_shift_anisotropy.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chem_shift_anisotropy.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Sample_condition_list_label' _Item.ID 2891 _Item.Name '_Chem_shift_anisotropy.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample_conditions' ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chem_shift_anisotropy.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Spectrometer_frequency_1H' _Item.ID 2892 _Item.Name '_Chem_shift_anisotropy.Spectrometer_frequency_1H' _Item.Description ; NMR spectrometer operating frequency for protons. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chem_shift_anisotropy.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Val_units' _Item.ID 2893 _Item.Name '_Chem_shift_anisotropy.Val_units' _Item.Description ; Provide the units used for the chemical shift anisotropy values reported. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chem_shift_anisotropy.Val_units' ppm ? 2893 210 NMR-STAR '_Chem_shift_anisotropy.Val_units' ppb ? 2893 210 NMR-STAR stop_ save_ save__Chem_shift_anisotropy.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Details' _Item.ID 2894 _Item.Name '_Chem_shift_anisotropy.Details' _Item.Description ; Text describing the reported chemical shift anisotropy data. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chem_shift_anisotropy.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Text_data_format' _Item.ID 2895 _Item.Name '_Chem_shift_anisotropy.Text_data_format' _Item.Description ; The data format used to represent the chemical shift anisotropy data as ASCII text in the text block that is the value to the '_Chem_shift_anisotropy.Text_data' tag. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chem_shift_anisotropy.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Chem_shift_anisotropy.Text_data' _Item.ID 2896 _Item.Name '_Chem_shift_anisotropy.Text_data' _Item.Description ; A set of chemical shift anisotropy data formatted as ASCII text. ; _Item.Category_ID 210 _Item.Category_label $Chem_shift_anisotropy _Item.Mandatory_code no _Item.Type_code 'text' save_ save_CS_anisotropy_experiment _Category.Sf_category category_description _Category.Sf_framecode CS_anisotropy_experiment _Category.ID 211 _Category.Name 'CS_anisotropy_experiment' _category.Description ; Items in the CS_anisotropy_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported chemical shift anisotropy data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 48 _Category.Category_group_name chem_shift_anisotropy _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2897 $_CS_anisotropy_experiment.Experiment_ID '_CS_anisotropy_experiment.Experiment_ID' 2903 $_CS_anisotropy_experiment.Entry_ID '_CS_anisotropy_experiment.Entry_ID' 2904 $_CS_anisotropy_experiment.Chem_shift_anisotropy_ID '_CS_anisotropy_experiment.Chem_shift_anisotropy_ID' 211 NMR-STAR stop_ save_ save__CS_anisotropy_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Experiment_ID' _Item.ID 2897 _Item.Name '_CS_anisotropy_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Experiment_name' _Item.ID 2898 _Item.Name '_CS_anisotropy_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__CS_anisotropy_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Sample_ID' _Item.ID 2899 _Item.Name '_CS_anisotropy_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CS_anisotropy_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Sample_label' _Item.ID 2900 _Item.Name '_CS_anisotropy_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__CS_anisotropy_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Sample_state' _Item.ID 2901 _Item.Name '_CS_anisotropy_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_CS_anisotropy_experiment.Sample_state' isotropic ? 2901 211 NMR-STAR '_CS_anisotropy_experiment.Sample_state' anisotropic ? 2901 211 NMR-STAR '_CS_anisotropy_experiment.Sample_state' solid ? 2901 211 NMR-STAR stop_ save_ save__CS_anisotropy_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Sf_ID' _Item.ID 2902 _Item.Name '_CS_anisotropy_experiment.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_anisotropy.Sf_ID' ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Entry_ID' _Item.ID 2903 _Item.Name '_CS_anisotropy_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CS_anisotropy_experiment.Chem_shift_anisotropy_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_experiment.Chem_shift_anisotropy_ID' _Item.ID 2904 _Item.Name '_CS_anisotropy_experiment.Chem_shift_anisotropy_ID' _Item.Description ; Pointer to '_Chem_shift_anisotropy.ID' ; _Item.Category_ID 211 _Item.Category_label $CS_anisotropy_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_CS_anisotropy_software _Category.Sf_category category_description _Category.Sf_framecode CS_anisotropy_software _Category.ID 212 _Category.Name 'CS_anisotropy_software' _category.Description ; Items in the CS_anisotropy_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 48 _Category.Category_group_name chem_shift_anisotropy _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2905 $_CS_anisotropy_software.Software_ID '_CS_anisotropy_software.Software_ID' 2910 $_CS_anisotropy_software.Entry_ID '_CS_anisotropy_software.Entry_ID' 2911 $_CS_anisotropy_software.Chem_shift_anisotropy_ID '_CS_anisotropy_software.Chem_shift_anisotropy_ID' 212 NMR-STAR stop_ save_ save__CS_anisotropy_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Software_ID' _Item.ID 2905 _Item.Name '_CS_anisotropy_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Software_label' _Item.ID 2906 _Item.Name '_CS_anisotropy_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__CS_anisotropy_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Method_ID' _Item.ID 2907 _Item.Name '_CS_anisotropy_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CS_anisotropy_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Method_label' _Item.ID 2908 _Item.Name '_CS_anisotropy_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__CS_anisotropy_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Sf_ID' _Item.ID 2909 _Item.Name '_CS_anisotropy_software.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_anisotropy.Sf_ID' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Entry_ID' _Item.ID 2910 _Item.Name '_CS_anisotropy_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CS_anisotropy_software.Chem_shift_anisotropy_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy_software.Chem_shift_anisotropy_ID' _Item.ID 2911 _Item.Name '_CS_anisotropy_software.Chem_shift_anisotropy_ID' _Item.Description ; Pointer to '_Chem_shift_anisotropy.ID' ; _Item.Category_ID 212 _Item.Category_label $CS_anisotropy_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_CS_anisotropy _Category.Sf_category category_description _Category.Sf_framecode CS_anisotropy _Category.ID 213 _Category.Name 'CS_anisotropy' _category.Description ; Items in the CS_anisotropy category describe the chemical shift anisotropy values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 48 _Category.Category_group_name chem_shift_anisotropy _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2912 $_CS_anisotropy.ID '_CS_anisotropy.ID' 2937 $_CS_anisotropy.Entry_ID '_CS_anisotropy.Entry_ID' 2938 $_CS_anisotropy.Chem_shift_anisotropy_ID '_CS_anisotropy.Chem_shift_anisotropy_ID' 213 NMR-STAR stop_ save_ save__CS_anisotropy.ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.ID' _Item.ID 2912 _Item.Name '_CS_anisotropy.ID' _Item.Description ; Unique identifier for the observed chemical shift anisotropy. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Assembly_atom_ID' _Item.ID 2913 _Item.Name '_CS_anisotropy.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CS_anisotropy.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Entity_assembly_ID' _Item.ID 2914 _Item.Name '_CS_anisotropy.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Entity_ID' _Item.ID 2915 _Item.Name '_CS_anisotropy.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Comp_index_ID' _Item.ID 2916 _Item.Name '_CS_anisotropy.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Seq_ID' _Item.ID 2917 _Item.Name '_CS_anisotropy.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Comp_ID' _Item.ID 2918 _Item.Name '_CS_anisotropy.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CS_anisotropy.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Atom_ID' _Item.ID 2919 _Item.Name '_CS_anisotropy.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__CS_anisotropy.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Atom_type' _Item.ID 2920 _Item.Name '_CS_anisotropy.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CS_anisotropy.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Atom_isotope_number' _Item.ID 2921 _Item.Name '_CS_anisotropy.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CS_anisotropy.Val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Val' _Item.ID 2922 _Item.Name '_CS_anisotropy.Val' _Item.Description ; Chemical shift anisotropy value ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__CS_anisotropy.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Val_err' _Item.ID 2923 _Item.Name '_CS_anisotropy.Val_err' _Item.Description ; Estimated error in the chemical shift anisotropy value ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Principal_value_sigma_11_val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Principal_value_sigma_11_val' _Item.ID 2924 _Item.Name '_CS_anisotropy.Principal_value_sigma_11_val' _Item.Description ; Value for the first diagonal element for the principal matrix. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Principal_value_sigma_22_val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Principal_value_sigma_22_val' _Item.ID 2925 _Item.Name '_CS_anisotropy.Principal_value_sigma_22_val' _Item.Description ; Value for the second diagonal element for the principal matrix. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Principal_value_sigma_33_val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Principal_value_sigma_33_val' _Item.ID 2926 _Item.Name '_CS_anisotropy.Principal_value_sigma_33_val' _Item.Description ; Value for the third diagonal element for the principal matrix. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Principal_Euler_angle_alpha_val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Principal_Euler_angle_alpha_val' _Item.ID 2927 _Item.Name '_CS_anisotropy.Principal_Euler_angle_alpha_val' _Item.Description ; Value for alpha Euler angle. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Principal_Euler_angle_beta_val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Principal_Euler_angle_beta_val' _Item.ID 2928 _Item.Name '_CS_anisotropy.Principal_Euler_angle_beta_val' _Item.Description ; Value for the beta Euler angle. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Principal_Euler_angle_gamma_val _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Principal_Euler_angle_gamma_val' _Item.ID 2929 _Item.Name '_CS_anisotropy.Principal_Euler_angle_gamma_val' _Item.Description ; Value for the gamma Euler angle. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Bond_length _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Bond_length' _Item.ID 2930 _Item.Name '_CS_anisotropy.Bond_length' _Item.Description ; Value for the bond length ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'float' save_ save__CS_anisotropy.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Resonance_ID' _Item.ID 2931 _Item.Name '_CS_anisotropy.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CS_anisotropy.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Auth_entity_assembly_ID' _Item.ID 2932 _Item.Name '_CS_anisotropy.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CS_anisotropy.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Auth_seq_ID' _Item.ID 2933 _Item.Name '_CS_anisotropy.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CS_anisotropy.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Auth_comp_ID' _Item.ID 2934 _Item.Name '_CS_anisotropy.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CS_anisotropy.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Auth_atom_ID' _Item.ID 2935 _Item.Name '_CS_anisotropy.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CS_anisotropy.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Sf_ID' _Item.ID 2936 _Item.Name '_CS_anisotropy.Sf_ID' _Item.Description ; Pointer to '_Chem_shift_anisotropy.Sf_ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CS_anisotropy.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Entry_ID' _Item.ID 2937 _Item.Name '_CS_anisotropy.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CS_anisotropy.Chem_shift_anisotropy_ID _Item.Sf_category item_description _Item.Sf_framecode '_CS_anisotropy.Chem_shift_anisotropy_ID' _Item.ID 2938 _Item.Name '_CS_anisotropy.Chem_shift_anisotropy_ID' _Item.Description ; Pointer to '_Chem_shift_anisotropy.ID' ; _Item.Category_ID 213 _Item.Category_label $CS_anisotropy _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_list _Category.Sf_category category_description _Category.Sf_framecode RDC_list _Category.ID 214 _Category.Name 'RDC_list' _category.Description ; Items in the RDC_list category provide information about a list of reported residual dipolar coupling values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 51 _Category.Category_group_name RDCs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2941 $_RDC_list.Entry_ID '_RDC_list.Entry_ID' 2943 $_RDC_list.ID '_RDC_list.ID' 214 NMR-STAR stop_ save_ save__RDC_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Sf_category' _Item.ID 2939 _Item.Name '_RDC_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Sf_framecode' _Item.ID 2940 _Item.Name '_RDC_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__RDC_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Entry_ID' _Item.ID 2941 _Item.Name '_RDC_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Sf_ID' _Item.ID 2942 _Item.Name '_RDC_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__RDC_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.ID' _Item.ID 2943 _Item.Name '_RDC_list.ID' _Item.Description ; Unique identifier for the list of observed residual dipolar couplings. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__RDC_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Name' _Item.ID 2944 _Item.Name '_RDC_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Data_file_name' _Item.ID 2945 _Item.Name '_RDC_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Sample_condition_list_ID' _Item.ID 2946 _Item.Name '_RDC_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Sample_condition_list_label' _Item.ID 2947 _Item.Name '_RDC_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the residual dipolar coupling values. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__RDC_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Spectrometer_frequency_1H' _Item.ID 2948 _Item.Name '_RDC_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__RDC_list.Bond_length_usage_flag _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Bond_length_usage_flag' _Item.ID 2949 _Item.Name '_RDC_list.Bond_length_usage_flag' _Item.Description ; A flag indicating whether unique residue bond length values were used in calculating the RDC constraints. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__RDC_list.Dipolar_constraint_calib_method _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Dipolar_constraint_calib_method' _Item.ID 2950 _Item.Name '_RDC_list.Dipolar_constraint_calib_method' _Item.Description ; Method used to calibrate the values for the residual dipolar coupling constraints. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_list.Mol_align_tensor_axial_sym_mol _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Mol_align_tensor_axial_sym_mol' _Item.ID 2951 _Item.Name '_RDC_list.Mol_align_tensor_axial_sym_mol' _Item.Description ; The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item Mol_align_tensor_axial_sym_mol is the axial symmetric component of the alignment tensor (1/3(Azz-(Axx+Ayy)/2). ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_list.Mol_align_tensor_rhombic_mol _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Mol_align_tensor_rhombic_mol' _Item.ID 2952 _Item.Name '_RDC_list.Mol_align_tensor_rhombic_mol' _Item.Description ; The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item Mol_align_tensor_rhombic_mol is the rhombic component of the alignment tensor (1/3(Axx-Ayy)). ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_list.General_order_param_int_motions _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.General_order_param_int_motions' _Item.ID 2953 _Item.Name '_RDC_list.General_order_param_int_motions' _Item.Description ; The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item General_order_param_int_motions is S, the local order parameter for internal motions. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_list.Assumed_H_N_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Assumed_H_N_bond_length' _Item.ID 2954 _Item.Name '_RDC_list.Assumed_H_N_bond_length' _Item.Description ; Length assumed for the H-N bond length. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_list.Assumed_H_C_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Assumed_H_C_bond_length' _Item.ID 2955 _Item.Name '_RDC_list.Assumed_H_C_bond_length' _Item.Description ; Length assumed for the H-C bond length. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_list.Assumed_C_N_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Assumed_C_N_bond_length' _Item.ID 2956 _Item.Name '_RDC_list.Assumed_C_N_bond_length' _Item.Description ; Length assumed for the C-N bond length. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Details' _Item.ID 2957 _Item.Name '_RDC_list.Details' _Item.Description ; Additional information regarding the RDC data set can be entered in this field. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__RDC_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Text_data_format' _Item.ID 2958 _Item.Name '_RDC_list.Text_data_format' _Item.Description ; The data format used to represent the residual dipolar coupling data as ASCII text in the text block that is the value to the '_RDC_list.Text_data' tag. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_RDC_list.Text_data' _Item.ID 2959 _Item.Name '_RDC_list.Text_data' _Item.Description ; A set of RDC data formatted as ASCII text. ; _Item.Category_ID 214 _Item.Category_label $RDC_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_RDC_experiment _Category.Sf_category category_description _Category.Sf_framecode RDC_experiment _Category.ID 215 _Category.Name 'RDC_experiment' _category.Description ; Items in the RDC_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported residual dipolar coupling values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 51 _Category.Category_group_name RDCs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2960 $_RDC_experiment.Experiment_ID '_RDC_experiment.Experiment_ID' 2966 $_RDC_experiment.Entry_ID '_RDC_experiment.Entry_ID' 2967 $_RDC_experiment.RDC_list_ID '_RDC_experiment.RDC_list_ID' 215 NMR-STAR stop_ save_ save__RDC_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Experiment_ID' _Item.ID 2960 _Item.Name '_RDC_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Experiment_name' _Item.ID 2961 _Item.Name '_RDC_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Sample_ID' _Item.ID 2962 _Item.Name '_RDC_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Sample_label' _Item.ID 2963 _Item.Name '_RDC_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__RDC_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Sample_state' _Item.ID 2964 _Item.Name '_RDC_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_RDC_experiment.Sample_state' isotropic ? 2964 215 NMR-STAR '_RDC_experiment.Sample_state' anisotropic ? 2964 215 NMR-STAR '_RDC_experiment.Sample_state' solid ? 2964 215 NMR-STAR stop_ save_ save__RDC_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Sf_ID' _Item.ID 2965 _Item.Name '_RDC_experiment.Sf_ID' _Item.Description ; Pointer to '_RDC_list.Sf_ID' ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.Entry_ID' _Item.ID 2966 _Item.Name '_RDC_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_experiment.RDC_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_experiment.RDC_list_ID' _Item.ID 2967 _Item.Name '_RDC_experiment.RDC_list_ID' _Item.Description ; Pointer to '_RDC_list.ID' ; _Item.Category_ID 215 _Item.Category_label $RDC_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_software _Category.Sf_category category_description _Category.Sf_framecode RDC_software _Category.ID 216 _Category.Name 'RDC_software' _category.Description ; Items in the RDC_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 51 _Category.Category_group_name RDCs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2968 $_RDC_software.Software_ID '_RDC_software.Software_ID' 2973 $_RDC_software.Entry_ID '_RDC_software.Entry_ID' 2974 $_RDC_software.RDC_list_ID '_RDC_software.RDC_list_ID' 216 NMR-STAR stop_ save_ save__RDC_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.Software_ID' _Item.ID 2968 _Item.Name '_RDC_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.Software_label' _Item.ID 2969 _Item.Name '_RDC_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__RDC_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.Method_ID' _Item.ID 2970 _Item.Name '_RDC_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.Method_label' _Item.ID 2971 _Item.Name '_RDC_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__RDC_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.Sf_ID' _Item.ID 2972 _Item.Name '_RDC_software.Sf_ID' _Item.Description ; Pointer to '_RDC_list.Sf_ID' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.Entry_ID' _Item.ID 2973 _Item.Name '_RDC_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_software.RDC_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_software.RDC_list_ID' _Item.ID 2974 _Item.Name '_RDC_software.RDC_list_ID' _Item.Description ; Pointer to '_RDC_list.ID' ; _Item.Category_ID 216 _Item.Category_label $RDC_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC _Category.Sf_category category_description _Category.Sf_framecode RDC _Category.ID 217 _Category.Name 'RDC' _category.Description ; Items in the RDC category describe the residual dipolar coupling values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 51 _Category.Category_group_name RDCs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 2975 $_RDC.ID '_RDC.ID' 3013 $_RDC.Entry_ID '_RDC.Entry_ID' 3014 $_RDC.RDC_list_ID '_RDC.RDC_list_ID' 217 NMR-STAR stop_ save_ save__RDC.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC.ID' _Item.ID 2975 _Item.Name '_RDC.ID' _Item.Description ; Unique identifier for the observed residual dipolar coupling. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.RDC_code _Item.Sf_category item_description _Item.Sf_framecode '_RDC.RDC_code' _Item.ID 2976 _Item.Name '_RDC.RDC_code' _Item.Description ; A community standard code used to describe the type of observed residual dipolar coupling. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Assembly_atom_ID_1' _Item.ID 2977 _Item.Name '_RDC.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Entity_assembly_ID_1' _Item.ID 2978 _Item.Name '_RDC.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Entity_ID_1' _Item.ID 2979 _Item.Name '_RDC.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Comp_index_ID_1' _Item.ID 2980 _Item.Name '_RDC.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Seq_ID_1' _Item.ID 2981 _Item.Name '_RDC.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Comp_ID_1' _Item.ID 2982 _Item.Name '_RDC.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Atom_ID_1' _Item.ID 2983 _Item.Name '_RDC.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__RDC.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Atom_type_1' _Item.ID 2984 _Item.Name '_RDC.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Atom_isotope_number_1' _Item.ID 2985 _Item.Name '_RDC.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC.Ambiguity_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Ambiguity_code_1' _Item.ID 2986 _Item.Name '_RDC.Ambiguity_code_1' _Item.Description ; A code indicating ambiguity that may exist in the assignment of the atom to the residual dipolar coupling constant. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Assembly_atom_ID_2' _Item.ID 2987 _Item.Name '_RDC.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Entity_assembly_ID_2' _Item.ID 2988 _Item.Name '_RDC.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Entity_ID_2' _Item.ID 2989 _Item.Name '_RDC.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Comp_index_ID_2' _Item.ID 2990 _Item.Name '_RDC.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Seq_ID_2' _Item.ID 2991 _Item.Name '_RDC.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Comp_ID_2' _Item.ID 2992 _Item.Name '_RDC.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Atom_ID_2' _Item.ID 2993 _Item.Name '_RDC.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__RDC.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Atom_type_2' _Item.ID 2994 _Item.Name '_RDC.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Atom_isotope_number_2' _Item.ID 2995 _Item.Name '_RDC.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC.Ambiguity_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Ambiguity_code_2' _Item.ID 2996 _Item.Name '_RDC.Ambiguity_code_2' _Item.Description ; A code indicating ambiguity that may exist in the assignment of the atom to the residual dipolar coupling constant. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Val _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Val' _Item.ID 2997 _Item.Name '_RDC.Val' _Item.Description ; A residual dipolar coupling value. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Val_min' _Item.ID 2998 _Item.Name '_RDC.Val_min' _Item.Description ; For a residual dipolar coupling that cannot be assigned a specific value, the minimum estimated value. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Val_max' _Item.ID 2999 _Item.Name '_RDC.Val_max' _Item.Description ; For a residual dipolar coupling that cannot be assigned a specific value, the maximum estimated value. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Val_err' _Item.ID 3000 _Item.Name '_RDC.Val_err' _Item.Description ; The estimated or measured error in the residual dipolar coupling value. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC.Val_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Val_bond_length' _Item.ID 3001 _Item.Name '_RDC.Val_bond_length' _Item.Description ; Bond length value used in calculating the RDC constraint value. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Resonance_ID_1' _Item.ID 3002 _Item.Name '_RDC.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Resonance_ID_2' _Item.ID 3003 _Item.Name '_RDC.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_entity_assembly_ID_1' _Item.ID 3004 _Item.Name '_RDC.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_seq_ID_1' _Item.ID 3005 _Item.Name '_RDC.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_comp_ID_1' _Item.ID 3006 _Item.Name '_RDC.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_atom_ID_1' _Item.ID 3007 _Item.Name '_RDC.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_entity_assembly_ID_2' _Item.ID 3008 _Item.Name '_RDC.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_seq_ID_2' _Item.ID 3009 _Item.Name '_RDC.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_comp_ID_2' _Item.ID 3010 _Item.Name '_RDC.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Auth_atom_ID_2' _Item.ID 3011 _Item.Name '_RDC.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Sf_ID' _Item.ID 3012 _Item.Name '_RDC.Sf_ID' _Item.Description ; Pointer to '_RDC_list.Sf_ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC.Entry_ID' _Item.ID 3013 _Item.Name '_RDC.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC.RDC_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC.RDC_list_ID' _Item.ID 3014 _Item.Name '_RDC.RDC_list_ID' _Item.Description ; Pointer to '_RDC_list.ID' ; _Item.Category_ID 217 _Item.Category_label $RDC _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dipolar_coupling_list _Category.Sf_category category_description _Category.Sf_framecode Dipolar_coupling_list _Category.ID 218 _Category.Name 'Dipolar_coupling_list' _category.Description ; Items in the dipolar_coupling_list category provide information about a list of reported dipolar coupling values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 52 _Category.Category_group_name dipolar_couplings _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3017 $_Dipolar_coupling_list.Entry_ID '_Dipolar_coupling_list.Entry_ID' 3019 $_Dipolar_coupling_list.ID '_Dipolar_coupling_list.ID' 218 NMR-STAR stop_ save_ save__Dipolar_coupling_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Sf_category' _Item.ID 3015 _Item.Name '_Dipolar_coupling_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Sf_framecode' _Item.ID 3016 _Item.Name '_Dipolar_coupling_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Dipolar_coupling_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Entry_ID' _Item.ID 3017 _Item.Name '_Dipolar_coupling_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Sf_ID' _Item.ID 3018 _Item.Name '_Dipolar_coupling_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dipolar_coupling_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.ID' _Item.ID 3019 _Item.Name '_Dipolar_coupling_list.ID' _Item.Description ; Unique identifier for the list of observed residual dipolar couplings. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dipolar_coupling_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Name' _Item.ID 3020 _Item.Name '_Dipolar_coupling_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipolar_coupling_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Data_file_name' _Item.ID 3021 _Item.Name '_Dipolar_coupling_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipolar_coupling_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Sample_condition_list_ID' _Item.ID 3022 _Item.Name '_Dipolar_coupling_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Sample_condition_list_label' _Item.ID 3023 _Item.Name '_Dipolar_coupling_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the residual dipolar coupling values. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Dipolar_coupling_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Spectrometer_frequency_1H' _Item.ID 3024 _Item.Name '_Dipolar_coupling_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Dipolar_coupling_list.Scaling_factor _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Scaling_factor' _Item.ID 3025 _Item.Name '_Dipolar_coupling_list.Scaling_factor' _Item.Description ; Scaling factor used in deriving the dipolar coupling values. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling_list.Fitting_procedure _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Fitting_procedure' _Item.ID 3026 _Item.Name '_Dipolar_coupling_list.Fitting_procedure' _Item.Description ; Procedure used to fit the data in deriving the dipolar coupling values. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Dipolar_coupling_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Details' _Item.ID 3027 _Item.Name '_Dipolar_coupling_list.Details' _Item.Description ; Additional information regarding the Dipolar coupling data set can be entered in this field. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Dipolar_coupling_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Text_data_format' _Item.ID 3028 _Item.Name '_Dipolar_coupling_list.Text_data_format' _Item.Description ; The data format used to represent the dipolar coupling data as ASCII text in the text block that is the value to the '_Dipolar_coupling.Text_data' tag. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipolar_coupling_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_list.Text_data' _Item.ID 3029 _Item.Name '_Dipolar_coupling_list.Text_data' _Item.Description ; A set of dipolar coupling data formatted as ASCII text. ; _Item.Category_ID 218 _Item.Category_label $Dipolar_coupling_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Dipolar_coupling_experiment _Category.Sf_category category_description _Category.Sf_framecode Dipolar_coupling_experiment _Category.ID 219 _Category.Name 'Dipolar_coupling_experiment' _category.Description ; Items in the dipolar_coupling_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported dipolar coupling values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 52 _Category.Category_group_name dipolar_couplings _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3030 $_Dipolar_coupling_experiment.Experiment_ID '_Dipolar_coupling_experiment.Experiment_ID' 3036 $_Dipolar_coupling_experiment.Entry_ID '_Dipolar_coupling_experiment.Entry_ID' 3037 $_Dipolar_coupling_experiment.Dipolar_coupling_list_ID '_Dipolar_coupling_experiment.Dipolar_coupling_list_ID' 219 NMR-STAR stop_ save_ save__Dipolar_coupling_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Experiment_ID' _Item.ID 3030 _Item.Name '_Dipolar_coupling_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Experiment_name' _Item.ID 3031 _Item.Name '_Dipolar_coupling_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipolar_coupling_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Sample_ID' _Item.ID 3032 _Item.Name '_Dipolar_coupling_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Sample_label' _Item.ID 3033 _Item.Name '_Dipolar_coupling_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Dipolar_coupling_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Sample_state' _Item.ID 3034 _Item.Name '_Dipolar_coupling_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Dipolar_coupling_experiment.Sample_state' isotropic ? 3034 219 NMR-STAR '_Dipolar_coupling_experiment.Sample_state' anisotropic ? 3034 219 NMR-STAR '_Dipolar_coupling_experiment.Sample_state' solid ? 3034 219 NMR-STAR stop_ save_ save__Dipolar_coupling_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Sf_ID' _Item.ID 3035 _Item.Name '_Dipolar_coupling_experiment.Sf_ID' _Item.Description ; Pointer to '_Dipolar_coupling_list.Sf_ID' ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Entry_ID' _Item.ID 3036 _Item.Name '_Dipolar_coupling_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling_experiment.Dipolar_coupling_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_experiment.Dipolar_coupling_list_ID' _Item.ID 3037 _Item.Name '_Dipolar_coupling_experiment.Dipolar_coupling_list_ID' _Item.Description ; Pointer to '_Dipolar_coupling_list.ID' ; _Item.Category_ID 219 _Item.Category_label $Dipolar_coupling_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dipolar_coupling_software _Category.Sf_category category_description _Category.Sf_framecode Dipolar_coupling_software _Category.ID 220 _Category.Name 'Dipolar_coupling_software' _category.Description ; Items in the dipolar_coupling_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 52 _Category.Category_group_name dipolar_couplings _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3038 $_Dipolar_coupling_software.Software_ID '_Dipolar_coupling_software.Software_ID' 3043 $_Dipolar_coupling_software.Entry_ID '_Dipolar_coupling_software.Entry_ID' 3044 $_Dipolar_coupling_software.Dipolar_coupling_list_ID '_Dipolar_coupling_software.Dipolar_coupling_list_ID' 220 NMR-STAR stop_ save_ save__Dipolar_coupling_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Software_ID' _Item.ID 3038 _Item.Name '_Dipolar_coupling_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Software_label' _Item.ID 3039 _Item.Name '_Dipolar_coupling_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Dipolar_coupling_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Method_ID' _Item.ID 3040 _Item.Name '_Dipolar_coupling_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Method_label' _Item.ID 3041 _Item.Name '_Dipolar_coupling_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Dipolar_coupling_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Sf_ID' _Item.ID 3042 _Item.Name '_Dipolar_coupling_software.Sf_ID' _Item.Description ; Pointer to '_Dipolar_coupling_list.Sf_ID' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Entry_ID' _Item.ID 3043 _Item.Name '_Dipolar_coupling_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling_software.Dipolar_coupling_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling_software.Dipolar_coupling_list_ID' _Item.ID 3044 _Item.Name '_Dipolar_coupling_software.Dipolar_coupling_list_ID' _Item.Description ; Pointer to '_Dipolar_coupling_list.ID' ; _Item.Category_ID 220 _Item.Category_label $Dipolar_coupling_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dipolar_coupling _Category.Sf_category category_description _Category.Sf_framecode Dipolar_coupling _Category.ID 221 _Category.Name 'Dipolar_coupling' _category.Description ; Items in the dipolar_coupling category describe the dipolar coupling values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 52 _Category.Category_group_name dipolar_couplings _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3045 $_Dipolar_coupling.ID '_Dipolar_coupling.ID' 3085 $_Dipolar_coupling.Entry_ID '_Dipolar_coupling.Entry_ID' 3086 $_Dipolar_coupling.Dipolar_coupling_list_ID '_Dipolar_coupling.Dipolar_coupling_list_ID' 221 NMR-STAR stop_ save_ save__Dipolar_coupling.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.ID' _Item.ID 3045 _Item.Name '_Dipolar_coupling.ID' _Item.Description ; Unique identifier for the observed residual dipolar coupling. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Dipolar_coupling_code _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Dipolar_coupling_code' _Item.ID 3046 _Item.Name '_Dipolar_coupling.Dipolar_coupling_code' _Item.Description ; A community standard code used to describe the type of observed residual dipolar coupling. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Assembly_atom_ID_1' _Item.ID 3047 _Item.Name '_Dipolar_coupling.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Entity_assembly_ID_1' _Item.ID 3048 _Item.Name '_Dipolar_coupling.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Entity_ID_1' _Item.ID 3049 _Item.Name '_Dipolar_coupling.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Comp_index_ID_1' _Item.ID 3050 _Item.Name '_Dipolar_coupling.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Seq_ID_1' _Item.ID 3051 _Item.Name '_Dipolar_coupling.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Comp_ID_1' _Item.ID 3052 _Item.Name '_Dipolar_coupling.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Atom_ID_1' _Item.ID 3053 _Item.Name '_Dipolar_coupling.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Dipolar_coupling.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Atom_type_1' _Item.ID 3054 _Item.Name '_Dipolar_coupling.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Atom_isotope_number_1' _Item.ID 3055 _Item.Name '_Dipolar_coupling.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling.Ambiguity_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Ambiguity_code_1' _Item.ID 3056 _Item.Name '_Dipolar_coupling.Ambiguity_code_1' _Item.Description ; A code indicating ambiguity that may exist in the assignment of the atom to the dipolar coupling constant. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Assembly_atom_ID_2' _Item.ID 3057 _Item.Name '_Dipolar_coupling.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Entity_assembly_ID_2' _Item.ID 3058 _Item.Name '_Dipolar_coupling.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Entity_ID_2' _Item.ID 3059 _Item.Name '_Dipolar_coupling.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Comp_index_ID_2' _Item.ID 3060 _Item.Name '_Dipolar_coupling.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Seq_ID_2' _Item.ID 3061 _Item.Name '_Dipolar_coupling.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Comp_ID_2' _Item.ID 3062 _Item.Name '_Dipolar_coupling.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Atom_ID_2' _Item.ID 3063 _Item.Name '_Dipolar_coupling.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Dipolar_coupling.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Atom_type_2' _Item.ID 3064 _Item.Name '_Dipolar_coupling.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Atom_isotope_number_2' _Item.ID 3065 _Item.Name '_Dipolar_coupling.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling.Ambiguity_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Ambiguity_code_2' _Item.ID 3066 _Item.Name '_Dipolar_coupling.Ambiguity_code_2' _Item.Description ; A code indicating ambiguity that may exist in the assignment of the atom to the dipolar coupling constant. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Val _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Val' _Item.ID 3067 _Item.Name '_Dipolar_coupling.Val' _Item.Description ; Dipolar coupling value ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Val_min' _Item.ID 3068 _Item.Name '_Dipolar_coupling.Val_min' _Item.Description ; Estimated minimum value for the dipolar coupling when a specific value cannot be obtained. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Val_max' _Item.ID 3069 _Item.Name '_Dipolar_coupling.Val_max' _Item.Description ; Estimated maximum value for the dipolar coupling constant when a specific value cannot be obtained. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Val_err' _Item.ID 3070 _Item.Name '_Dipolar_coupling.Val_err' _Item.Description ; Estimated error in the dipolar coupling value ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Principal_Euler_angle_alpha_val _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Principal_Euler_angle_alpha_val' _Item.ID 3071 _Item.Name '_Dipolar_coupling.Principal_Euler_angle_alpha_val' _Item.Description ; Value for the principal Euler angle alpha. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Principal_Euler_angle_beta_val _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Principal_Euler_angle_beta_val' _Item.ID 3072 _Item.Name '_Dipolar_coupling.Principal_Euler_angle_beta_val' _Item.Description ; Value for the principal Euler angle beta. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Principal_Euler_angle_gamma_val _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Principal_Euler_angle_gamma_val' _Item.ID 3073 _Item.Name '_Dipolar_coupling.Principal_Euler_angle_gamma_val' _Item.Description ; Value for the principal Euler angle gamma. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipolar_coupling.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Resonance_ID_1' _Item.ID 3074 _Item.Name '_Dipolar_coupling.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Resonance_ID_2' _Item.ID 3075 _Item.Name '_Dipolar_coupling.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipolar_coupling.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_entity_assembly_ID_1' _Item.ID 3076 _Item.Name '_Dipolar_coupling.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_seq_ID_1' _Item.ID 3077 _Item.Name '_Dipolar_coupling.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_comp_ID_1' _Item.ID 3078 _Item.Name '_Dipolar_coupling.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_atom_ID_1' _Item.ID 3079 _Item.Name '_Dipolar_coupling.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_entity_assembly_ID_2' _Item.ID 3080 _Item.Name '_Dipolar_coupling.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_seq_ID_2' _Item.ID 3081 _Item.Name '_Dipolar_coupling.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_comp_ID_2' _Item.ID 3082 _Item.Name '_Dipolar_coupling.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Auth_atom_ID_2' _Item.ID 3083 _Item.Name '_Dipolar_coupling.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipolar_coupling.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Sf_ID' _Item.ID 3084 _Item.Name '_Dipolar_coupling.Sf_ID' _Item.Description ; Pointer to '_Dipolar_coupling_list.Sf_ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipolar_coupling.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Entry_ID' _Item.ID 3085 _Item.Name '_Dipolar_coupling.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipolar_coupling.Dipolar_coupling_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipolar_coupling.Dipolar_coupling_list_ID' _Item.ID 3086 _Item.Name '_Dipolar_coupling.Dipolar_coupling_list_ID' _Item.Description ; Pointer to '_Dipolar_coupling_list.ID' ; _Item.Category_ID 221 _Item.Category_label $Dipolar_coupling _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_density_list _Category.Sf_category category_description _Category.Sf_framecode Spectral_density_list _Category.ID 222 _Category.Name 'Spectral_density_list' _category.Description ; Items in the spectral_density_list category provide information about a list of reported spectral density values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 53 _Category.Category_group_name spectral_density_values _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3089 $_Spectral_density_list.Entry_ID '_Spectral_density_list.Entry_ID' 3091 $_Spectral_density_list.ID '_Spectral_density_list.ID' 222 NMR-STAR stop_ save_ save__Spectral_density_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Sf_category' _Item.ID 3087 _Item.Name '_Spectral_density_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Sf_framecode' _Item.ID 3088 _Item.Name '_Spectral_density_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Spectral_density_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Entry_ID' _Item.ID 3089 _Item.Name '_Spectral_density_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Sf_ID' _Item.ID 3090 _Item.Name '_Spectral_density_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spectral_density_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.ID' _Item.ID 3091 _Item.Name '_Spectral_density_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of spectral density data from other save frames of this category in an entry. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Spectral_density_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Name' _Item.ID 3092 _Item.Name '_Spectral_density_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_density_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Data_file_name' _Item.ID 3093 _Item.Name '_Spectral_density_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_density_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Sample_condition_list_ID' _Item.ID 3094 _Item.Name '_Spectral_density_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Sample_condition_list_label' _Item.ID 3095 _Item.Name '_Spectral_density_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the spectral density values. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Spectral_density_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Details' _Item.ID 3096 _Item.Name '_Spectral_density_list.Details' _Item.Description ; Text describing the reported spectral density values. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Spectral_density_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Text_data_format' _Item.ID 3097 _Item.Name '_Spectral_density_list.Text_data_format' _Item.Description ; The data format used to represent the spectral density data as ASCII text in the text block that is the value to the '_Spectral_density_list.Text_data' tag. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_density_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_list.Text_data' _Item.ID 3098 _Item.Name '_Spectral_density_list.Text_data' _Item.Description ; A set of spectral density data formatted as ASCII text. ; _Item.Category_ID 222 _Item.Category_label $Spectral_density_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Spectral_density_experiment _Category.Sf_category category_description _Category.Sf_framecode Spectral_density_experiment _Category.ID 223 _Category.Name 'Spectral_density_experiment' _category.Description ; Items in the spectral_density_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported spectral density values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 53 _Category.Category_group_name spectral_density_values _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3099 $_Spectral_density_experiment.Experiment_ID '_Spectral_density_experiment.Experiment_ID' 3105 $_Spectral_density_experiment.Entry_ID '_Spectral_density_experiment.Entry_ID' 3106 $_Spectral_density_experiment.Spectral_density_list_ID '_Spectral_density_experiment.Spectral_density_list_ID' 223 NMR-STAR stop_ save_ save__Spectral_density_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Experiment_ID' _Item.ID 3099 _Item.Name '_Spectral_density_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Experiment_name' _Item.ID 3100 _Item.Name '_Spectral_density_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Spectral_density_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Sample_ID' _Item.ID 3101 _Item.Name '_Spectral_density_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_density_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Sample_label' _Item.ID 3102 _Item.Name '_Spectral_density_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_density_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Sample_state' _Item.ID 3103 _Item.Name '_Spectral_density_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Spectral_density_experiment.Sample_state' isotropic ? 3103 223 NMR-STAR '_Spectral_density_experiment.Sample_state' anisotropic ? 3103 223 NMR-STAR '_Spectral_density_experiment.Sample_state' solid ? 3103 223 NMR-STAR stop_ save_ save__Spectral_density_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Sf_ID' _Item.ID 3104 _Item.Name '_Spectral_density_experiment.Sf_ID' _Item.Description ; Pointer to '_Spectral_density_list.Sf_ID' ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Entry_ID' _Item.ID 3105 _Item.Name '_Spectral_density_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density_experiment.Spectral_density_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_experiment.Spectral_density_list_ID' _Item.ID 3106 _Item.Name '_Spectral_density_experiment.Spectral_density_list_ID' _Item.Description ; Pointer to '_Spectral_density_list.ID' ; _Item.Category_ID 223 _Item.Category_label $Spectral_density_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_density_software _Category.Sf_category category_description _Category.Sf_framecode Spectral_density_software _Category.ID 224 _Category.Name 'Spectral_density_software' _category.Description ; Items in the spectral_density_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 53 _Category.Category_group_name spectral_density_values _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3107 $_Spectral_density_software.Software_ID '_Spectral_density_software.Software_ID' 3112 $_Spectral_density_software.Entry_ID '_Spectral_density_software.Entry_ID' 3113 $_Spectral_density_software.Spectral_density_list_ID '_Spectral_density_software.Spectral_density_list_ID' 224 NMR-STAR stop_ save_ save__Spectral_density_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Software_ID' _Item.ID 3107 _Item.Name '_Spectral_density_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Software_label' _Item.ID 3108 _Item.Name '_Spectral_density_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_density_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Method_ID' _Item.ID 3109 _Item.Name '_Spectral_density_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Method_label' _Item.ID 3110 _Item.Name '_Spectral_density_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Spectral_density_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Sf_ID' _Item.ID 3111 _Item.Name '_Spectral_density_software.Sf_ID' _Item.Description ; Pointer to '_Spectral_density_list.Sf_ID' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Entry_ID' _Item.ID 3112 _Item.Name '_Spectral_density_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density_software.Spectral_density_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density_software.Spectral_density_list_ID' _Item.ID 3113 _Item.Name '_Spectral_density_software.Spectral_density_list_ID' _Item.Description ; Pointer to '_Spectral_density_list.ID' ; _Item.Category_ID 224 _Item.Category_label $Spectral_density_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Spectral_density _Category.Sf_category category_description _Category.Sf_framecode Spectral_density _Category.ID 225 _Category.Name 'Spectral_density' _category.Description ; Items in the spectral_density category describe the spectral density values assigned to a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 53 _Category.Category_group_name spectral_density_values _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3114 $_Spectral_density.ID '_Spectral_density.ID' 3138 $_Spectral_density.Entry_ID '_Spectral_density.Entry_ID' 3139 $_Spectral_density.Spectral_density_list_ID '_Spectral_density.Spectral_density_list_ID' 225 NMR-STAR stop_ save_ save__Spectral_density.ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.ID' _Item.ID 3114 _Item.Name '_Spectral_density.ID' _Item.Description ; Spectral density ID ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Assembly_atom_ID' _Item.ID 3115 _Item.Name '_Spectral_density.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_density.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Entity_assembly_ID' _Item.ID 3116 _Item.Name '_Spectral_density.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Entity_ID' _Item.ID 3117 _Item.Name '_Spectral_density.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Comp_index_ID' _Item.ID 3118 _Item.Name '_Spectral_density.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Seq_ID' _Item.ID 3119 _Item.Name '_Spectral_density.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Comp_ID' _Item.ID 3120 _Item.Name '_Spectral_density.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Atom_ID' _Item.ID 3121 _Item.Name '_Spectral_density.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Spectral_density.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Atom_type' _Item.ID 3122 _Item.Name '_Spectral_density.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Atom_isotope_number' _Item.ID 3123 _Item.Name '_Spectral_density.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_density.W_zero_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_zero_val' _Item.ID 3124 _Item.Name '_Spectral_density.W_zero_val' _Item.Description ; W zero val ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_zero_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_zero_val_err' _Item.ID 3125 _Item.Name '_Spectral_density.W_zero_val_err' _Item.Description ; W zero val err ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_1H_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_1H_val' _Item.ID 3126 _Item.Name '_Spectral_density.W_1H_val' _Item.Description ; W 1H val ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_1H_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_1H_val_err' _Item.ID 3127 _Item.Name '_Spectral_density.W_1H_val_err' _Item.Description ; W 1H val err ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_13C_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_13C_val' _Item.ID 3128 _Item.Name '_Spectral_density.W_13C_val' _Item.Description ; W 13C val ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_13C_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_13C_val_err' _Item.ID 3129 _Item.Name '_Spectral_density.W_13C_val_err' _Item.Description ; W 13C val err ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_15N_val _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_15N_val' _Item.ID 3130 _Item.Name '_Spectral_density.W_15N_val' _Item.Description ; W 15N val ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.W_15N_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.W_15N_val_err' _Item.ID 3131 _Item.Name '_Spectral_density.W_15N_val_err' _Item.Description ; W 15N val err ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Spectral_density.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Resonance_ID' _Item.ID 3132 _Item.Name '_Spectral_density.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Spectral_density.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Auth_entity_assembly_ID' _Item.ID 3133 _Item.Name '_Spectral_density.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_density.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Auth_seq_ID' _Item.ID 3134 _Item.Name '_Spectral_density.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_density.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Auth_comp_ID' _Item.ID 3135 _Item.Name '_Spectral_density.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_density.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Auth_atom_ID' _Item.ID 3136 _Item.Name '_Spectral_density.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Spectral_density.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Sf_ID' _Item.ID 3137 _Item.Name '_Spectral_density.Sf_ID' _Item.Description ; Pointer to '_Spectral_density_list.Sf_ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Spectral_density.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Entry_ID' _Item.ID 3138 _Item.Name '_Spectral_density.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Spectral_density.Spectral_density_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Spectral_density.Spectral_density_list_ID' _Item.ID 3139 _Item.Name '_Spectral_density.Spectral_density_list_ID' _Item.Description ; Pointer to '_Spectral_density_list.ID' ; _Item.Category_ID 225 _Item.Category_label $Spectral_density _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Other_data_type_list _Category.Sf_category category_description _Category.Sf_framecode Other_data_type_list _Category.ID 226 _Category.Name 'Other_data_type_list' _category.Description ; Items in the other_data_type_list category provide information about a list of reported data that do not fit in any of the data categories that are specifically defined in the dictionary. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 54 _Category.Category_group_name other_data_types _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3142 $_Other_data_type_list.Entry_ID '_Other_data_type_list.Entry_ID' 3144 $_Other_data_type_list.ID '_Other_data_type_list.ID' 226 NMR-STAR stop_ save_ save__Other_data_type_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Sf_category' _Item.ID 3140 _Item.Name '_Other_data_type_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data_type_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Sf_framecode' _Item.ID 3141 _Item.Name '_Other_data_type_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Other_data_type_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Entry_ID' _Item.ID 3142 _Item.Name '_Other_data_type_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data_type_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Sf_ID' _Item.ID 3143 _Item.Name '_Other_data_type_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Other_data_type_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.ID' _Item.ID 3144 _Item.Name '_Other_data_type_list.ID' _Item.Description ; A unique identifier for the list on new data values. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Other_data_type_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Name' _Item.ID 3145 _Item.Name '_Other_data_type_list.Name' _Item.Description ; Name for the kind of data values that are being reported. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Other_data_type_list.Definition _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Definition' _Item.ID 3146 _Item.Name '_Other_data_type_list.Definition' _Item.Description ; A definition for the new kind of data that are being reported. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Other_data_type_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Data_file_name' _Item.ID 3147 _Item.Name '_Other_data_type_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_data_type_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Sample_condition_list_ID' _Item.ID 3148 _Item.Name '_Other_data_type_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data_type_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Sample_condition_list_label' _Item.ID 3149 _Item.Name '_Other_data_type_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample_conditions' ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Other_data_type_list.Chem_shift_reference_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Chem_shift_reference_ID' _Item.ID 3150 _Item.Name '_Other_data_type_list.Chem_shift_reference_ID' _Item.Description ; Pointer to '_Chem_shift_reference.ID' ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data_type_list.Chem_shift_reference_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Chem_shift_reference_label' _Item.ID 3151 _Item.Name '_Other_data_type_list.Chem_shift_reference_label' _Item.Description ; Pointer to a save frame of category chem_shift_reference. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Other_data_type_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Details' _Item.ID 3152 _Item.Name '_Other_data_type_list.Details' _Item.Description ; Provide a brief description of the kind of data that is being deposited. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Other_data_type_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Text_data_format' _Item.ID 3153 _Item.Name '_Other_data_type_list.Text_data_format' _Item.Description ; The data format used to represent the data reported in this save frame as ASCII text in the text block that is the value to the '_Other_data_type.Text_data' tag. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_data_type_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_type_list.Text_data' _Item.ID 3154 _Item.Name '_Other_data_type_list.Text_data' _Item.Description ; A set of data formatted as ASCII text. ; _Item.Category_ID 226 _Item.Category_label $Other_data_type_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Other_data_experiment _Category.Sf_category category_description _Category.Sf_framecode Other_data_experiment _Category.ID 227 _Category.Name 'Other_data_experiment' _category.Description ; Items in the other_data_experiment category provide pointers to the NMR experiments and samples used to collect the data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 54 _Category.Category_group_name other_data_types _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3155 $_Other_data_experiment.Experiment_ID '_Other_data_experiment.Experiment_ID' 3161 $_Other_data_experiment.Entry_ID '_Other_data_experiment.Entry_ID' 3162 $_Other_data_experiment.Other_data_type_list_ID '_Other_data_experiment.Other_data_type_list_ID' 227 NMR-STAR stop_ save_ save__Other_data_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Experiment_ID' _Item.ID 3155 _Item.Name '_Other_data_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Experiment_name' _Item.ID 3156 _Item.Name '_Other_data_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_data_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Sample_ID' _Item.ID 3157 _Item.Name '_Other_data_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_data_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Sample_label' _Item.ID 3158 _Item.Name '_Other_data_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Other_data_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Sample_state' _Item.ID 3159 _Item.Name '_Other_data_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Other_data_experiment.Sample_state' isotropic ? 3159 227 NMR-STAR '_Other_data_experiment.Sample_state' anisotropic ? 3159 227 NMR-STAR '_Other_data_experiment.Sample_state' solid ? 3159 227 NMR-STAR stop_ save_ save__Other_data_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Sf_ID' _Item.ID 3160 _Item.Name '_Other_data_experiment.Sf_ID' _Item.Description ; Pointer to '_Other_data_type_list.Sf_ID' ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Entry_ID' _Item.ID 3161 _Item.Name '_Other_data_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data_experiment.Other_data_type_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_experiment.Other_data_type_list_ID' _Item.ID 3162 _Item.Name '_Other_data_experiment.Other_data_type_list_ID' _Item.Description ; Pointer to '_Other_data_type_list.ID' ; _Item.Category_ID 227 _Item.Category_label $Other_data_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Other_data_software _Category.Sf_category category_description _Category.Sf_framecode Other_data_software _Category.ID 228 _Category.Name 'Other_data_software' _category.Description ; Items in the other_data_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 54 _Category.Category_group_name other_data_types _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3163 $_Other_data_software.Software_ID '_Other_data_software.Software_ID' 3168 $_Other_data_software.Entry_ID '_Other_data_software.Entry_ID' 3169 $_Other_data_software.Other_data_type_list_ID '_Other_data_software.Other_data_type_list_ID' 228 NMR-STAR stop_ save_ save__Other_data_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Software_ID' _Item.ID 3163 _Item.Name '_Other_data_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Software_label' _Item.ID 3164 _Item.Name '_Other_data_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Other_data_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Method_ID' _Item.ID 3165 _Item.Name '_Other_data_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_data_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Method_label' _Item.ID 3166 _Item.Name '_Other_data_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Other_data_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Sf_ID' _Item.ID 3167 _Item.Name '_Other_data_software.Sf_ID' _Item.Description ; Pointer to '_Other_data_type_list.Sf_ID' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Entry_ID' _Item.ID 3168 _Item.Name '_Other_data_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data_software.Other_data_type_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data_software.Other_data_type_list_ID' _Item.ID 3169 _Item.Name '_Other_data_software.Other_data_type_list_ID' _Item.Description ; Pointer to '_Other_data_type_list.ID' ; _Item.Category_ID 228 _Item.Category_label $Other_data_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Other_data _Category.Sf_category category_description _Category.Sf_framecode Other_data _Category.ID 229 _Category.Name 'Other_data' _category.Description ; Items in the other_data category describe the values for kinds of experimental data not described in other categories in the dictionary. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 54 _Category.Category_group_name other_data_types _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3170 $_Other_data.ID '_Other_data.ID' 3188 $_Other_data.Entry_ID '_Other_data.Entry_ID' 3189 $_Other_data.Other_data_type_list_ID '_Other_data.Other_data_type_list_ID' 229 NMR-STAR stop_ save_ save__Other_data.ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.ID' _Item.ID 3170 _Item.Name '_Other_data.ID' _Item.Description ; A unique identifier for a reported new data value. ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Assembly_atom_ID' _Item.ID 3171 _Item.Name '_Other_data.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_data.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Entity_assembly_ID' _Item.ID 3172 _Item.Name '_Other_data.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Entity_ID' _Item.ID 3173 _Item.Name '_Other_data.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Comp_index_ID' _Item.ID 3174 _Item.Name '_Other_data.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Seq_ID' _Item.ID 3175 _Item.Name '_Other_data.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Comp_ID' _Item.ID 3176 _Item.Name '_Other_data.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Atom_ID' _Item.ID 3177 _Item.Name '_Other_data.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Other_data.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Atom_type' _Item.ID 3178 _Item.Name '_Other_data.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Atom_isotope_number' _Item.ID 3179 _Item.Name '_Other_data.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_data.Val _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Val' _Item.ID 3180 _Item.Name '_Other_data.Val' _Item.Description ; Value obtained for the kind of data observed. ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Other_data.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Val_err' _Item.ID 3181 _Item.Name '_Other_data.Val_err' _Item.Description ; Estimated error in the value obtained for the kind of data observed. ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Other_data.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Resonance_ID' _Item.ID 3182 _Item.Name '_Other_data.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_data.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Auth_entity_assembly_ID' _Item.ID 3183 _Item.Name '_Other_data.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Other_data.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Auth_seq_ID' _Item.ID 3184 _Item.Name '_Other_data.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Other_data.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Auth_comp_ID' _Item.ID 3185 _Item.Name '_Other_data.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Other_data.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Auth_atom_ID' _Item.ID 3186 _Item.Name '_Other_data.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Other_data.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Sf_ID' _Item.ID 3187 _Item.Name '_Other_data.Sf_ID' _Item.Description ; Pointer to '_Other_data_type_list.Sf_ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_data.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Entry_ID' _Item.ID 3188 _Item.Name '_Other_data.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_data.Other_data_type_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_data.Other_data_type_list_ID' _Item.ID 3189 _Item.Name '_Other_data.Other_data_type_list_ID' _Item.Description ; Pointer to '_Other_data_type_list.ID' ; _Item.Category_ID 229 _Item.Category_label $Other_data _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chemical_rate_list _Category.Sf_category category_description _Category.Sf_framecode Chemical_rate_list _Category.ID 230 _Category.Name 'Chemical_rate_list' _category.Description ; Items in the chemical_rate_list category provide information about the list of chemical rate values contained in an entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 55 _Category.Category_group_name chemical_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3192 $_Chemical_rate_list.Entry_ID '_Chemical_rate_list.Entry_ID' 3194 $_Chemical_rate_list.ID '_Chemical_rate_list.ID' 230 NMR-STAR stop_ save_ save__Chemical_rate_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Sf_category' _Item.ID 3190 _Item.Name '_Chemical_rate_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chemical_rate_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Sf_framecode' _Item.ID 3191 _Item.Name '_Chemical_rate_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Chemical_rate_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Entry_ID' _Item.ID 3192 _Item.Name '_Chemical_rate_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chemical_rate_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Sf_ID' _Item.ID 3193 _Item.Name '_Chemical_rate_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chemical_rate_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.ID' _Item.ID 3194 _Item.Name '_Chemical_rate_list.ID' _Item.Description ; A unique identifier for the list of Kinetic rate data. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Chemical_rate_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Name' _Item.ID 3195 _Item.Name '_Chemical_rate_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chemical_rate_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Data_file_name' _Item.ID 3196 _Item.Name '_Chemical_rate_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chemical_rate_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Sample_condition_list_ID' _Item.ID 3197 _Item.Name '_Chemical_rate_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Sample_condition_list_label' _Item.ID 3198 _Item.Name '_Chemical_rate_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the kinetic rates. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chemical_rate_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Details' _Item.ID 3199 _Item.Name '_Chemical_rate_list.Details' _Item.Description ; Text describing the reported kinetic rates. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Chemical_rate_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Text_data_format' _Item.ID 3200 _Item.Name '_Chemical_rate_list.Text_data_format' _Item.Description ; The data format used to represent the kinetic data as ASCII text in the text block that is the value to the '_Chemical_rate_list.Text_data' tag. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chemical_rate_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_list.Text_data' _Item.ID 3201 _Item.Name '_Chemical_rate_list.Text_data' _Item.Description ; A set of kinetic rate data formatted as ASCII text. ; _Item.Category_ID 230 _Item.Category_label $Chemical_rate_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Chemical_rate_experiment _Category.Sf_category category_description _Category.Sf_framecode Chemical_rate_experiment _Category.ID 231 _Category.Name 'Chemical_rate_experiment' _category.Description ; Items in the chemical_rate_experiment category provide pointers to the NMR or other biophysical technique experiments used to collect the data used to determine the listed chemical rate values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 55 _Category.Category_group_name chemical_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3202 $_Chemical_rate_experiment.Experiment_ID '_Chemical_rate_experiment.Experiment_ID' 3208 $_Chemical_rate_experiment.Entry_ID '_Chemical_rate_experiment.Entry_ID' 3209 $_Chemical_rate_experiment.Chemical_rate_list_ID '_Chemical_rate_experiment.Chemical_rate_list_ID' 231 NMR-STAR stop_ save_ save__Chemical_rate_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Experiment_ID' _Item.ID 3202 _Item.Name '_Chemical_rate_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Experiment_name' _Item.ID 3203 _Item.Name '_Chemical_rate_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chemical_rate_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Sample_ID' _Item.ID 3204 _Item.Name '_Chemical_rate_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Sample_label' _Item.ID 3205 _Item.Name '_Chemical_rate_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chemical_rate_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Sample_state' _Item.ID 3206 _Item.Name '_Chemical_rate_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Chemical_rate_experiment.Sample_state' anisotropic ? 3206 231 NMR-STAR '_Chemical_rate_experiment.Sample_state' isotropic ? 3206 231 NMR-STAR stop_ save_ save__Chemical_rate_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Sf_ID' _Item.ID 3207 _Item.Name '_Chemical_rate_experiment.Sf_ID' _Item.Description ; Pointer to '_Chemical_rate_list.Sf_ID' ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Entry_ID' _Item.ID 3208 _Item.Name '_Chemical_rate_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chemical_rate_experiment.Chemical_rate_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_experiment.Chemical_rate_list_ID' _Item.ID 3209 _Item.Name '_Chemical_rate_experiment.Chemical_rate_list_ID' _Item.Description ; Pointer to '_Chemical_rate_list.ID' ; _Item.Category_ID 231 _Item.Category_label $Chemical_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chemical_rate_software _Category.Sf_category category_description _Category.Sf_framecode Chemical_rate_software _Category.ID 232 _Category.Name 'Chemical_rate_software' _category.Description ; Items in the chemical_rate_software category provide pointers to the information about the software used to generate the listed chemical rate values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 55 _Category.Category_group_name chemical_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3210 $_Chemical_rate_software.Software_ID '_Chemical_rate_software.Software_ID' 3215 $_Chemical_rate_software.Entry_ID '_Chemical_rate_software.Entry_ID' 3216 $_Chemical_rate_software.Chemical_rate_list_ID '_Chemical_rate_software.Chemical_rate_list_ID' 232 NMR-STAR stop_ save_ save__Chemical_rate_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Software_ID' _Item.ID 3210 _Item.Name '_Chemical_rate_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Software_label' _Item.ID 3211 _Item.Name '_Chemical_rate_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Chemical_rate_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Method_ID' _Item.ID 3212 _Item.Name '_Chemical_rate_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Method_label' _Item.ID 3213 _Item.Name '_Chemical_rate_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Chemical_rate_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Sf_ID' _Item.ID 3214 _Item.Name '_Chemical_rate_software.Sf_ID' _Item.Description ; Pointer to '_Chemical_rate_list.Sf_ID' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Entry_ID' _Item.ID 3215 _Item.Name '_Chemical_rate_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chemical_rate_software.Chemical_rate_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate_software.Chemical_rate_list_ID' _Item.ID 3216 _Item.Name '_Chemical_rate_software.Chemical_rate_list_ID' _Item.Description ; Pointer to '_Chemical_rate_list.ID' ; _Item.Category_ID 232 _Item.Category_label $Chemical_rate_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Chemical_rate _Category.Sf_category category_description _Category.Sf_framecode Chemical_rate _Category.ID 233 _Category.Name 'Chemical_rate' _category.Description ; Items in the chemical_rate category define the reported quantitative chemical rate values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 55 _Category.Category_group_name chemical_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3217 $_Chemical_rate.ID '_Chemical_rate.ID' 3240 $_Chemical_rate.Entry_ID '_Chemical_rate.Entry_ID' 3241 $_Chemical_rate.Chemical_rate_list_ID '_Chemical_rate.Chemical_rate_list_ID' 233 NMR-STAR stop_ save_ save__Chemical_rate.ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.ID' _Item.ID 3217 _Item.Name '_Chemical_rate.ID' _Item.Description ; Unique identifier for the observed rate value. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Assembly_ID' _Item.ID 3218 _Item.Name '_Chemical_rate.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Assembly_atom_ID' _Item.ID 3219 _Item.Name '_Chemical_rate.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Entity_assembly_ID' _Item.ID 3220 _Item.Name '_Chemical_rate.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Entity_ID' _Item.ID 3221 _Item.Name '_Chemical_rate.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Comp_index_ID' _Item.ID 3222 _Item.Name '_Chemical_rate.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Seq_ID' _Item.ID 3223 _Item.Name '_Chemical_rate.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Comp_ID' _Item.ID 3224 _Item.Name '_Chemical_rate.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Atom_ID' _Item.ID 3225 _Item.Name '_Chemical_rate.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Chemical_rate.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Atom_type' _Item.ID 3226 _Item.Name '_Chemical_rate.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Atom_isotope_number' _Item.ID 3227 _Item.Name '_Chemical_rate.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate.Val_type _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Val_type' _Item.ID 3228 _Item.Name '_Chemical_rate.Val_type' _Item.Description ; The type of rate value reported ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Chemical_rate.Val _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Val' _Item.ID 3229 _Item.Name '_Chemical_rate.Val' _Item.Description ; Kinetic rate value ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chemical_rate.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Val_min' _Item.ID 3230 _Item.Name '_Chemical_rate.Val_min' _Item.Description ; Estimated minimum value for the observed rate when a specific value cannot be obtained. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chemical_rate.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Val_max' _Item.ID 3231 _Item.Name '_Chemical_rate.Val_max' _Item.Description ; Estimated maximum value for the observed rate when a specific value cannot be obtained. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chemical_rate.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Val_err' _Item.ID 3232 _Item.Name '_Chemical_rate.Val_err' _Item.Description ; Estimated error in the observed rate value. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Chemical_rate.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Val_units' _Item.ID 3233 _Item.Name '_Chemical_rate.Val_units' _Item.Description ; Units for the reported rate value. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Resonance_ID' _Item.ID 3234 _Item.Name '_Chemical_rate.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Chemical_rate.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Auth_entity_assembly_ID' _Item.ID 3235 _Item.Name '_Chemical_rate.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Auth_seq_ID' _Item.ID 3236 _Item.Name '_Chemical_rate.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Auth_comp_ID' _Item.ID 3237 _Item.Name '_Chemical_rate.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Auth_atom_ID' _Item.ID 3238 _Item.Name '_Chemical_rate.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Chemical_rate.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Sf_ID' _Item.ID 3239 _Item.Name '_Chemical_rate.Sf_ID' _Item.Description ; Pointer to '_Chemical_rate_list.Sf_ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Chemical_rate.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Entry_ID' _Item.ID 3240 _Item.Name '_Chemical_rate.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Chemical_rate.Chemical_rate_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Chemical_rate.Chemical_rate_list_ID' _Item.ID 3241 _Item.Name '_Chemical_rate.Chemical_rate_list_ID' _Item.Description ; Pointer to '_Chemical_rate_list.ID' ; _Item.Category_ID 233 _Item.Category_label $Chemical_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_exch_rate_list _Category.Sf_category category_description _Category.Sf_framecode H_exch_rate_list _Category.ID 234 _Category.Name 'H_exch_rate_list' _category.Description ; Items in the H_exch_rate_list category provide information about a list of reported hydrogen exchange rate values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 56 _Category.Category_group_name H_exch_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3244 $_H_exch_rate_list.Entry_ID '_H_exch_rate_list.Entry_ID' 3246 $_H_exch_rate_list.ID '_H_exch_rate_list.ID' 234 NMR-STAR stop_ save_ save__H_exch_rate_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Sf_category' _Item.ID 3242 _Item.Name '_H_exch_rate_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_rate_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Sf_framecode' _Item.ID 3243 _Item.Name '_H_exch_rate_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__H_exch_rate_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Entry_ID' _Item.ID 3244 _Item.Name '_H_exch_rate_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_rate_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Sf_ID' _Item.ID 3245 _Item.Name '_H_exch_rate_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__H_exch_rate_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.ID' _Item.ID 3246 _Item.Name '_H_exch_rate_list.ID' _Item.Description ; A unique identifier for the list of hydrogen exchange rate data. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__H_exch_rate_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Name' _Item.ID 3247 _Item.Name '_H_exch_rate_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_rate_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Data_file_name' _Item.ID 3248 _Item.Name '_H_exch_rate_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_rate_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Sample_condition_list_ID' _Item.ID 3249 _Item.Name '_H_exch_rate_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Sample_condition_list_label' _Item.ID 3250 _Item.Name '_H_exch_rate_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the H-exchange rates. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__H_exch_rate_list.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Val_units' _Item.ID 3251 _Item.Name '_H_exch_rate_list.Val_units' _Item.Description ; The units used for the reported hydrogen exchange rates. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_H_exch_rate_list.Val_units' s 'half-time' 3251 234 NMR-STAR '_H_exch_rate_list.Val_units' s-1 'rate' 3251 234 NMR-STAR '_H_exch_rate_list.Val_units' min 'half-time' 3251 234 NMR-STAR '_H_exch_rate_list.Val_units' min-1 'rate' 3251 234 NMR-STAR '_H_exch_rate_list.Val_units' hr 'half-time' 3251 234 NMR-STAR '_H_exch_rate_list.Val_units' hr-1 'rate' 3251 234 NMR-STAR stop_ save_ save__H_exch_rate_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Details' _Item.ID 3252 _Item.Name '_H_exch_rate_list.Details' _Item.Description ; Text describing the reported hydrogen exchange rates. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__H_exch_rate_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Text_data_format' _Item.ID 3253 _Item.Name '_H_exch_rate_list.Text_data_format' _Item.Description ; The data format used to represent the hydrogen exchange data as ASCII text in the text block that is the value to the '_H_exch_rate_list.Text_data' tag. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_rate_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_list.Text_data' _Item.ID 3254 _Item.Name '_H_exch_rate_list.Text_data' _Item.Description ; A set of hydrogen exchange rate data formatted as ASCII text. ; _Item.Category_ID 234 _Item.Category_label $H_exch_rate_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_H_exch_rate_experiment _Category.Sf_category category_description _Category.Sf_framecode H_exch_rate_experiment _Category.ID 235 _Category.Name 'H_exch_rate_experiment' _category.Description ; Items in the H_exch_rate_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported hydrogen exchange rates. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 56 _Category.Category_group_name H_exch_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3255 $_H_exch_rate_experiment.Experiment_ID '_H_exch_rate_experiment.Experiment_ID' 3261 $_H_exch_rate_experiment.Entry_ID '_H_exch_rate_experiment.Entry_ID' 3262 $_H_exch_rate_experiment.H_exch_rate_list_ID '_H_exch_rate_experiment.H_exch_rate_list_ID' 235 NMR-STAR stop_ save_ save__H_exch_rate_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Experiment_ID' _Item.ID 3255 _Item.Name '_H_exch_rate_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Experiment_name' _Item.ID 3256 _Item.Name '_H_exch_rate_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_rate_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Sample_ID' _Item.ID 3257 _Item.Name '_H_exch_rate_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_rate_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Sample_label' _Item.ID 3258 _Item.Name '_H_exch_rate_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_exch_rate_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Sample_state' _Item.ID 3259 _Item.Name '_H_exch_rate_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_H_exch_rate_experiment.Sample_state' isotropic ? 3259 235 NMR-STAR '_H_exch_rate_experiment.Sample_state' anisotropic ? 3259 235 NMR-STAR '_H_exch_rate_experiment.Sample_state' solid ? 3259 235 NMR-STAR stop_ save_ save__H_exch_rate_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Sf_ID' _Item.ID 3260 _Item.Name '_H_exch_rate_experiment.Sf_ID' _Item.Description ; Pointer to '_H_exch_rate_list.Sf_ID' ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.Entry_ID' _Item.ID 3261 _Item.Name '_H_exch_rate_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_rate_experiment.H_exch_rate_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_experiment.H_exch_rate_list_ID' _Item.ID 3262 _Item.Name '_H_exch_rate_experiment.H_exch_rate_list_ID' _Item.Description ; Pointer to '_H_exch_rate_list.ID' ; _Item.Category_ID 235 _Item.Category_label $H_exch_rate_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_exch_rate_software _Category.Sf_category category_description _Category.Sf_framecode H_exch_rate_software _Category.ID 236 _Category.Name 'H_exch_rate_software' _category.Description ; Items in the H_exch_rate_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 56 _Category.Category_group_name H_exch_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3263 $_H_exch_rate_software.Software_ID '_H_exch_rate_software.Software_ID' 3268 $_H_exch_rate_software.Entry_ID '_H_exch_rate_software.Entry_ID' 3269 $_H_exch_rate_software.H_exch_rate_list_ID '_H_exch_rate_software.H_exch_rate_list_ID' 236 NMR-STAR stop_ save_ save__H_exch_rate_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.Software_ID' _Item.ID 3263 _Item.Name '_H_exch_rate_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.Software_label' _Item.ID 3264 _Item.Name '_H_exch_rate_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__H_exch_rate_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.Method_ID' _Item.ID 3265 _Item.Name '_H_exch_rate_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_rate_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.Method_label' _Item.ID 3266 _Item.Name '_H_exch_rate_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_exch_rate_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.Sf_ID' _Item.ID 3267 _Item.Name '_H_exch_rate_software.Sf_ID' _Item.Description ; Pointer to '_H_exch_rate_list.Sf_ID' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.Entry_ID' _Item.ID 3268 _Item.Name '_H_exch_rate_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_rate_software.H_exch_rate_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate_software.H_exch_rate_list_ID' _Item.ID 3269 _Item.Name '_H_exch_rate_software.H_exch_rate_list_ID' _Item.Description ; Pointer to '_H_exch_rate_list.ID' ; _Item.Category_ID 236 _Item.Category_label $H_exch_rate_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_exch_rate _Category.Sf_category category_description _Category.Sf_framecode H_exch_rate _Category.ID 237 _Category.Name 'H_exch_rate' _category.Description ; Items in the H_exch_rate category describe the hydrogen exchange rate values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 56 _Category.Category_group_name H_exch_rates _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3270 $_H_exch_rate.ID '_H_exch_rate.ID' 3290 $_H_exch_rate.Entry_ID '_H_exch_rate.Entry_ID' 3291 $_H_exch_rate.H_exch_rate_list_ID '_H_exch_rate.H_exch_rate_list_ID' 237 NMR-STAR stop_ save_ save__H_exch_rate.ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.ID' _Item.ID 3270 _Item.Name '_H_exch_rate.ID' _Item.Description ; Unique identifier for the observed hydrogen exchange rate. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Assembly_atom_ID' _Item.ID 3271 _Item.Name '_H_exch_rate.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_rate.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Entity_assembly_ID' _Item.ID 3272 _Item.Name '_H_exch_rate.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Entity_ID' _Item.ID 3273 _Item.Name '_H_exch_rate.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Comp_index_ID' _Item.ID 3274 _Item.Name '_H_exch_rate.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Seq_ID' _Item.ID 3275 _Item.Name '_H_exch_rate.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Comp_ID' _Item.ID 3276 _Item.Name '_H_exch_rate.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_rate.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Atom_ID' _Item.ID 3277 _Item.Name '_H_exch_rate.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__H_exch_rate.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Atom_type' _Item.ID 3278 _Item.Name '_H_exch_rate.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_rate.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Atom_isotope_number' _Item.ID 3279 _Item.Name '_H_exch_rate.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_rate.Val _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Val' _Item.ID 3280 _Item.Name '_H_exch_rate.Val' _Item.Description ; Hydrogen exchange rate value ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__H_exch_rate.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Val_min' _Item.ID 3281 _Item.Name '_H_exch_rate.Val_min' _Item.Description ; Estimated minimum value for the hydrogen exchange rate when a specific value cannot be obtained. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__H_exch_rate.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Val_max' _Item.ID 3282 _Item.Name '_H_exch_rate.Val_max' _Item.Description ; Estimated maximum value for the hydrogen exchange rate when a specific value cannot be obtained. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__H_exch_rate.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Val_err' _Item.ID 3283 _Item.Name '_H_exch_rate.Val_err' _Item.Description ; Estimated error in the hydrogen exchange rate value. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'float' save_ save__H_exch_rate.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Resonance_ID' _Item.ID 3284 _Item.Name '_H_exch_rate.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_rate.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Auth_entity_assembly_ID' _Item.ID 3285 _Item.Name '_H_exch_rate.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_rate.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Auth_seq_ID' _Item.ID 3286 _Item.Name '_H_exch_rate.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_rate.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Auth_comp_ID' _Item.ID 3287 _Item.Name '_H_exch_rate.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_rate.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Auth_atom_ID' _Item.ID 3288 _Item.Name '_H_exch_rate.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_rate.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Sf_ID' _Item.ID 3289 _Item.Name '_H_exch_rate.Sf_ID' _Item.Description ; Pointer to '_H_exch_rate_list.Sf_ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_rate.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.Entry_ID' _Item.ID 3290 _Item.Name '_H_exch_rate.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_rate.H_exch_rate_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_rate.H_exch_rate_list_ID' _Item.ID 3291 _Item.Name '_H_exch_rate.H_exch_rate_list_ID' _Item.Description ; Pointer to '_H_exch_rate_list.ID' ; _Item.Category_ID 237 _Item.Category_label $H_exch_rate _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_exch_protection_factor_list _Category.Sf_category category_description _Category.Sf_framecode H_exch_protection_factor_list _Category.ID 238 _Category.Name 'H_exch_protection_factor_list' _category.Description ; Items in the H_exch_protection_factor_list category provide information about a list of reported hydrogen exchange protection factor values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 57 _Category.Category_group_name H_exch_protection_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3294 $_H_exch_protection_factor_list.Entry_ID '_H_exch_protection_factor_list.Entry_ID' 3296 $_H_exch_protection_factor_list.ID '_H_exch_protection_factor_list.ID' 238 NMR-STAR stop_ save_ save__H_exch_protection_factor_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Sf_category' _Item.ID 3292 _Item.Name '_H_exch_protection_factor_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_factor_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Sf_framecode' _Item.ID 3293 _Item.Name '_H_exch_protection_factor_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__H_exch_protection_factor_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Entry_ID' _Item.ID 3294 _Item.Name '_H_exch_protection_factor_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_factor_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Sf_ID' _Item.ID 3295 _Item.Name '_H_exch_protection_factor_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__H_exch_protection_factor_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.ID' _Item.ID 3296 _Item.Name '_H_exch_protection_factor_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of hydrogen exchange protection factor data from other save frames of this category in an entry. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__H_exch_protection_factor_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Name' _Item.ID 3297 _Item.Name '_H_exch_protection_factor_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_protection_factor_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Data_file_name' _Item.ID 3298 _Item.Name '_H_exch_protection_factor_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_protection_factor_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Sample_condition_list_ID' _Item.ID 3299 _Item.Name '_H_exch_protection_factor_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Sample_condition_list_label' _Item.ID 3300 _Item.Name '_H_exch_protection_factor_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the H-exchange protection factors. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__H_exch_protection_factor_list.Std_values_source_cit_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Std_values_source_cit_ID' _Item.ID 3301 _Item.Name '_H_exch_protection_factor_list.Std_values_source_cit_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_protection_factor_list.Std_values_source_cit_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Std_values_source_cit_label' _Item.ID 3302 _Item.Name '_H_exch_protection_factor_list.Std_values_source_cit_label' _Item.Description ; Pointer to a save frame of the category 'Citation.' this would be the citation for the method used to calculate standard hydrogen exchange rates used to determine the reported protection factors. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_exch_protection_factor_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Details' _Item.ID 3303 _Item.Name '_H_exch_protection_factor_list.Details' _Item.Description ; Text describing the reported hydrogen exchange protection factors. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__H_exch_protection_factor_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Text_data_format' _Item.ID 3304 _Item.Name '_H_exch_protection_factor_list.Text_data_format' _Item.Description ; The data format used to represent the hydrogen exchange protection factor data as ASCII text in the text block that is the value to the '_H_exch_protection_factor.Text_data' tag. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_protection_factor_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor_list.Text_data' _Item.ID 3305 _Item.Name '_H_exch_protection_factor_list.Text_data' _Item.Description ; A set of hydrogen protection factor data formatted as ASCII text. ; _Item.Category_ID 238 _Item.Category_label $H_exch_protection_factor_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_H_exch_protection_fact_experiment _Category.Sf_category category_description _Category.Sf_framecode H_exch_protection_fact_experiment _Category.ID 239 _Category.Name 'H_exch_protection_fact_experiment' _category.Description ; Items in the H_exch_protection_fact_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported hydrogen exchange protection factors. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 57 _Category.Category_group_name H_exch_protection_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3306 $_H_exch_protection_fact_experiment.Experiment_ID '_H_exch_protection_fact_experiment.Experiment_ID' 3312 $_H_exch_protection_fact_experiment.Entry_ID '_H_exch_protection_fact_experiment.Entry_ID' 3313 $_H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID '_H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID' 239 NMR-STAR stop_ save_ save__H_exch_protection_fact_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Experiment_ID' _Item.ID 3306 _Item.Name '_H_exch_protection_fact_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_fact_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Experiment_name' _Item.ID 3307 _Item.Name '_H_exch_protection_fact_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_exch_protection_fact_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Sample_ID' _Item.ID 3308 _Item.Name '_H_exch_protection_fact_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_protection_fact_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Sample_label' _Item.ID 3309 _Item.Name '_H_exch_protection_fact_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_exch_protection_fact_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Sample_state' _Item.ID 3310 _Item.Name '_H_exch_protection_fact_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_H_exch_protection_fact_experiment.Sample_state' isotropic ? 3310 239 NMR-STAR '_H_exch_protection_fact_experiment.Sample_state' anisotropic ? 3310 239 NMR-STAR '_H_exch_protection_fact_experiment.Sample_state' solid ? 3310 239 NMR-STAR stop_ save_ save__H_exch_protection_fact_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Sf_ID' _Item.ID 3311 _Item.Name '_H_exch_protection_fact_experiment.Sf_ID' _Item.Description ; Pointer to '_H_exch_protection_factor_list.Sf_ID' ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_fact_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.Entry_ID' _Item.ID 3312 _Item.Name '_H_exch_protection_fact_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID' _Item.ID 3313 _Item.Name '_H_exch_protection_fact_experiment.H_exch_protection_factor_list_ID' _Item.Description ; Pointer to '_H_exch_protection_factor_list.ID' ; _Item.Category_ID 239 _Item.Category_label $H_exch_protection_fact_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_exch_protection_fact_software _Category.Sf_category category_description _Category.Sf_framecode H_exch_protection_fact_software _Category.ID 240 _Category.Name 'H_exch_protection_fact_software' _category.Description ; Items in the H_exch_protect_fact_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 57 _Category.Category_group_name H_exch_protection_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3314 $_H_exch_protection_fact_software.Software_ID '_H_exch_protection_fact_software.Software_ID' 3319 $_H_exch_protection_fact_software.Entry_ID '_H_exch_protection_fact_software.Entry_ID' 3320 $_H_exch_protection_fact_software.H_exch_protection_factor_list_ID '_H_exch_protection_fact_software.H_exch_protection_factor_list_ID' 240 NMR-STAR stop_ save_ save__H_exch_protection_fact_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.Software_ID' _Item.ID 3314 _Item.Name '_H_exch_protection_fact_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_fact_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.Software_label' _Item.ID 3315 _Item.Name '_H_exch_protection_fact_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__H_exch_protection_fact_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.Method_ID' _Item.ID 3316 _Item.Name '_H_exch_protection_fact_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_protection_fact_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.Method_label' _Item.ID 3317 _Item.Name '_H_exch_protection_fact_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_exch_protection_fact_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.Sf_ID' _Item.ID 3318 _Item.Name '_H_exch_protection_fact_software.Sf_ID' _Item.Description ; Pointer to '_H_exch_protection_factor_list.Sf_ID' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_fact_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.Entry_ID' _Item.ID 3319 _Item.Name '_H_exch_protection_fact_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_fact_software.H_exch_protection_factor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_fact_software.H_exch_protection_factor_list_ID' _Item.ID 3320 _Item.Name '_H_exch_protection_fact_software.H_exch_protection_factor_list_ID' _Item.Description ; Pointer to '_H_exch_protection_factor_list.ID' ; _Item.Category_ID 240 _Item.Category_label $H_exch_protection_fact_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_exch_protection_factor _Category.Sf_category category_description _Category.Sf_framecode H_exch_protection_factor _Category.ID 241 _Category.Name 'H_exch_protection_factor' _category.Description ; Items in the H_exch_protection_factor category describe the hydrogen exchange protection factor values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 57 _Category.Category_group_name H_exch_protection_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3321 $_H_exch_protection_factor.ID '_H_exch_protection_factor.ID' 3340 $_H_exch_protection_factor.Entry_ID '_H_exch_protection_factor.Entry_ID' 3341 $_H_exch_protection_factor.H_exch_protection_factor_list_ID '_H_exch_protection_factor.H_exch_protection_factor_list_ID' 241 NMR-STAR stop_ save_ save__H_exch_protection_factor.ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.ID' _Item.ID 3321 _Item.Name '_H_exch_protection_factor.ID' _Item.Description ; Unique identifier for the observed hydrogen exchange protection factor. ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Assembly_atom_ID' _Item.ID 3322 _Item.Name '_H_exch_protection_factor.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_protection_factor.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Entity_assembly_ID' _Item.ID 3323 _Item.Name '_H_exch_protection_factor.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Entity_ID' _Item.ID 3324 _Item.Name '_H_exch_protection_factor.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Comp_index_ID' _Item.ID 3325 _Item.Name '_H_exch_protection_factor.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Seq_ID' _Item.ID 3326 _Item.Name '_H_exch_protection_factor.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Comp_ID' _Item.ID 3327 _Item.Name '_H_exch_protection_factor.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_factor.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Atom_ID' _Item.ID 3328 _Item.Name '_H_exch_protection_factor.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__H_exch_protection_factor.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Atom_type' _Item.ID 3329 _Item.Name '_H_exch_protection_factor.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_factor.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Atom_isotope_number' _Item.ID 3330 _Item.Name '_H_exch_protection_factor.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_protection_factor.Calculated_intrinsic_rate _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Calculated_intrinsic_rate' _Item.ID 3331 _Item.Name '_H_exch_protection_factor.Calculated_intrinsic_rate' _Item.Description ; Intrinsic hydrogen exchange rate calculated from empirical data. ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__H_exch_protection_factor.Val _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Val' _Item.ID 3332 _Item.Name '_H_exch_protection_factor.Val' _Item.Description ; Hydrogen exchange protection factor value ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__H_exch_protection_factor.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Val_err' _Item.ID 3333 _Item.Name '_H_exch_protection_factor.Val_err' _Item.Description ; Estimated error in the hydrogen exchange protection factor value ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__H_exch_protection_factor.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Resonance_ID' _Item.ID 3334 _Item.Name '_H_exch_protection_factor.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_exch_protection_factor.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Auth_entity_assembly_ID' _Item.ID 3335 _Item.Name '_H_exch_protection_factor.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_protection_factor.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Auth_seq_ID' _Item.ID 3336 _Item.Name '_H_exch_protection_factor.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_protection_factor.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Auth_comp_ID' _Item.ID 3337 _Item.Name '_H_exch_protection_factor.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_protection_factor.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Auth_atom_ID' _Item.ID 3338 _Item.Name '_H_exch_protection_factor.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_exch_protection_factor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Sf_ID' _Item.ID 3339 _Item.Name '_H_exch_protection_factor.Sf_ID' _Item.Description ; Pointer to '_H_exch_protection_factor_list.Sf_ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_exch_protection_factor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.Entry_ID' _Item.ID 3340 _Item.Name '_H_exch_protection_factor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_exch_protection_factor.H_exch_protection_factor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_exch_protection_factor.H_exch_protection_factor_list_ID' _Item.ID 3341 _Item.Name '_H_exch_protection_factor.H_exch_protection_factor_list_ID' _Item.Description ; Pointer to '_H_exch_protection_factor_list.ID' ; _Item.Category_ID 241 _Item.Category_label $H_exch_protection_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Homonucl_NOE_list _Category.Sf_category category_description _Category.Sf_framecode Homonucl_NOE_list _Category.ID 242 _Category.Name 'Homonucl_NOE_list' _category.Description ; Items in the homonucl_NOE_list category provide information about a list of reported homonuclear NOE values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 58 _Category.Category_group_name homonucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3344 $_Homonucl_NOE_list.Entry_ID '_Homonucl_NOE_list.Entry_ID' 3346 $_Homonucl_NOE_list.ID '_Homonucl_NOE_list.ID' 242 NMR-STAR stop_ save_ save__Homonucl_NOE_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Sf_category' _Item.ID 3342 _Item.Name '_Homonucl_NOE_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Sf_framecode' _Item.ID 3343 _Item.Name '_Homonucl_NOE_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Homonucl_NOE_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Entry_ID' _Item.ID 3344 _Item.Name '_Homonucl_NOE_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Sf_ID' _Item.ID 3345 _Item.Name '_Homonucl_NOE_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Homonucl_NOE_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.ID' _Item.ID 3346 _Item.Name '_Homonucl_NOE_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of homonuclear NOE data from other save frames of this category in an entry. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Homonucl_NOE_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Name' _Item.ID 3347 _Item.Name '_Homonucl_NOE_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Homonucl_NOE_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Data_file_name' _Item.ID 3348 _Item.Name '_Homonucl_NOE_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Homonucl_NOE_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Sample_condition_list_ID' _Item.ID 3349 _Item.Name '_Homonucl_NOE_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Sample_condition_list_label' _Item.ID 3350 _Item.Name '_Homonucl_NOE_list.Sample_condition_list_label' _Item.Description ; Enter the label given to the set of sample conditions used to collect the NOE data reported. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Homonucl_NOE_list.Homonuclear_NOE_val_type _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Homonuclear_NOE_val_type' _Item.ID 3351 _Item.Name '_Homonucl_NOE_list.Homonuclear_NOE_val_type' _Item.Description ; Enter the method used to measure the intensities of the NOE peaks. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Homonucl_NOE_list.Homonuclear_NOE_val_type' 'peak volume' ? 3351 242 NMR-STAR '_Homonucl_NOE_list.Homonuclear_NOE_val_type' 'peak height' ? 3351 242 NMR-STAR '_Homonucl_NOE_list.Homonuclear_NOE_val_type' 'contour count' ? 3351 242 NMR-STAR '_Homonucl_NOE_list.Homonuclear_NOE_val_type' na ? 3351 242 NMR-STAR stop_ save_ save__Homonucl_NOE_list.NOE_ref_val _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.NOE_ref_val' _Item.ID 3352 _Item.Name '_Homonucl_NOE_list.NOE_ref_val' _Item.Description ; Supply the value used to normalize the NOE intensities. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Homonucl_NOE_list.NOE_ref_description _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.NOE_ref_description' _Item.ID 3353 _Item.Name '_Homonucl_NOE_list.NOE_ref_description' _Item.Description ; Provide a brief description for the source of the NOE reference value and how the actual value was determined. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Homonucl_NOE_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Details' _Item.ID 3354 _Item.Name '_Homonucl_NOE_list.Details' _Item.Description ; Text providing additional information about the set of homonuclear NOE values and their derivation. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Homonucl_NOE_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Text_data_format' _Item.ID 3355 _Item.Name '_Homonucl_NOE_list.Text_data_format' _Item.Description ; The data format used to represent the homonuclear NOE data as ASCII text in the text block that is the value to the '_Homonucl_NOE_list.Text_data' tag. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Homonucl_NOE_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_list.Text_data' _Item.ID 3356 _Item.Name '_Homonucl_NOE_list.Text_data' _Item.Description ; A set of homonuclear NOE data formatted as ASCII text. ; _Item.Category_ID 242 _Item.Category_label $Homonucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Homonucl_NOE_experiment _Category.Sf_category category_description _Category.Sf_framecode Homonucl_NOE_experiment _Category.ID 243 _Category.Name 'Homonucl_NOE_experiment' _category.Description ; Items in the homonucl_NOE_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported homonuclear NOE values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 58 _Category.Category_group_name homonucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3357 $_Homonucl_NOE_experiment.Experiment_ID '_Homonucl_NOE_experiment.Experiment_ID' 3363 $_Homonucl_NOE_experiment.Entry_ID '_Homonucl_NOE_experiment.Entry_ID' 3364 $_Homonucl_NOE_experiment.Homonucl_NOE_list_ID '_Homonucl_NOE_experiment.Homonucl_NOE_list_ID' 243 NMR-STAR stop_ save_ save__Homonucl_NOE_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Experiment_ID' _Item.ID 3357 _Item.Name '_Homonucl_NOE_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Experiment_name' _Item.ID 3358 _Item.Name '_Homonucl_NOE_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Homonucl_NOE_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Sample_ID' _Item.ID 3359 _Item.Name '_Homonucl_NOE_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Sample_label' _Item.ID 3360 _Item.Name '_Homonucl_NOE_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Homonucl_NOE_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Sample_state' _Item.ID 3361 _Item.Name '_Homonucl_NOE_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Homonucl_NOE_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Sf_ID' _Item.ID 3362 _Item.Name '_Homonucl_NOE_experiment.Sf_ID' _Item.Description ; Pointer to '_Homonucl_NOE_list.Sf_ID' ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Entry_ID' _Item.ID 3363 _Item.Name '_Homonucl_NOE_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE_experiment.Homonucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_experiment.Homonucl_NOE_list_ID' _Item.ID 3364 _Item.Name '_Homonucl_NOE_experiment.Homonucl_NOE_list_ID' _Item.Description ; Pointer to '_Homonucl_NOE_list.ID' ; _Item.Category_ID 243 _Item.Category_label $Homonucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Homonucl_NOE_software _Category.Sf_category category_description _Category.Sf_framecode Homonucl_NOE_software _Category.ID 244 _Category.Name 'Homonucl_NOE_software' _category.Description ; Items in the homonucl_NOE_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 58 _Category.Category_group_name homonucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3365 $_Homonucl_NOE_software.Software_ID '_Homonucl_NOE_software.Software_ID' 3370 $_Homonucl_NOE_software.Entry_ID '_Homonucl_NOE_software.Entry_ID' 3371 $_Homonucl_NOE_software.Homonucl_NOE_list_ID '_Homonucl_NOE_software.Homonucl_NOE_list_ID' 244 NMR-STAR stop_ save_ save__Homonucl_NOE_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Software_ID' _Item.ID 3365 _Item.Name '_Homonucl_NOE_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Software_label' _Item.ID 3366 _Item.Name '_Homonucl_NOE_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Homonucl_NOE_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Method_ID' _Item.ID 3367 _Item.Name '_Homonucl_NOE_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Method_label' _Item.ID 3368 _Item.Name '_Homonucl_NOE_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Homonucl_NOE_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Sf_ID' _Item.ID 3369 _Item.Name '_Homonucl_NOE_software.Sf_ID' _Item.Description ; Pointer to '_Homonucl_NOE_list.Sf_ID' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Entry_ID' _Item.ID 3370 _Item.Name '_Homonucl_NOE_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE_software.Homonucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE_software.Homonucl_NOE_list_ID' _Item.ID 3371 _Item.Name '_Homonucl_NOE_software.Homonucl_NOE_list_ID' _Item.Description ; Pointer to '_Homonucl_NOE_list.ID' ; _Item.Category_ID 244 _Item.Category_label $Homonucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Homonucl_NOE _Category.Sf_category category_description _Category.Sf_framecode Homonucl_NOE _Category.ID 245 _Category.Name 'Homonucl_NOE' _category.Description ; Items in the homonucl_NOE category capture homonuclear NOE values for pairs of nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 58 _Category.Category_group_name homonucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3372 $_Homonucl_NOE.ID '_Homonucl_NOE.ID' 3406 $_Homonucl_NOE.Entry_ID '_Homonucl_NOE.Entry_ID' 3407 $_Homonucl_NOE.Homonucl_NOE_list_ID '_Homonucl_NOE.Homonucl_NOE_list_ID' 245 NMR-STAR stop_ save_ save__Homonucl_NOE.ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.ID' _Item.ID 3372 _Item.Name '_Homonucl_NOE.ID' _Item.Description ; Unique identifier for the observed homonuclear NOE. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Assembly_atom_ID_1' _Item.ID 3373 _Item.Name '_Homonucl_NOE.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Entity_assembly_ID_1' _Item.ID 3374 _Item.Name '_Homonucl_NOE.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Entity_ID_1' _Item.ID 3375 _Item.Name '_Homonucl_NOE.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Comp_index_ID_1' _Item.ID 3376 _Item.Name '_Homonucl_NOE.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Seq_ID_1' _Item.ID 3377 _Item.Name '_Homonucl_NOE.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Comp_ID_1' _Item.ID 3378 _Item.Name '_Homonucl_NOE.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Atom_ID_1' _Item.ID 3379 _Item.Name '_Homonucl_NOE.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Homonucl_NOE.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Atom_type_1' _Item.ID 3380 _Item.Name '_Homonucl_NOE.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Atom_isotope_number_1' _Item.ID 3381 _Item.Name '_Homonucl_NOE.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Assembly_atom_ID_2' _Item.ID 3382 _Item.Name '_Homonucl_NOE.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Entity_assembly_ID_2' _Item.ID 3383 _Item.Name '_Homonucl_NOE.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Entity_ID_2' _Item.ID 3384 _Item.Name '_Homonucl_NOE.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Comp_index_ID_2' _Item.ID 3385 _Item.Name '_Homonucl_NOE.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Seq_ID_2' _Item.ID 3386 _Item.Name '_Homonucl_NOE.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Comp_ID_2' _Item.ID 3387 _Item.Name '_Homonucl_NOE.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Atom_ID_2' _Item.ID 3388 _Item.Name '_Homonucl_NOE.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Homonucl_NOE.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Atom_type_2' _Item.ID 3389 _Item.Name '_Homonucl_NOE.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Atom_isotope_number_2' _Item.ID 3390 _Item.Name '_Homonucl_NOE.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE.Val _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Val' _Item.ID 3391 _Item.Name '_Homonucl_NOE.Val' _Item.Description ; Homonuclear NOE value ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Homonucl_NOE.Val_min _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Val_min' _Item.ID 3392 _Item.Name '_Homonucl_NOE.Val_min' _Item.Description ; Minimum homonuclear NOE value ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Homonucl_NOE.Val_max _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Val_max' _Item.ID 3393 _Item.Name '_Homonucl_NOE.Val_max' _Item.Description ; Maximum homonuclear NOE value ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Homonucl_NOE.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Val_err' _Item.ID 3394 _Item.Name '_Homonucl_NOE.Val_err' _Item.Description ; Estimated error in the homonuclear NOE value. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Homonucl_NOE.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Resonance_ID_1' _Item.ID 3395 _Item.Name '_Homonucl_NOE.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Resonance_ID_2' _Item.ID 3396 _Item.Name '_Homonucl_NOE.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Homonucl_NOE.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_entity_assembly_ID_1' _Item.ID 3397 _Item.Name '_Homonucl_NOE.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_seq_ID_1' _Item.ID 3398 _Item.Name '_Homonucl_NOE.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_comp_ID_1' _Item.ID 3399 _Item.Name '_Homonucl_NOE.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_atom_ID_1' _Item.ID 3400 _Item.Name '_Homonucl_NOE.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_entity_assembly_ID_2' _Item.ID 3401 _Item.Name '_Homonucl_NOE.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_seq_ID_2' _Item.ID 3402 _Item.Name '_Homonucl_NOE.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_comp_ID_2' _Item.ID 3403 _Item.Name '_Homonucl_NOE.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Auth_atom_ID_2' _Item.ID 3404 _Item.Name '_Homonucl_NOE.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Homonucl_NOE.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Sf_ID' _Item.ID 3405 _Item.Name '_Homonucl_NOE.Sf_ID' _Item.Description ; Pointer to '_Homonucl_NOE_list.Sf_ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Homonucl_NOE.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Entry_ID' _Item.ID 3406 _Item.Name '_Homonucl_NOE.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Homonucl_NOE.Homonucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Homonucl_NOE.Homonucl_NOE_list_ID' _Item.ID 3407 _Item.Name '_Homonucl_NOE.Homonucl_NOE_list_ID' _Item.Description ; Pointer to '_Homonucl_NOE_list.ID' ; _Item.Category_ID 245 _Item.Category_label $Homonucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_NOE_list _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_NOE_list _Category.ID 246 _Category.Name 'Heteronucl_NOE_list' _category.Description ; Items in the heteronucl_NOE_list category provide information about a list of reported heteronuclear NOE values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 59 _Category.Category_group_name heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3410 $_Heteronucl_NOE_list.Entry_ID '_Heteronucl_NOE_list.Entry_ID' 3412 $_Heteronucl_NOE_list.ID '_Heteronucl_NOE_list.ID' 246 NMR-STAR stop_ save_ save__Heteronucl_NOE_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Sf_category' _Item.ID 3408 _Item.Name '_Heteronucl_NOE_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Sf_framecode' _Item.ID 3409 _Item.Name '_Heteronucl_NOE_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Heteronucl_NOE_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Entry_ID' _Item.ID 3410 _Item.Name '_Heteronucl_NOE_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Sf_ID' _Item.ID 3411 _Item.Name '_Heteronucl_NOE_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_NOE_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.ID' _Item.ID 3412 _Item.Name '_Heteronucl_NOE_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of heteronuclear NOE data from other save frames of this category in an entry. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_NOE_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Name' _Item.ID 3413 _Item.Name '_Heteronucl_NOE_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_NOE_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Data_file_name' _Item.ID 3414 _Item.Name '_Heteronucl_NOE_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_NOE_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Sample_condition_list_ID' _Item.ID 3415 _Item.Name '_Heteronucl_NOE_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Sample_condition_list_label' _Item.ID 3416 _Item.Name '_Heteronucl_NOE_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample conditions' ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_NOE_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Spectrometer_frequency_1H' _Item.ID 3417 _Item.Name '_Heteronucl_NOE_list.Spectrometer_frequency_1H' _Item.Description ; Operating frequency of the spectrometer used to collect the heteronuclear NOE data reported as the 1H frequency in MHz. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Heteronucl_NOE_list.Heteronuclear_NOE_val_type _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' _Item.ID 3418 _Item.Name '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' _Item.Description ; A keyword that defines the type of value reported as the heteronuclear NOE. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'peak height' ? 3418 246 NMR-STAR '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'peak integral' ? 3418 246 NMR-STAR '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'contour count' ? 3418 246 NMR-STAR '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'relative intensities' ? 3418 246 NMR-STAR '_Heteronucl_NOE_list.Heteronuclear_NOE_val_type' na ? 3418 246 NMR-STAR stop_ save_ save__Heteronucl_NOE_list.NOE_ref_val _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.NOE_ref_val' _Item.ID 3419 _Item.Name '_Heteronucl_NOE_list.NOE_ref_val' _Item.Description ; Value used to calibrate other NOE measurements ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Heteronucl_NOE_list.NOE_ref_description _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.NOE_ref_description' _Item.ID 3420 _Item.Name '_Heteronucl_NOE_list.NOE_ref_description' _Item.Description ; Brief text describing the NOE ref value used and how it was derived. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Heteronucl_NOE_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Details' _Item.ID 3421 _Item.Name '_Heteronucl_NOE_list.Details' _Item.Description ; Text providing additional information about the data reported. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Heteronucl_NOE_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Text_data_format' _Item.ID 3422 _Item.Name '_Heteronucl_NOE_list.Text_data_format' _Item.Description ; The data format used to represent the heteronuclear NOE data as ASCII text in the text block that is the value to the '_Heteronucl_NOE_list.Text_data' tag. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_NOE_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_list.Text_data' _Item.ID 3423 _Item.Name '_Heteronucl_NOE_list.Text_data' _Item.Description ; A set of heteronuclear NOE data formatted as ASCII text. ; _Item.Category_ID 246 _Item.Category_label $Heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Heteronucl_NOE_experiment _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_NOE_experiment _Category.ID 247 _Category.Name 'Heteronucl_NOE_experiment' _category.Description ; Items in the heteronucl_NOE_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear NOE values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 59 _Category.Category_group_name heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3424 $_Heteronucl_NOE_experiment.Experiment_ID '_Heteronucl_NOE_experiment.Experiment_ID' 3430 $_Heteronucl_NOE_experiment.Entry_ID '_Heteronucl_NOE_experiment.Entry_ID' 3431 $_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID '_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID' 247 NMR-STAR stop_ save_ save__Heteronucl_NOE_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Experiment_ID' _Item.ID 3424 _Item.Name '_Heteronucl_NOE_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Experiment_name' _Item.ID 3425 _Item.Name '_Heteronucl_NOE_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_NOE_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Sample_ID' _Item.ID 3426 _Item.Name '_Heteronucl_NOE_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Sample_label' _Item.ID 3427 _Item.Name '_Heteronucl_NOE_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_NOE_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Sample_state' _Item.ID 3428 _Item.Name '_Heteronucl_NOE_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_NOE_experiment.Sample_state' isotropic ? 3428 247 NMR-STAR '_Heteronucl_NOE_experiment.Sample_state' anisotropic ? 3428 247 NMR-STAR '_Heteronucl_NOE_experiment.Sample_state' solid ? 3428 247 NMR-STAR stop_ save_ save__Heteronucl_NOE_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Sf_ID' _Item.ID 3429 _Item.Name '_Heteronucl_NOE_experiment.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_NOE_list.Sf_ID' ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Entry_ID' _Item.ID 3430 _Item.Name '_Heteronucl_NOE_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID' _Item.ID 3431 _Item.Name '_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID' _Item.Description ; Pointer to '_Heteronucl_NOE_list.ID' ; _Item.Category_ID 247 _Item.Category_label $Heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_NOE_software _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_NOE_software _Category.ID 248 _Category.Name 'Heteronucl_NOE_software' _category.Description ; Items in the heteronucl_NOE_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 59 _Category.Category_group_name heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3432 $_Heteronucl_NOE_software.Software_ID '_Heteronucl_NOE_software.Software_ID' 3437 $_Heteronucl_NOE_software.Entry_ID '_Heteronucl_NOE_software.Entry_ID' 3438 $_Heteronucl_NOE_software.Heteronucl_NOE_list_ID '_Heteronucl_NOE_software.Heteronucl_NOE_list_ID' 248 NMR-STAR stop_ save_ save__Heteronucl_NOE_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Software_ID' _Item.ID 3432 _Item.Name '_Heteronucl_NOE_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Software_label' _Item.ID 3433 _Item.Name '_Heteronucl_NOE_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_NOE_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Method_ID' _Item.ID 3434 _Item.Name '_Heteronucl_NOE_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Method_label' _Item.ID 3435 _Item.Name '_Heteronucl_NOE_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_NOE_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Sf_ID' _Item.ID 3436 _Item.Name '_Heteronucl_NOE_software.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_NOE_list.Sf_ID' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Entry_ID' _Item.ID 3437 _Item.Name '_Heteronucl_NOE_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE_software.Heteronucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE_software.Heteronucl_NOE_list_ID' _Item.ID 3438 _Item.Name '_Heteronucl_NOE_software.Heteronucl_NOE_list_ID' _Item.Description ; Pointer to '_Heteronucl_NOE_list.ID' ; _Item.Category_ID 248 _Item.Category_label $Heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_NOE _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_NOE _Category.ID 249 _Category.Name 'Heteronucl_NOE' _category.Description ; Items in the heteronucl_NOE category capture heteronuclear NOE values for pairs of nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 59 _Category.Category_group_name heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3439 $_Heteronucl_NOE.ID '_Heteronucl_NOE.ID' 3471 $_Heteronucl_NOE.Entry_ID '_Heteronucl_NOE.Entry_ID' 3472 $_Heteronucl_NOE.Heteronucl_NOE_list_ID '_Heteronucl_NOE.Heteronucl_NOE_list_ID' 249 NMR-STAR stop_ save_ save__Heteronucl_NOE.ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.ID' _Item.ID 3439 _Item.Name '_Heteronucl_NOE.ID' _Item.Description ; Unique identifier for the reported heteronuclear NOE value in this set of heteronuclear NOE values. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Assembly_atom_ID_1' _Item.ID 3440 _Item.Name '_Heteronucl_NOE.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Entity_assembly_ID_1' _Item.ID 3441 _Item.Name '_Heteronucl_NOE.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Entity_ID_1' _Item.ID 3442 _Item.Name '_Heteronucl_NOE.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Comp_index_ID_1' _Item.ID 3443 _Item.Name '_Heteronucl_NOE.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Seq_ID_1' _Item.ID 3444 _Item.Name '_Heteronucl_NOE.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Comp_ID_1' _Item.ID 3445 _Item.Name '_Heteronucl_NOE.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Atom_ID_1' _Item.ID 3446 _Item.Name '_Heteronucl_NOE.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Heteronucl_NOE.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Atom_type_1' _Item.ID 3447 _Item.Name '_Heteronucl_NOE.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Atom_isotope_number_1' _Item.ID 3448 _Item.Name '_Heteronucl_NOE.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Assembly_atom_ID_2' _Item.ID 3449 _Item.Name '_Heteronucl_NOE.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Entity_assembly_ID_2' _Item.ID 3450 _Item.Name '_Heteronucl_NOE.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Entity_ID_2' _Item.ID 3451 _Item.Name '_Heteronucl_NOE.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Comp_index_ID_2' _Item.ID 3452 _Item.Name '_Heteronucl_NOE.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Seq_ID_2' _Item.ID 3453 _Item.Name '_Heteronucl_NOE.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Comp_ID_2' _Item.ID 3454 _Item.Name '_Heteronucl_NOE.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Atom_ID_2' _Item.ID 3455 _Item.Name '_Heteronucl_NOE.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Heteronucl_NOE.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Atom_type_2' _Item.ID 3456 _Item.Name '_Heteronucl_NOE.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Atom_isotope_number_2' _Item.ID 3457 _Item.Name '_Heteronucl_NOE.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE.Val _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Val' _Item.ID 3458 _Item.Name '_Heteronucl_NOE.Val' _Item.Description ; Heteronuclear NOE value ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Heteronucl_NOE.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Val_err' _Item.ID 3459 _Item.Name '_Heteronucl_NOE.Val_err' _Item.Description ; Estimated error in the heteronuclear NOE value ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Heteronucl_NOE.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Resonance_ID_1' _Item.ID 3460 _Item.Name '_Heteronucl_NOE.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Resonance_ID_2' _Item.ID 3461 _Item.Name '_Heteronucl_NOE.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_NOE.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_entity_assembly_ID_1' _Item.ID 3462 _Item.Name '_Heteronucl_NOE.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_seq_ID_1' _Item.ID 3463 _Item.Name '_Heteronucl_NOE.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_comp_ID_1' _Item.ID 3464 _Item.Name '_Heteronucl_NOE.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_atom_ID_1' _Item.ID 3465 _Item.Name '_Heteronucl_NOE.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_entity_assembly_ID_2' _Item.ID 3466 _Item.Name '_Heteronucl_NOE.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_seq_ID_2' _Item.ID 3467 _Item.Name '_Heteronucl_NOE.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_comp_ID_2' _Item.ID 3468 _Item.Name '_Heteronucl_NOE.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Auth_atom_ID_2' _Item.ID 3469 _Item.Name '_Heteronucl_NOE.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Heteronucl_NOE.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Sf_ID' _Item.ID 3470 _Item.Name '_Heteronucl_NOE.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_NOE_list.Sf_ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_NOE.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Entry_ID' _Item.ID 3471 _Item.Name '_Heteronucl_NOE.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_NOE.Heteronucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_NOE.Heteronucl_NOE_list_ID' _Item.ID 3472 _Item.Name '_Heteronucl_NOE.Heteronucl_NOE_list_ID' _Item.Description ; Pointer to '_Heteronucl_NOE_list.ID' ; _Item.Category_ID 249 _Item.Category_label $Heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_NOE_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_NOE_list _Category.ID 250 _Category.Name 'Theoretical_heteronucl_NOE_list' _category.Description ; Items in the theoretical_heteronucl_NOE_list category provide information about a list of reported theoretical heteronuclear NOE values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 60 _Category.Category_group_name theoretical_heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3475 $_Theoretical_heteronucl_NOE_list.Entry_ID '_Theoretical_heteronucl_NOE_list.Entry_ID' 3477 $_Theoretical_heteronucl_NOE_list.ID '_Theoretical_heteronucl_NOE_list.ID' 250 NMR-STAR stop_ save_ save__Theoretical_heteronucl_NOE_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Sf_category' _Item.ID 3473 _Item.Name '_Theoretical_heteronucl_NOE_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Sf_framecode' _Item.ID 3474 _Item.Name '_Theoretical_heteronucl_NOE_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_heteronucl_NOE_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Entry_ID' _Item.ID 3475 _Item.Name '_Theoretical_heteronucl_NOE_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Sf_ID' _Item.ID 3476 _Item.Name '_Theoretical_heteronucl_NOE_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_heteronucl_NOE_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.ID' _Item.ID 3477 _Item.Name '_Theoretical_heteronucl_NOE_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of theoretical heteronuclear NOE data from other save frames of this category in an entry. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_heteronucl_NOE_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Name' _Item.ID 3478 _Item.Name '_Theoretical_heteronucl_NOE_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_NOE_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Data_file_name' _Item.ID 3479 _Item.Name '_Theoretical_heteronucl_NOE_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_NOE_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Sample_condition_list_ID' _Item.ID 3480 _Item.Name '_Theoretical_heteronucl_NOE_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Sample_condition_list_label' _Item.ID 3481 _Item.Name '_Theoretical_heteronucl_NOE_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample conditions' ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H' _Item.ID 3482 _Item.Name '_Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H' _Item.Description ; Operating frequency of the spectrometer used to collect the theoretical heteronuclear NOE data reported as the 1H frequency in MHz. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' _Item.ID 3483 _Item.Name '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' _Item.Description ; A keyword that defines the type of value reported as the theoretical heteronuclear NOE. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'peak height' ? 3483 250 NMR-STAR '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'peak integral' ? 3483 250 NMR-STAR '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'contour count' ? 3483 250 NMR-STAR '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' 'relative intensities' ? 3483 250 NMR-STAR '_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type' na ? 3483 250 NMR-STAR stop_ save_ save__Theoretical_heteronucl_NOE_list.NOE_ref_val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.NOE_ref_val' _Item.ID 3484 _Item.Name '_Theoretical_heteronucl_NOE_list.NOE_ref_val' _Item.Description ; Value used to calibrate other NOE measurements ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_heteronucl_NOE_list.NOE_ref_description _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.NOE_ref_description' _Item.ID 3485 _Item.Name '_Theoretical_heteronucl_NOE_list.NOE_ref_description' _Item.Description ; Brief text describing the NOE ref value used and how it was derived. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_heteronucl_NOE_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Details' _Item.ID 3486 _Item.Name '_Theoretical_heteronucl_NOE_list.Details' _Item.Description ; Text providing additional information about the data reported. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_heteronucl_NOE_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Text_data_format' _Item.ID 3487 _Item.Name '_Theoretical_heteronucl_NOE_list.Text_data_format' _Item.Description ; The data format used to represent the theoretical heteronuclear NOE data as ASCII text in the text block that is the value to the '_Theoretical_heteronucl_NOE_list.Text_data' tag. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_NOE_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_list.Text_data' _Item.ID 3488 _Item.Name '_Theoretical_heteronucl_NOE_list.Text_data' _Item.Description ; A set of theoretical heteronuclear NOE data formatted as ASCII text. ; _Item.Category_ID 250 _Item.Category_label $Theoretical_heteronucl_NOE_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_heteronucl_NOE_experiment _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_NOE_experiment _Category.ID 251 _Category.Name 'Theoretical_heteronucl_NOE_experiment' _category.Description ; Items in the theoretical_heteronucl_NOE_experiment category may provide pointers to NMR experiments and samples modeled to generate the data for a set of reported theoretical heteronuclear NOE values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 60 _Category.Category_group_name theoretical_heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3489 $_Theoretical_heteronucl_NOE_experiment.Experiment_ID '_Theoretical_heteronucl_NOE_experiment.Experiment_ID' 3495 $_Theoretical_heteronucl_NOE_experiment.Entry_ID '_Theoretical_heteronucl_NOE_experiment.Entry_ID' 3496 $_Theoretical_heteronucl_NOE_experiment.Theoretical_heteronucl_NOE_list_ID '_Theoretical_heteronucl_NOE_experiment.Theoretical_heteronucl_NOE_list_ID' 251 NMR-STAR stop_ save_ save__Theoretical_heteronucl_NOE_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Experiment_ID' _Item.ID 3489 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Experiment_name' _Item.ID 3490 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_NOE_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Sample_ID' _Item.ID 3491 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Sample_label' _Item.ID 3492 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_NOE_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Sample_state' _Item.ID 3493 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_NOE_experiment.Sample_state' isotropic ? 3493 251 NMR-STAR '_Theoretical_heteronucl_NOE_experiment.Sample_state' anisotropic ? 3493 251 NMR-STAR '_Theoretical_heteronucl_NOE_experiment.Sample_state' solid ? 3493 251 NMR-STAR stop_ save_ save__Theoretical_heteronucl_NOE_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Sf_ID' _Item.ID 3494 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_NOE_list.Sf_ID' ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Entry_ID' _Item.ID 3495 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE_experiment.Theoretical_heteronucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_experiment.Theoretical_heteronucl_NOE_list_ID' _Item.ID 3496 _Item.Name '_Theoretical_heteronucl_NOE_experiment.Theoretical_heteronucl_NOE_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_NOE_list.ID' ; _Item.Category_ID 251 _Item.Category_label $Theoretical_heteronucl_NOE_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_NOE_software _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_NOE_software _Category.ID 252 _Category.Name 'Theoretical_heteronucl_NOE_software' _category.Description ; Items in the theoretical_heteronucl_NOE_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical heteronuclear NOE values can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 60 _Category.Category_group_name theoretical_heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3497 $_Theoretical_heteronucl_NOE_software.Software_ID '_Theoretical_heteronucl_NOE_software.Software_ID' 3502 $_Theoretical_heteronucl_NOE_software.Entry_ID '_Theoretical_heteronucl_NOE_software.Entry_ID' 3503 $_Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID '_Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID' 252 NMR-STAR stop_ save_ save__Theoretical_heteronucl_NOE_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Software_ID' _Item.ID 3497 _Item.Name '_Theoretical_heteronucl_NOE_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Software_label' _Item.ID 3498 _Item.Name '_Theoretical_heteronucl_NOE_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_NOE_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Method_ID' _Item.ID 3499 _Item.Name '_Theoretical_heteronucl_NOE_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Method_label' _Item.ID 3500 _Item.Name '_Theoretical_heteronucl_NOE_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_NOE_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Sf_ID' _Item.ID 3501 _Item.Name '_Theoretical_heteronucl_NOE_software.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_NOE_list.Sf_ID' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Entry_ID' _Item.ID 3502 _Item.Name '_Theoretical_heteronucl_NOE_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID' _Item.ID 3503 _Item.Name '_Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_NOE_list.ID' ; _Item.Category_ID 252 _Item.Category_label $Theoretical_heteronucl_NOE_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_NOE _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_NOE _Category.ID 253 _Category.Name 'Theoretical_heteronucl_NOE' _category.Description ; Items in the theoretical_heteronucl_NOE category capture theoretical heteronuclear NOE values for pairs of nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 60 _Category.Category_group_name theoretical_heteronucl_NOEs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3504 $_Theoretical_heteronucl_NOE.ID '_Theoretical_heteronucl_NOE.ID' 3536 $_Theoretical_heteronucl_NOE.Entry_ID '_Theoretical_heteronucl_NOE.Entry_ID' 3537 $_Theoretical_heteronucl_NOE.Theoretical_heteronucl_NOE_list_ID '_Theoretical_heteronucl_NOE.Theoretical_heteronucl_NOE_list_ID' 253 NMR-STAR stop_ save_ save__Theoretical_heteronucl_NOE.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.ID' _Item.ID 3504 _Item.Name '_Theoretical_heteronucl_NOE.ID' _Item.Description ; Unique identifier for the reported theoretical heteronuclear NOE value in this set of theoretical heteronuclear NOE values. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Assembly_atom_ID_1' _Item.ID 3505 _Item.Name '_Theoretical_heteronucl_NOE.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Entity_assembly_ID_1' _Item.ID 3506 _Item.Name '_Theoretical_heteronucl_NOE.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Entity_ID_1' _Item.ID 3507 _Item.Name '_Theoretical_heteronucl_NOE.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Comp_index_ID_1' _Item.ID 3508 _Item.Name '_Theoretical_heteronucl_NOE.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Seq_ID_1' _Item.ID 3509 _Item.Name '_Theoretical_heteronucl_NOE.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Comp_ID_1' _Item.ID 3510 _Item.Name '_Theoretical_heteronucl_NOE.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Atom_ID_1' _Item.ID 3511 _Item.Name '_Theoretical_heteronucl_NOE.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_heteronucl_NOE.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Atom_type_1' _Item.ID 3512 _Item.Name '_Theoretical_heteronucl_NOE.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Atom_isotope_number_1' _Item.ID 3513 _Item.Name '_Theoretical_heteronucl_NOE.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Assembly_atom_ID_2' _Item.ID 3514 _Item.Name '_Theoretical_heteronucl_NOE.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Entity_assembly_ID_2' _Item.ID 3515 _Item.Name '_Theoretical_heteronucl_NOE.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Entity_ID_2' _Item.ID 3516 _Item.Name '_Theoretical_heteronucl_NOE.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Comp_index_ID_2' _Item.ID 3517 _Item.Name '_Theoretical_heteronucl_NOE.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Seq_ID_2' _Item.ID 3518 _Item.Name '_Theoretical_heteronucl_NOE.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Comp_ID_2' _Item.ID 3519 _Item.Name '_Theoretical_heteronucl_NOE.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Atom_ID_2' _Item.ID 3520 _Item.Name '_Theoretical_heteronucl_NOE.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_heteronucl_NOE.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Atom_type_2' _Item.ID 3521 _Item.Name '_Theoretical_heteronucl_NOE.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Atom_isotope_number_2' _Item.ID 3522 _Item.Name '_Theoretical_heteronucl_NOE.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Val' _Item.ID 3523 _Item.Name '_Theoretical_heteronucl_NOE.Val' _Item.Description ; Theoretical heteronuclear NOE value ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_heteronucl_NOE.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Val_err' _Item.ID 3524 _Item.Name '_Theoretical_heteronucl_NOE.Val_err' _Item.Description ; Estimated error in the theoretical heteronuclear NOE value ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_heteronucl_NOE.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Resonance_ID_1' _Item.ID 3525 _Item.Name '_Theoretical_heteronucl_NOE.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Resonance_ID_2' _Item.ID 3526 _Item.Name '_Theoretical_heteronucl_NOE.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_entity_assembly_ID_1' _Item.ID 3527 _Item.Name '_Theoretical_heteronucl_NOE.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_seq_ID_1' _Item.ID 3528 _Item.Name '_Theoretical_heteronucl_NOE.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_comp_ID_1' _Item.ID 3529 _Item.Name '_Theoretical_heteronucl_NOE.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_atom_ID_1' _Item.ID 3530 _Item.Name '_Theoretical_heteronucl_NOE.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_entity_assembly_ID_2' _Item.ID 3531 _Item.Name '_Theoretical_heteronucl_NOE.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_seq_ID_2' _Item.ID 3532 _Item.Name '_Theoretical_heteronucl_NOE.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_comp_ID_2' _Item.ID 3533 _Item.Name '_Theoretical_heteronucl_NOE.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Auth_atom_ID_2' _Item.ID 3534 _Item.Name '_Theoretical_heteronucl_NOE.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Sf_ID' _Item.ID 3535 _Item.Name '_Theoretical_heteronucl_NOE.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_NOE_list.Sf_ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_NOE.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Entry_ID' _Item.ID 3536 _Item.Name '_Theoretical_heteronucl_NOE.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_NOE.Theoretical_heteronucl_NOE_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_NOE.Theoretical_heteronucl_NOE_list_ID' _Item.ID 3537 _Item.Name '_Theoretical_heteronucl_NOE.Theoretical_heteronucl_NOE_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_NOE_list.ID' ; _Item.Category_ID 253 _Item.Category_label $Theoretical_heteronucl_NOE _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_T1_list _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T1_list _Category.ID 254 _Category.Name 'Heteronucl_T1_list' _category.Description ; Items in the heteronucl_T1_list category provide information about a list of reported heteronuclear T1 relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 61 _Category.Category_group_name heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3540 $_Heteronucl_T1_list.Entry_ID '_Heteronucl_T1_list.Entry_ID' 3542 $_Heteronucl_T1_list.ID '_Heteronucl_T1_list.ID' 254 NMR-STAR stop_ save_ save__Heteronucl_T1_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Sf_category' _Item.ID 3538 _Item.Name '_Heteronucl_T1_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Sf_framecode' _Item.ID 3539 _Item.Name '_Heteronucl_T1_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Heteronucl_T1_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Entry_ID' _Item.ID 3540 _Item.Name '_Heteronucl_T1_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Sf_ID' _Item.ID 3541 _Item.Name '_Heteronucl_T1_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_T1_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.ID' _Item.ID 3542 _Item.Name '_Heteronucl_T1_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of heteronuclear T1 data from other save frames of this category in an entry. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_T1_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Name' _Item.ID 3543 _Item.Name '_Heteronucl_T1_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Data_file_name' _Item.ID 3544 _Item.Name '_Heteronucl_T1_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Sample_condition_list_ID' _Item.ID 3545 _Item.Name '_Heteronucl_T1_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Sample_condition_list_label' _Item.ID 3546 _Item.Name '_Heteronucl_T1_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the heteronuclear T1 relaxation values. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_T1_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Spectrometer_frequency_1H' _Item.ID 3547 _Item.Name '_Heteronucl_T1_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Heteronucl_T1_list.T1_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.T1_coherence_type' _Item.ID 3548 _Item.Name '_Heteronucl_T1_list.T1_coherence_type' _Item.Description ; A code describing the nuclei involved in the measured T1 coherence. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1_list.T1_coherence_type' Iz ? 3548 254 NMR-STAR '_Heteronucl_T1_list.T1_coherence_type' Sz ? 3548 254 NMR-STAR stop_ save_ save__Heteronucl_T1_list.T1_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.T1_val_units' _Item.ID 3549 _Item.Name '_Heteronucl_T1_list.T1_val_units' _Item.Description ; The units used for the reported T1 relaxation values. This will define the form of the reported data as either time or rate. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1_list.T1_val_units' s ? 3549 254 NMR-STAR '_Heteronucl_T1_list.T1_val_units' s-1 ? 3549 254 NMR-STAR '_Heteronucl_T1_list.T1_val_units' ms ? 3549 254 NMR-STAR '_Heteronucl_T1_list.T1_val_units' ms-1 ? 3549 254 NMR-STAR stop_ save_ save__Heteronucl_T1_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Details' _Item.ID 3550 _Item.Name '_Heteronucl_T1_list.Details' _Item.Description ; Text describing the reported heteronuclear T1 relaxation data. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Heteronucl_T1_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Text_data_format' _Item.ID 3551 _Item.Name '_Heteronucl_T1_list.Text_data_format' _Item.Description ; The data format used to represent the heteronuclear T1 relaxation data as ASCII text in the text block that is the value to the '_Heteronucl_T1_list.Text_data' tag. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_list.Text_data' _Item.ID 3552 _Item.Name '_Heteronucl_T1_list.Text_data' _Item.Description ; A set of heteronuclear T1 relaxation data formatted as ASCII text. ; _Item.Category_ID 254 _Item.Category_label $Heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Heteronucl_T1_experiment _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T1_experiment _Category.ID 255 _Category.Name 'Heteronucl_T1_experiment' _category.Description ; Items in the heteronucl_T1_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear T1 values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 61 _Category.Category_group_name heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3553 $_Heteronucl_T1_experiment.Experiment_ID '_Heteronucl_T1_experiment.Experiment_ID' 3559 $_Heteronucl_T1_experiment.Entry_ID '_Heteronucl_T1_experiment.Entry_ID' 3560 $_Heteronucl_T1_experiment.Heteronucl_T1_list_ID '_Heteronucl_T1_experiment.Heteronucl_T1_list_ID' 255 NMR-STAR stop_ save_ save__Heteronucl_T1_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Experiment_ID' _Item.ID 3553 _Item.Name '_Heteronucl_T1_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Experiment_name' _Item.ID 3554 _Item.Name '_Heteronucl_T1_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Sample_ID' _Item.ID 3555 _Item.Name '_Heteronucl_T1_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_T1_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Sample_label' _Item.ID 3556 _Item.Name '_Heteronucl_T1_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_T1_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Sample_state' _Item.ID 3557 _Item.Name '_Heteronucl_T1_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1_experiment.Sample_state' isotropic ? 3557 255 NMR-STAR '_Heteronucl_T1_experiment.Sample_state' anisotropic ? 3557 255 NMR-STAR '_Heteronucl_T1_experiment.Sample_state' solid ? 3557 255 NMR-STAR stop_ save_ save__Heteronucl_T1_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Sf_ID' _Item.ID 3558 _Item.Name '_Heteronucl_T1_experiment.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T1_list.Sf_ID' ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Entry_ID' _Item.ID 3559 _Item.Name '_Heteronucl_T1_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1_experiment.Heteronucl_T1_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_experiment.Heteronucl_T1_list_ID' _Item.ID 3560 _Item.Name '_Heteronucl_T1_experiment.Heteronucl_T1_list_ID' _Item.Description ; Pointer to '_Heteronucl_T1_list.ID' ; _Item.Category_ID 255 _Item.Category_label $Heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_T1_software _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T1_software _Category.ID 256 _Category.Name 'Heteronucl_T1_software' _category.Description ; Items in the heteronucl_T1_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 61 _Category.Category_group_name heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3561 $_Heteronucl_T1_software.Software_ID '_Heteronucl_T1_software.Software_ID' 3566 $_Heteronucl_T1_software.Entry_ID '_Heteronucl_T1_software.Entry_ID' 3567 $_Heteronucl_T1_software.Heteronucl_T1_list_ID '_Heteronucl_T1_software.Heteronucl_T1_list_ID' 256 NMR-STAR stop_ save_ save__Heteronucl_T1_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Software_ID' _Item.ID 3561 _Item.Name '_Heteronucl_T1_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Software_label' _Item.ID 3562 _Item.Name '_Heteronucl_T1_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_T1_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Method_ID' _Item.ID 3563 _Item.Name '_Heteronucl_T1_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_T1_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Method_label' _Item.ID 3564 _Item.Name '_Heteronucl_T1_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_T1_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Sf_ID' _Item.ID 3565 _Item.Name '_Heteronucl_T1_software.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T1_list.Sf_ID' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Entry_ID' _Item.ID 3566 _Item.Name '_Heteronucl_T1_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1_software.Heteronucl_T1_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1_software.Heteronucl_T1_list_ID' _Item.ID 3567 _Item.Name '_Heteronucl_T1_software.Heteronucl_T1_list_ID' _Item.Description ; Pointer to '_Heteronucl_T1_list.ID' ; _Item.Category_ID 256 _Item.Category_label $Heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_T1 _Category.Sf_category category_description _Category.Sf_framecode T1 _Category.ID 257 _Category.Name 'T1' _category.Description ; Items in the T1 category capture T1 relaxation values for defined nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 61 _Category.Category_group_name heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3568 $_T1.ID '_T1.ID' 3586 $_T1.Entry_ID '_T1.Entry_ID' 3587 $_T1.Heteronucl_T1_list_ID '_T1.Heteronucl_T1_list_ID' 257 NMR-STAR stop_ save_ save__T1.ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.ID' _Item.ID 3568 _Item.Name '_T1.ID' _Item.Description ; Unique identifier for the observed T1 relaxation value. ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Assembly_atom_ID' _Item.ID 3569 _Item.Name '_T1.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T1.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Entity_assembly_ID' _Item.ID 3570 _Item.Name '_T1.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Entity_ID' _Item.ID 3571 _Item.Name '_T1.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Comp_index_ID' _Item.ID 3572 _Item.Name '_T1.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Seq_ID' _Item.ID 3573 _Item.Name '_T1.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Comp_ID' _Item.ID 3574 _Item.Name '_T1.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T1.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Atom_ID' _Item.ID 3575 _Item.Name '_T1.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__T1.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_T1.Atom_type' _Item.ID 3576 _Item.Name '_T1.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T1.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_T1.Atom_isotope_number' _Item.ID 3577 _Item.Name '_T1.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T1.Val _Item.Sf_category item_description _Item.Sf_framecode '_T1.Val' _Item.ID 3578 _Item.Name '_T1.Val' _Item.Description ; The T1 relaxation value. ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__T1.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_T1.Val_err' _Item.ID 3579 _Item.Name '_T1.Val_err' _Item.Description ; The estimated error in the reported T1 relaxation value. ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T1.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Resonance_ID' _Item.ID 3580 _Item.Name '_T1.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T1.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Auth_entity_assembly_ID' _Item.ID 3581 _Item.Name '_T1.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Auth_seq_ID' _Item.ID 3582 _Item.Name '_T1.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Auth_comp_ID' _Item.ID 3583 _Item.Name '_T1.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Auth_atom_ID' _Item.ID 3584 _Item.Name '_T1.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Sf_ID' _Item.ID 3585 _Item.Name '_T1.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T1_list.Sf_ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Entry_ID' _Item.ID 3586 _Item.Name '_T1.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T1.Heteronucl_T1_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1.Heteronucl_T1_list_ID' _Item.ID 3587 _Item.Name '_T1.Heteronucl_T1_list_ID' _Item.Description ; Pointer to '_Heteronucl_T1_list.ID' ; _Item.Category_ID 257 _Item.Category_label $T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_T1_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_T1_list _Category.ID 258 _Category.Name 'Theoretical_heteronucl_T1_list' _category.Description ; Items in the theoretical_heteronucl_T1_list category provide information about a list of reported theoretical heteronuclear T1 relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 62 _Category.Category_group_name theoretical_heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3590 $_Theoretical_heteronucl_T1_list.Entry_ID '_Theoretical_heteronucl_T1_list.Entry_ID' 3592 $_Theoretical_heteronucl_T1_list.ID '_Theoretical_heteronucl_T1_list.ID' 258 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T1_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Sf_category' _Item.ID 3588 _Item.Name '_Theoretical_heteronucl_T1_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T1_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Sf_framecode' _Item.ID 3589 _Item.Name '_Theoretical_heteronucl_T1_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_heteronucl_T1_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Entry_ID' _Item.ID 3590 _Item.Name '_Theoretical_heteronucl_T1_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T1_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Sf_ID' _Item.ID 3591 _Item.Name '_Theoretical_heteronucl_T1_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_heteronucl_T1_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.ID' _Item.ID 3592 _Item.Name '_Theoretical_heteronucl_T1_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of theoretical heteronuclear T1 data from other save frames of this category in an entry. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_heteronucl_T1_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Name' _Item.ID 3593 _Item.Name '_Theoretical_heteronucl_T1_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T1_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Data_file_name' _Item.ID 3594 _Item.Name '_Theoretical_heteronucl_T1_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T1_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Sample_condition_list_ID' _Item.ID 3595 _Item.Name '_Theoretical_heteronucl_T1_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Sample_condition_list_label' _Item.ID 3596 _Item.Name '_Theoretical_heteronucl_T1_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the theoretical heteronuclear T1 relaxation values. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T1_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Spectrometer_frequency_1H' _Item.ID 3597 _Item.Name '_Theoretical_heteronucl_T1_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_heteronucl_T1_list.T1_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.T1_coherence_type' _Item.ID 3598 _Item.Name '_Theoretical_heteronucl_T1_list.T1_coherence_type' _Item.Description ; A code describing the nuclei involved in the measured T1 coherence. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T1_list.T1_coherence_type' Iz 'zero quantum, longitudinal' 3598 258 NMR-STAR '_Theoretical_heteronucl_T1_list.T1_coherence_type' Sz 'zero quantum, longitudinal' 3598 258 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T1_list.T1_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.T1_val_units' _Item.ID 3599 _Item.Name '_Theoretical_heteronucl_T1_list.T1_val_units' _Item.Description ; The units used for the reported T1 relaxation values. This will define the form of the reported data as either time or rate. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T1_list.T1_val_units' s ? 3599 258 NMR-STAR '_Theoretical_heteronucl_T1_list.T1_val_units' s-1 ? 3599 258 NMR-STAR '_Theoretical_heteronucl_T1_list.T1_val_units' ms ? 3599 258 NMR-STAR '_Theoretical_heteronucl_T1_list.T1_val_units' ms-1 ? 3599 258 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T1_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Details' _Item.ID 3600 _Item.Name '_Theoretical_heteronucl_T1_list.Details' _Item.Description ; Text describing the reported theoretical heteronuclear T1 relaxation data. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_heteronucl_T1_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Text_data_format' _Item.ID 3601 _Item.Name '_Theoretical_heteronucl_T1_list.Text_data_format' _Item.Description ; The data format used to represent the theoretical heteronuclear T1 relaxation data as ASCII text in the text block that is the value to the '_Theoretical_heteronucl_T1_list.Text_data' tag. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T1_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_list.Text_data' _Item.ID 3602 _Item.Name '_Theoretical_heteronucl_T1_list.Text_data' _Item.Description ; A set of theoretical heteronuclear T1 relaxation data formatted as ASCII text. ; _Item.Category_ID 258 _Item.Category_label $Theoretical_heteronucl_T1_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_heteronucl_T1_experiment _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_T1_experiment _Category.ID 259 _Category.Name 'Theoretical_heteronucl_T1_experiment' _category.Description ; Items in the theoretical_heteronucl_T1_experiment category may provide pointers to the NMR experiments and samples modeled to generate the data for a set of reported theoretical heteronuclear T1 values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 62 _Category.Category_group_name theoretical_heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3603 $_Theoretical_heteronucl_T1_experiment.Experiment_ID '_Theoretical_heteronucl_T1_experiment.Experiment_ID' 3609 $_Theoretical_heteronucl_T1_experiment.Entry_ID '_Theoretical_heteronucl_T1_experiment.Entry_ID' 3610 $_Theoretical_heteronucl_T1_experiment.Theoretical_heteronucl_T1_list_ID '_Theoretical_heteronucl_T1_experiment.Theoretical_heteronucl_T1_list_ID' 259 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T1_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Experiment_ID' _Item.ID 3603 _Item.Name '_Theoretical_heteronucl_T1_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Experiment_name' _Item.ID 3604 _Item.Name '_Theoretical_heteronucl_T1_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T1_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Sample_ID' _Item.ID 3605 _Item.Name '_Theoretical_heteronucl_T1_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Sample_label' _Item.ID 3606 _Item.Name '_Theoretical_heteronucl_T1_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T1_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Sample_state' _Item.ID 3607 _Item.Name '_Theoretical_heteronucl_T1_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T1_experiment.Sample_state' isotropic ? 3607 259 NMR-STAR '_Theoretical_heteronucl_T1_experiment.Sample_state' anisotropic ? 3607 259 NMR-STAR '_Theoretical_heteronucl_T1_experiment.Sample_state' solid ? 3607 259 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T1_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Sf_ID' _Item.ID 3608 _Item.Name '_Theoretical_heteronucl_T1_experiment.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T1_list.Sf_ID' ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Entry_ID' _Item.ID 3609 _Item.Name '_Theoretical_heteronucl_T1_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T1_experiment.Theoretical_heteronucl_T1_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_experiment.Theoretical_heteronucl_T1_list_ID' _Item.ID 3610 _Item.Name '_Theoretical_heteronucl_T1_experiment.Theoretical_heteronucl_T1_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T1_list.ID' ; _Item.Category_ID 259 _Item.Category_label $Theoretical_heteronucl_T1_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_T1_software _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_T1_software _Category.ID 260 _Category.Name 'Theoretical_heteronucl_T1_software' _category.Description ; Items in the theoretical_heteronucl_T1_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical data can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 62 _Category.Category_group_name theoretical_heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3611 $_Theoretical_heteronucl_T1_software.Software_ID '_Theoretical_heteronucl_T1_software.Software_ID' 3616 $_Theoretical_heteronucl_T1_software.Entry_ID '_Theoretical_heteronucl_T1_software.Entry_ID' 3617 $_Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID '_Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID' 260 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T1_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Software_ID' _Item.ID 3611 _Item.Name '_Theoretical_heteronucl_T1_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Software_label' _Item.ID 3612 _Item.Name '_Theoretical_heteronucl_T1_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T1_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Method_ID' _Item.ID 3613 _Item.Name '_Theoretical_heteronucl_T1_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Method_label' _Item.ID 3614 _Item.Name '_Theoretical_heteronucl_T1_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T1_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Sf_ID' _Item.ID 3615 _Item.Name '_Theoretical_heteronucl_T1_software.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T1_list.Sf_ID' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T1_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Entry_ID' _Item.ID 3616 _Item.Name '_Theoretical_heteronucl_T1_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID' _Item.ID 3617 _Item.Name '_Theoretical_heteronucl_T1_software.Theoretical_heteronucl_T1_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T1_list.ID' ; _Item.Category_ID 260 _Item.Category_label $Theoretical_heteronucl_T1_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_T1 _Category.Sf_category category_description _Category.Sf_framecode Theoretical_T1 _Category.ID 261 _Category.Name 'Theoretical_T1' _category.Description ; Items in the theoretical_T1 category capture theoretical T1 relaxation values for defined nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 62 _Category.Category_group_name theoretical_heteronucl_T1_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3618 $_Theoretical_T1.ID '_Theoretical_T1.ID' 3636 $_Theoretical_T1.Entry_ID '_Theoretical_T1.Entry_ID' 3637 $_Theoretical_T1.Theoretical_heteronucl_T1_list_ID '_Theoretical_T1.Theoretical_heteronucl_T1_list_ID' 261 NMR-STAR stop_ save_ save__Theoretical_T1.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.ID' _Item.ID 3618 _Item.Name '_Theoretical_T1.ID' _Item.Description ; Unique identifier for the observed T1 relaxation value. ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T1.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Assembly_atom_ID' _Item.ID 3619 _Item.Name '_Theoretical_T1.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_T1.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Entity_assembly_ID' _Item.ID 3620 _Item.Name '_Theoretical_T1.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T1.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Entity_ID' _Item.ID 3621 _Item.Name '_Theoretical_T1.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T1.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Comp_index_ID' _Item.ID 3622 _Item.Name '_Theoretical_T1.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T1.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Seq_ID' _Item.ID 3623 _Item.Name '_Theoretical_T1.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T1.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Comp_ID' _Item.ID 3624 _Item.Name '_Theoretical_T1.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_T1.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Atom_ID' _Item.ID 3625 _Item.Name '_Theoretical_T1.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_T1.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Atom_type' _Item.ID 3626 _Item.Name '_Theoretical_T1.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_T1.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Atom_isotope_number' _Item.ID 3627 _Item.Name '_Theoretical_T1.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_T1.Val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Val' _Item.ID 3628 _Item.Name '_Theoretical_T1.Val' _Item.Description ; The T1 relaxation value. ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_T1.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Val_err' _Item.ID 3629 _Item.Name '_Theoretical_T1.Val_err' _Item.Description ; The estimated error in the reported T1 relaxation value. ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_T1.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Resonance_ID' _Item.ID 3630 _Item.Name '_Theoretical_T1.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_T1.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Auth_entity_assembly_ID' _Item.ID 3631 _Item.Name '_Theoretical_T1.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T1.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Auth_seq_ID' _Item.ID 3632 _Item.Name '_Theoretical_T1.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T1.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Auth_comp_ID' _Item.ID 3633 _Item.Name '_Theoretical_T1.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T1.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Auth_atom_ID' _Item.ID 3634 _Item.Name '_Theoretical_T1.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T1.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Sf_ID' _Item.ID 3635 _Item.Name '_Theoretical_T1.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T1_list.Sf_ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T1.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Entry_ID' _Item.ID 3636 _Item.Name '_Theoretical_T1.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_T1.Theoretical_heteronucl_T1_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T1.Theoretical_heteronucl_T1_list_ID' _Item.ID 3637 _Item.Name '_Theoretical_T1.Theoretical_heteronucl_T1_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T1_list.ID' ; _Item.Category_ID 261 _Item.Category_label $Theoretical_T1 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_T1rho_list _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T1rho_list _Category.ID 262 _Category.Name 'Heteronucl_T1rho_list' _category.Description ; Items in the heteronucl_T1rho_list category provide information about a list of reported heteronuclear T1rho values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 63 _Category.Category_group_name heteronucl_T1rho_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3640 $_Heteronucl_T1rho_list.Entry_ID '_Heteronucl_T1rho_list.Entry_ID' 3642 $_Heteronucl_T1rho_list.ID '_Heteronucl_T1rho_list.ID' 262 NMR-STAR stop_ save_ save__Heteronucl_T1rho_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Sf_category' _Item.ID 3638 _Item.Name '_Heteronucl_T1rho_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1rho_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Sf_framecode' _Item.ID 3639 _Item.Name '_Heteronucl_T1rho_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Heteronucl_T1rho_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Entry_ID' _Item.ID 3640 _Item.Name '_Heteronucl_T1rho_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1rho_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Sf_ID' _Item.ID 3641 _Item.Name '_Heteronucl_T1rho_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_T1rho_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.ID' _Item.ID 3642 _Item.Name '_Heteronucl_T1rho_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of heteronuclear T1rho data from other save frames of this category in an entry. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_T1rho_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Name' _Item.ID 3643 _Item.Name '_Heteronucl_T1rho_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1rho_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Data_file_name' _Item.ID 3644 _Item.Name '_Heteronucl_T1rho_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1rho_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Sample_condition_list_ID' _Item.ID 3645 _Item.Name '_Heteronucl_T1rho_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1rho_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Sample_condition_list_label' _Item.ID 3646 _Item.Name '_Heteronucl_T1rho_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the heteronuclear T1rho relaxation values. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_T1rho_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Spectrometer_frequency_1H' _Item.ID 3647 _Item.Name '_Heteronucl_T1rho_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Heteronucl_T1rho_list.Temp_calibration_method _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Temp_calibration_method' _Item.ID 3648 _Item.Name '_Heteronucl_T1rho_list.Temp_calibration_method' _Item.Description ; Method used to calibrate the temperature unit on the NMR spectrometer used to collect the experimental data. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1rho_list.Temp_calibration_method' methanol ? 3648 262 NMR-STAR '_Heteronucl_T1rho_list.Temp_calibration_method' 'monoethylene glycol' ? 3648 262 NMR-STAR '_Heteronucl_T1rho_list.Temp_calibration_method' 'solid lead nitrate" .' ? 3648 262 NMR-STAR '_Heteronucl_T1rho_list.Temp_calibration_method' . ? 3648 262 NMR-STAR '_Heteronucl_T1rho_list.Temp_calibration_method' 'no calibration applied' ? 3648 262 NMR-STAR stop_ save_ save__Heteronucl_T1rho_list.Temp_control_method _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Temp_control_method' _Item.ID 3649 _Item.Name '_Heteronucl_T1rho_list.Temp_control_method' _Item.Description ; Method used to control the temperature of the sample to eliminate heating caused by the long spin-lock pulse. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1rho_list.Temp_control_method' 'single scan interleaving' ? 3649 262 NMR-STAR '_Heteronucl_T1rho_list.Temp_control_method' 'temperature compensation block' ? 3649 262 NMR-STAR '_Heteronucl_T1rho_list.Temp_control_method' 'no temperature control applied' ? 3649 262 NMR-STAR stop_ save_ save__Heteronucl_T1rho_list.T1rho_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.T1rho_coherence_type' _Item.ID 3650 _Item.Name '_Heteronucl_T1rho_list.T1rho_coherence_type' _Item.Description ; A code describing the nuclei involved in the measured T1rho coherence. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1rho_list.T1rho_coherence_type' I(+,-) 'single quantum' 3650 262 NMR-STAR '_Heteronucl_T1rho_list.T1rho_coherence_type' S(+,-) 'single quantum' 3650 262 NMR-STAR stop_ save_ save__Heteronucl_T1rho_list.T1rho_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.T1rho_val_units' _Item.ID 3651 _Item.Name '_Heteronucl_T1rho_list.T1rho_val_units' _Item.Description ; The units used for the reported T1rho relaxation values. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1rho_list.T1rho_val_units' s-1 ? 3651 262 NMR-STAR '_Heteronucl_T1rho_list.T1rho_val_units' ms-1 ? 3651 262 NMR-STAR '_Heteronucl_T1rho_list.T1rho_val_units' s ? 3651 262 NMR-STAR '_Heteronucl_T1rho_list.T1rho_val_units' ms ? 3651 262 NMR-STAR stop_ save_ save__Heteronucl_T1rho_list.Rex_units _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Rex_units' _Item.ID 3652 _Item.Name '_Heteronucl_T1rho_list.Rex_units' _Item.Description ; The units used for the reported R exchange values. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1rho_list.Rex_units' s-1 ? 3652 262 NMR-STAR '_Heteronucl_T1rho_list.Rex_units' ms-1 ? 3652 262 NMR-STAR '_Heteronucl_T1rho_list.Rex_units' us-1 ? 3652 262 NMR-STAR stop_ save_ save__Heteronucl_T1rho_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Details' _Item.ID 3653 _Item.Name '_Heteronucl_T1rho_list.Details' _Item.Description ; Text describing the reported heteronuclear Trho relaxation data. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Heteronucl_T1rho_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Text_data_format' _Item.ID 3654 _Item.Name '_Heteronucl_T1rho_list.Text_data_format' _Item.Description ; The data format used to represent the heteronuclear T1rho relaxation data as ASCII text in the text block that is the value to the '_Heteronucl_T1rho.Text_data' tag. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1rho_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_list.Text_data' _Item.ID 3655 _Item.Name '_Heteronucl_T1rho_list.Text_data' _Item.Description ; A set of heteronuclear T1rho relaxation data formatted as ASCII text. ; _Item.Category_ID 262 _Item.Category_label $Heteronucl_T1rho_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Heteronucl_T1rho_experiment _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T1rho_experiment _Category.ID 263 _Category.Name 'Heteronucl_T1rho_experiment' _category.Description ; Items in the heteronucl_T1rho_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear T1rho values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 63 _Category.Category_group_name heteronucl_T1rho_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3656 $_Heteronucl_T1rho_experiment.Experiment_ID '_Heteronucl_T1rho_experiment.Experiment_ID' 3662 $_Heteronucl_T1rho_experiment.Entry_ID '_Heteronucl_T1rho_experiment.Entry_ID' 3663 $_Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID '_Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID' 263 NMR-STAR stop_ save_ save__Heteronucl_T1rho_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Experiment_ID' _Item.ID 3656 _Item.Name '_Heteronucl_T1rho_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1rho_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Experiment_name' _Item.ID 3657 _Item.Name '_Heteronucl_T1rho_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T1rho_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Sample_ID' _Item.ID 3658 _Item.Name '_Heteronucl_T1rho_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_T1rho_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Sample_label' _Item.ID 3659 _Item.Name '_Heteronucl_T1rho_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_T1rho_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Sample_state' _Item.ID 3660 _Item.Name '_Heteronucl_T1rho_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T1rho_experiment.Sample_state' isotropic ? 3660 263 NMR-STAR '_Heteronucl_T1rho_experiment.Sample_state' anisotropic ? 3660 263 NMR-STAR '_Heteronucl_T1rho_experiment.Sample_state' solid ? 3660 263 NMR-STAR stop_ save_ save__Heteronucl_T1rho_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Sf_ID' _Item.ID 3661 _Item.Name '_Heteronucl_T1rho_experiment.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T1rho_list.Sf_ID' ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1rho_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Entry_ID' _Item.ID 3662 _Item.Name '_Heteronucl_T1rho_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID' _Item.ID 3663 _Item.Name '_Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID' _Item.Description ; Pointer to '_Heteronucl_T1rho_list.ID' ; _Item.Category_ID 263 _Item.Category_label $Heteronucl_T1rho_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_T1rho_software _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T1rho_software _Category.ID 264 _Category.Name 'Heteronucl_T1rho_software' _category.Description ; Items in the heteronucl_T1rho_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 63 _Category.Category_group_name heteronucl_T1rho_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3664 $_Heteronucl_T1rho_software.Software_ID '_Heteronucl_T1rho_software.Software_ID' 3669 $_Heteronucl_T1rho_software.Entry_ID '_Heteronucl_T1rho_software.Entry_ID' 3670 $_Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID '_Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID' 264 NMR-STAR stop_ save_ save__Heteronucl_T1rho_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Software_ID' _Item.ID 3664 _Item.Name '_Heteronucl_T1rho_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1rho_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Software_label' _Item.ID 3665 _Item.Name '_Heteronucl_T1rho_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_T1rho_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Method_ID' _Item.ID 3666 _Item.Name '_Heteronucl_T1rho_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_T1rho_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Method_label' _Item.ID 3667 _Item.Name '_Heteronucl_T1rho_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_T1rho_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Sf_ID' _Item.ID 3668 _Item.Name '_Heteronucl_T1rho_software.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T1rho_list.Sf_ID' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T1rho_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Entry_ID' _Item.ID 3669 _Item.Name '_Heteronucl_T1rho_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID' _Item.ID 3670 _Item.Name '_Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID' _Item.Description ; Pointer to '_Heteronucl_T1rho_list.ID' ; _Item.Category_ID 264 _Item.Category_label $Heteronucl_T1rho_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_T1rho _Category.Sf_category category_description _Category.Sf_framecode T1rho _Category.ID 265 _Category.Name 'T1rho' _category.Description ; Items in the T1rho category capture T1rho relaxation values for defined nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 63 _Category.Category_group_name heteronucl_T1rho_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3671 $_T1rho.ID '_T1rho.ID' 3691 $_T1rho.Entry_ID '_T1rho.Entry_ID' 3692 $_T1rho.Heteronucl_T1rho_list_ID '_T1rho.Heteronucl_T1rho_list_ID' 265 NMR-STAR stop_ save_ save__T1rho.ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.ID' _Item.ID 3671 _Item.Name '_T1rho.ID' _Item.Description ; Unique identifier for the observed T1rho relaxation value. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1rho.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Assembly_atom_ID' _Item.ID 3672 _Item.Name '_T1rho.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T1rho.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Entity_assembly_ID' _Item.ID 3673 _Item.Name '_T1rho.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1rho.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Entity_ID' _Item.ID 3674 _Item.Name '_T1rho.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1rho.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Comp_index_ID' _Item.ID 3675 _Item.Name '_T1rho.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1rho.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Seq_ID' _Item.ID 3676 _Item.Name '_T1rho.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1rho.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Comp_ID' _Item.ID 3677 _Item.Name '_T1rho.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T1rho.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Atom_ID' _Item.ID 3678 _Item.Name '_T1rho.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__T1rho.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Atom_type' _Item.ID 3679 _Item.Name '_T1rho.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T1rho.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Atom_isotope_number' _Item.ID 3680 _Item.Name '_T1rho.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T1rho.T1rho_val _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.T1rho_val' _Item.ID 3681 _Item.Name '_T1rho.T1rho_val' _Item.Description ; The T1rho relaxation value. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__T1rho.T1rho_val_err _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.T1rho_val_err' _Item.ID 3682 _Item.Name '_T1rho.T1rho_val_err' _Item.Description ; The estimated error in the reported T1rho relaxation value. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T1rho.Rex_val _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Rex_val' _Item.ID 3683 _Item.Name '_T1rho.Rex_val' _Item.Description ; The exchange broadening contribution value. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T1rho.Rex_val_err _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Rex_val_err' _Item.ID 3684 _Item.Name '_T1rho.Rex_val_err' _Item.Description ; The estimated error in the fitted exchange broadening contribution value. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T1rho.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Resonance_ID' _Item.ID 3685 _Item.Name '_T1rho.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T1rho.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Auth_entity_assembly_ID' _Item.ID 3686 _Item.Name '_T1rho.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1rho.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Auth_seq_ID' _Item.ID 3687 _Item.Name '_T1rho.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1rho.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Auth_comp_ID' _Item.ID 3688 _Item.Name '_T1rho.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1rho.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Auth_atom_ID' _Item.ID 3689 _Item.Name '_T1rho.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T1rho.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Sf_ID' _Item.ID 3690 _Item.Name '_T1rho.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T1rho_list.Sf_ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T1rho.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Entry_ID' _Item.ID 3691 _Item.Name '_T1rho.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T1rho.Heteronucl_T1rho_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_T1rho.Heteronucl_T1rho_list_ID' _Item.ID 3692 _Item.Name '_T1rho.Heteronucl_T1rho_list_ID' _Item.Description ; Pointer to '_Heteronucl_T1rho_list.ID' ; _Item.Category_ID 265 _Item.Category_label $T1rho _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_T2_list _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T2_list _Category.ID 266 _Category.Name 'Heteronucl_T2_list' _category.Description ; Items in the heteronucl_T2_list category provide information about a list of reported heteronuclear T2 relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 64 _Category.Category_group_name heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3695 $_Heteronucl_T2_list.Entry_ID '_Heteronucl_T2_list.Entry_ID' 3697 $_Heteronucl_T2_list.ID '_Heteronucl_T2_list.ID' 266 NMR-STAR stop_ save_ save__Heteronucl_T2_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Sf_category' _Item.ID 3693 _Item.Name '_Heteronucl_T2_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T2_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Sf_framecode' _Item.ID 3694 _Item.Name '_Heteronucl_T2_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Heteronucl_T2_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Entry_ID' _Item.ID 3695 _Item.Name '_Heteronucl_T2_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T2_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Sf_ID' _Item.ID 3696 _Item.Name '_Heteronucl_T2_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_T2_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.ID' _Item.ID 3697 _Item.Name '_Heteronucl_T2_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of heteronuclear T2 data from other save frames of this category in an entry. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Heteronucl_T2_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Name' _Item.ID 3698 _Item.Name '_Heteronucl_T2_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T2_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Data_file_name' _Item.ID 3699 _Item.Name '_Heteronucl_T2_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T2_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Sample_condition_list_ID' _Item.ID 3700 _Item.Name '_Heteronucl_T2_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T2_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Sample_condition_list_label' _Item.ID 3701 _Item.Name '_Heteronucl_T2_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the heteronuclear T2 relaxation values. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_T2_list.Temp_calibration_method _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Temp_calibration_method' _Item.ID 3702 _Item.Name '_Heteronucl_T2_list.Temp_calibration_method' _Item.Description ; Method used to calibrate the temperature unit on the NMR spectrometer used to collect the experimental data. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T2_list.Temp_calibration_method' methanol ? 3702 266 NMR-STAR '_Heteronucl_T2_list.Temp_calibration_method' 'monoethylene glycol' ? 3702 266 NMR-STAR '_Heteronucl_T2_list.Temp_calibration_method' 'solid lead nitrate" .' ? 3702 266 NMR-STAR '_Heteronucl_T2_list.Temp_calibration_method' . ? 3702 266 NMR-STAR '_Heteronucl_T2_list.Temp_calibration_method' 'no calibration applied' ? 3702 266 NMR-STAR stop_ save_ save__Heteronucl_T2_list.Temp_control_method _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Temp_control_method' _Item.ID 3703 _Item.Name '_Heteronucl_T2_list.Temp_control_method' _Item.Description ; Method used to control the temperature of the sample to eliminate heating caused by the long spin-lock pulse. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T2_list.Temp_control_method' 'single scan interleaving' ? 3703 266 NMR-STAR '_Heteronucl_T2_list.Temp_control_method' 'temperature compensation block' ? 3703 266 NMR-STAR '_Heteronucl_T2_list.Temp_control_method' 'single scan interleaving and temperature compensation block' ? 3703 266 NMR-STAR '_Heteronucl_T2_list.Temp_control_method' 'no temperature control applied' ? 3703 266 NMR-STAR stop_ save_ save__Heteronucl_T2_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Spectrometer_frequency_1H' _Item.ID 3704 _Item.Name '_Heteronucl_T2_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Heteronucl_T2_list.T2_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.T2_coherence_type' _Item.ID 3705 _Item.Name '_Heteronucl_T2_list.T2_coherence_type' _Item.Description ; A code describing the nuclei involved in the measured T2 coherence. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T2_list.T2_coherence_type' I(+,-) 'single quantum' 3705 266 NMR-STAR '_Heteronucl_T2_list.T2_coherence_type' S(+,-) 'single quantum' 3705 266 NMR-STAR stop_ save_ save__Heteronucl_T2_list.T2_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.T2_val_units' _Item.ID 3706 _Item.Name '_Heteronucl_T2_list.T2_val_units' _Item.Description ; The units used for the reported T2 relaxation values. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T2_list.T2_val_units' s-1 ? 3706 266 NMR-STAR '_Heteronucl_T2_list.T2_val_units' ms-1 ? 3706 266 NMR-STAR '_Heteronucl_T2_list.T2_val_units' s ? 3706 266 NMR-STAR '_Heteronucl_T2_list.T2_val_units' ms ? 3706 266 NMR-STAR stop_ save_ save__Heteronucl_T2_list.Rex_units _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Rex_units' _Item.ID 3707 _Item.Name '_Heteronucl_T2_list.Rex_units' _Item.Description ; The units used for the reported R exchange values. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T2_list.Rex_units' s-1 ? 3707 266 NMR-STAR '_Heteronucl_T2_list.Rex_units' ms-1 ? 3707 266 NMR-STAR '_Heteronucl_T2_list.Rex_units' us-1 ? 3707 266 NMR-STAR stop_ save_ save__Heteronucl_T2_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Details' _Item.ID 3708 _Item.Name '_Heteronucl_T2_list.Details' _Item.Description ; Text describing the reported heteronuclear T2 relaxation data. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Heteronucl_T2_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Text_data_format' _Item.ID 3709 _Item.Name '_Heteronucl_T2_list.Text_data_format' _Item.Description ; The data format used to represent the heteronuclear T2 relaxation data as ASCII text in the text block that is the value to the '_Heteronucl_T2_list.Text_data' tag. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T2_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_list.Text_data' _Item.ID 3710 _Item.Name '_Heteronucl_T2_list.Text_data' _Item.Description ; A set of heteronuclear T2 relaxation data formatted as ASCII text. ; _Item.Category_ID 266 _Item.Category_label $Heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Heteronucl_T2_experiment _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T2_experiment _Category.ID 267 _Category.Name 'Heteronucl_T2_experiment' _category.Description ; Items in the heteronucl_T2_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported heteronuclear T2 relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 64 _Category.Category_group_name heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3711 $_Heteronucl_T2_experiment.Experiment_ID '_Heteronucl_T2_experiment.Experiment_ID' 3717 $_Heteronucl_T2_experiment.Entry_ID '_Heteronucl_T2_experiment.Entry_ID' 3718 $_Heteronucl_T2_experiment.Heteronucl_T2_list_ID '_Heteronucl_T2_experiment.Heteronucl_T2_list_ID' 267 NMR-STAR stop_ save_ save__Heteronucl_T2_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Experiment_ID' _Item.ID 3711 _Item.Name '_Heteronucl_T2_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T2_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Experiment_name' _Item.ID 3712 _Item.Name '_Heteronucl_T2_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Heteronucl_T2_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Sample_ID' _Item.ID 3713 _Item.Name '_Heteronucl_T2_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_T2_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Sample_label' _Item.ID 3714 _Item.Name '_Heteronucl_T2_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_T2_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Sample_state' _Item.ID 3715 _Item.Name '_Heteronucl_T2_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Heteronucl_T2_experiment.Sample_state' isotropic ? 3715 267 NMR-STAR '_Heteronucl_T2_experiment.Sample_state' anisotropic ? 3715 267 NMR-STAR '_Heteronucl_T2_experiment.Sample_state' solid ? 3715 267 NMR-STAR stop_ save_ save__Heteronucl_T2_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Sf_ID' _Item.ID 3716 _Item.Name '_Heteronucl_T2_experiment.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T2_list.Sf_ID' ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T2_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Entry_ID' _Item.ID 3717 _Item.Name '_Heteronucl_T2_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T2_experiment.Heteronucl_T2_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_experiment.Heteronucl_T2_list_ID' _Item.ID 3718 _Item.Name '_Heteronucl_T2_experiment.Heteronucl_T2_list_ID' _Item.Description ; Pointer to '_Heteronucl_T2_list.ID' ; _Item.Category_ID 267 _Item.Category_label $Heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Heteronucl_T2_software _Category.Sf_category category_description _Category.Sf_framecode Heteronucl_T2_software _Category.ID 268 _Category.Name 'Heteronucl_T2_software' _category.Description ; Items in the heteronucl_T2_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 64 _Category.Category_group_name heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3719 $_Heteronucl_T2_software.Software_ID '_Heteronucl_T2_software.Software_ID' 3724 $_Heteronucl_T2_software.Entry_ID '_Heteronucl_T2_software.Entry_ID' 3725 $_Heteronucl_T2_software.Heteronucl_T2_list_ID '_Heteronucl_T2_software.Heteronucl_T2_list_ID' 268 NMR-STAR stop_ save_ save__Heteronucl_T2_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Software_ID' _Item.ID 3719 _Item.Name '_Heteronucl_T2_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T2_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Software_label' _Item.ID 3720 _Item.Name '_Heteronucl_T2_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Heteronucl_T2_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Method_ID' _Item.ID 3721 _Item.Name '_Heteronucl_T2_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Heteronucl_T2_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Method_label' _Item.ID 3722 _Item.Name '_Heteronucl_T2_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Heteronucl_T2_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Sf_ID' _Item.ID 3723 _Item.Name '_Heteronucl_T2_software.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T2_list.Sf_ID' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Heteronucl_T2_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Entry_ID' _Item.ID 3724 _Item.Name '_Heteronucl_T2_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Heteronucl_T2_software.Heteronucl_T2_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Heteronucl_T2_software.Heteronucl_T2_list_ID' _Item.ID 3725 _Item.Name '_Heteronucl_T2_software.Heteronucl_T2_list_ID' _Item.Description ; Pointer to '_Heteronucl_T2_list.ID' ; _Item.Category_ID 268 _Item.Category_label $Heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_T2 _Category.Sf_category category_description _Category.Sf_framecode T2 _Category.ID 269 _Category.Name 'T2' _category.Description ; Items in the T2 category capture T2 relaxation values for defined nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 64 _Category.Category_group_name heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3726 $_T2.ID '_T2.ID' 3746 $_T2.Entry_ID '_T2.Entry_ID' 3747 $_T2.Heteronucl_T2_list_ID '_T2.Heteronucl_T2_list_ID' 269 NMR-STAR stop_ save_ save__T2.ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.ID' _Item.ID 3726 _Item.Name '_T2.ID' _Item.Description ; Unique identifier for the observed T2 relaxation value. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T2.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Assembly_atom_ID' _Item.ID 3727 _Item.Name '_T2.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T2.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Entity_assembly_ID' _Item.ID 3728 _Item.Name '_T2.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T2.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Entity_ID' _Item.ID 3729 _Item.Name '_T2.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T2.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Comp_index_ID' _Item.ID 3730 _Item.Name '_T2.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T2.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Seq_ID' _Item.ID 3731 _Item.Name '_T2.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T2.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Comp_ID' _Item.ID 3732 _Item.Name '_T2.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T2.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Atom_ID' _Item.ID 3733 _Item.Name '_T2.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__T2.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_T2.Atom_type' _Item.ID 3734 _Item.Name '_T2.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T2.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_T2.Atom_isotope_number' _Item.ID 3735 _Item.Name '_T2.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T2.T2_val _Item.Sf_category item_description _Item.Sf_framecode '_T2.T2_val' _Item.ID 3736 _Item.Name '_T2.T2_val' _Item.Description ; The T2 relaxation value. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__T2.T2_val_err _Item.Sf_category item_description _Item.Sf_framecode '_T2.T2_val_err' _Item.ID 3737 _Item.Name '_T2.T2_val_err' _Item.Description ; The estimated error in the reported T2 relaxation value. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T2.Rex_val _Item.Sf_category item_description _Item.Sf_framecode '_T2.Rex_val' _Item.ID 3738 _Item.Name '_T2.Rex_val' _Item.Description ; The exchange broadening contribution value. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T2.Rex_err _Item.Sf_category item_description _Item.Sf_framecode '_T2.Rex_err' _Item.ID 3739 _Item.Name '_T2.Rex_err' _Item.Description ; The estimated error in the fitted exchange broadening contribution value. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__T2.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Resonance_ID' _Item.ID 3740 _Item.Name '_T2.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__T2.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Auth_entity_assembly_ID' _Item.ID 3741 _Item.Name '_T2.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T2.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Auth_seq_ID' _Item.ID 3742 _Item.Name '_T2.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T2.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Auth_comp_ID' _Item.ID 3743 _Item.Name '_T2.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T2.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Auth_atom_ID' _Item.ID 3744 _Item.Name '_T2.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__T2.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Sf_ID' _Item.ID 3745 _Item.Name '_T2.Sf_ID' _Item.Description ; Pointer to '_Heteronucl_T2_list.Sf_ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__T2.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Entry_ID' _Item.ID 3746 _Item.Name '_T2.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__T2.Heteronucl_T2_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_T2.Heteronucl_T2_list_ID' _Item.ID 3747 _Item.Name '_T2.Heteronucl_T2_list_ID' _Item.Description ; Pointer to '_Heteronucl_T2_list.ID' ; _Item.Category_ID 269 _Item.Category_label $T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_T2_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_T2_list _Category.ID 270 _Category.Name 'Theoretical_heteronucl_T2_list' _category.Description ; Items in the theoretical_heteronucl_T2_list category provide information about a list of reported theoretical heteronuclear T2 relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 65 _Category.Category_group_name theoretical_heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3750 $_Theoretical_heteronucl_T2_list.Entry_ID '_Theoretical_heteronucl_T2_list.Entry_ID' 3752 $_Theoretical_heteronucl_T2_list.ID '_Theoretical_heteronucl_T2_list.ID' 270 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Sf_category' _Item.ID 3748 _Item.Name '_Theoretical_heteronucl_T2_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T2_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Sf_framecode' _Item.ID 3749 _Item.Name '_Theoretical_heteronucl_T2_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_heteronucl_T2_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Entry_ID' _Item.ID 3750 _Item.Name '_Theoretical_heteronucl_T2_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T2_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Sf_ID' _Item.ID 3751 _Item.Name '_Theoretical_heteronucl_T2_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_heteronucl_T2_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.ID' _Item.ID 3752 _Item.Name '_Theoretical_heteronucl_T2_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of theoretical heteronuclear T2 data from other save frames of this category in an entry. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_heteronucl_T2_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Name' _Item.ID 3753 _Item.Name '_Theoretical_heteronucl_T2_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T2_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Data_file_name' _Item.ID 3754 _Item.Name '_Theoretical_heteronucl_T2_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T2_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Sample_condition_list_ID' _Item.ID 3755 _Item.Name '_Theoretical_heteronucl_T2_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Sample_condition_list_label' _Item.ID 3756 _Item.Name '_Theoretical_heteronucl_T2_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the theoretical heteronuclear T2 relaxation values. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T2_list.Temp_calibration_method _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Temp_calibration_method' _Item.ID 3757 _Item.Name '_Theoretical_heteronucl_T2_list.Temp_calibration_method' _Item.Description ; Method used to calibrate the temperature unit on the NMR spectrometer used to collect the experimental data. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumeration_closed_code no save_ save__Theoretical_heteronucl_T2_list.Temp_control_method _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Temp_control_method' _Item.ID 3758 _Item.Name '_Theoretical_heteronucl_T2_list.Temp_control_method' _Item.Description ; Method used to control the temperature of the sample to eliminate heating caused by the long spin-lock pulse. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumeration_closed_code no save_ save__Theoretical_heteronucl_T2_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Spectrometer_frequency_1H' _Item.ID 3759 _Item.Name '_Theoretical_heteronucl_T2_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_heteronucl_T2_list.T2_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.T2_coherence_type' _Item.ID 3760 _Item.Name '_Theoretical_heteronucl_T2_list.T2_coherence_type' _Item.Description ; A code describing the nuclei involved in the measured T2 coherence. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T2_list.T2_coherence_type' I(+,-) ? 3760 270 NMR-STAR '_Theoretical_heteronucl_T2_list.T2_coherence_type' S(+,-) ? 3760 270 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_list.T2_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.T2_val_units' _Item.ID 3761 _Item.Name '_Theoretical_heteronucl_T2_list.T2_val_units' _Item.Description ; The units used for the reported T2 relaxation values. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T2_list.T2_val_units' s-1 ? 3761 270 NMR-STAR '_Theoretical_heteronucl_T2_list.T2_val_units' ms-1 ? 3761 270 NMR-STAR '_Theoretical_heteronucl_T2_list.T2_val_units' s ? 3761 270 NMR-STAR '_Theoretical_heteronucl_T2_list.T2_val_units' ms ? 3761 270 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_list.Rex_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Rex_units' _Item.ID 3762 _Item.Name '_Theoretical_heteronucl_T2_list.Rex_units' _Item.Description ; The units used for the reported R exchange values. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T2_list.Rex_units' s-1 ? 3762 270 NMR-STAR '_Theoretical_heteronucl_T2_list.Rex_units' ms-1 ? 3762 270 NMR-STAR '_Theoretical_heteronucl_T2_list.Rex_units' us-1 ? 3762 270 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Details' _Item.ID 3763 _Item.Name '_Theoretical_heteronucl_T2_list.Details' _Item.Description ; Text describing the reported theoretical heteronuclear T2 relaxation data. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_heteronucl_T2_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Text_data_format' _Item.ID 3764 _Item.Name '_Theoretical_heteronucl_T2_list.Text_data_format' _Item.Description ; The data format used to represent the theoretical heteronuclear T2 relaxation data as ASCII text in the text block that is the value to the '_Theoretical_heteronucl_T2_list.Text_data' tag. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T2_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_list.Text_data' _Item.ID 3765 _Item.Name '_Theoretical_heteronucl_T2_list.Text_data' _Item.Description ; A set of theoretical heteronuclear T2 relaxation data formatted as ASCII text. ; _Item.Category_ID 270 _Item.Category_label $Theoretical_heteronucl_T2_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_heteronucl_T2_experiment _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_T2_experiment _Category.ID 271 _Category.Name 'Theoretical_heteronucl_T2_experiment' _category.Description ; Items in the theoretical_heteronucl_T2_experiment category may provide pointers to the NMR experiments and samples modeled to generate the data for a set of reported theoretical heteronuclear T2 values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 65 _Category.Category_group_name theoretical_heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3766 $_Theoretical_heteronucl_T2_experiment.Experiment_ID '_Theoretical_heteronucl_T2_experiment.Experiment_ID' 3772 $_Theoretical_heteronucl_T2_experiment.Entry_ID '_Theoretical_heteronucl_T2_experiment.Entry_ID' 3773 $_Theoretical_heteronucl_T2_experiment.Theoretical_Heteronucl_T2_list_ID '_Theoretical_heteronucl_T2_experiment.Theoretical_Heteronucl_T2_list_ID' 271 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Experiment_ID' _Item.ID 3766 _Item.Name '_Theoretical_heteronucl_T2_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Experiment_name' _Item.ID 3767 _Item.Name '_Theoretical_heteronucl_T2_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_heteronucl_T2_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Sample_ID' _Item.ID 3768 _Item.Name '_Theoretical_heteronucl_T2_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Sample_label' _Item.ID 3769 _Item.Name '_Theoretical_heteronucl_T2_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T2_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Sample_state' _Item.ID 3770 _Item.Name '_Theoretical_heteronucl_T2_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_heteronucl_T2_experiment.Sample_state' isotropic ? 3770 271 NMR-STAR '_Theoretical_heteronucl_T2_experiment.Sample_state' anisotropic ? 3770 271 NMR-STAR '_Theoretical_heteronucl_T2_experiment.Sample_state' solid ? 3770 271 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Sf_ID' _Item.ID 3771 _Item.Name '_Theoretical_heteronucl_T2_experiment.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T2_list.Sf_ID' ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Entry_ID' _Item.ID 3772 _Item.Name '_Theoretical_heteronucl_T2_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T2_experiment.Theoretical_Heteronucl_T2_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_experiment.Theoretical_Heteronucl_T2_list_ID' _Item.ID 3773 _Item.Name '_Theoretical_heteronucl_T2_experiment.Theoretical_Heteronucl_T2_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T2_list.ID' ; _Item.Category_ID 271 _Item.Category_label $Theoretical_heteronucl_T2_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_heteronucl_T2_software _Category.Sf_category category_description _Category.Sf_framecode Theoretical_heteronucl_T2_software _Category.ID 272 _Category.Name 'Theoretical_heteronucl_T2_software' _category.Description ; Items in the theoretical_heteronucl_T2_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical data can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 65 _Category.Category_group_name theoretical_heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3774 $_Theoretical_heteronucl_T2_software.Software_ID '_Theoretical_heteronucl_T2_software.Software_ID' 3779 $_Theoretical_heteronucl_T2_software.Entry_ID '_Theoretical_heteronucl_T2_software.Entry_ID' 3780 $_Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID '_Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID' 272 NMR-STAR stop_ save_ save__Theoretical_heteronucl_T2_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Software_ID' _Item.ID 3774 _Item.Name '_Theoretical_heteronucl_T2_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Software_label' _Item.ID 3775 _Item.Name '_Theoretical_heteronucl_T2_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T2_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Method_ID' _Item.ID 3776 _Item.Name '_Theoretical_heteronucl_T2_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Method_label' _Item.ID 3777 _Item.Name '_Theoretical_heteronucl_T2_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_heteronucl_T2_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Sf_ID' _Item.ID 3778 _Item.Name '_Theoretical_heteronucl_T2_software.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T2_list.Sf_ID' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_heteronucl_T2_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Entry_ID' _Item.ID 3779 _Item.Name '_Theoretical_heteronucl_T2_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID' _Item.ID 3780 _Item.Name '_Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T2_list.ID' ; _Item.Category_ID 272 _Item.Category_label $Theoretical_heteronucl_T2_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_T2 _Category.Sf_category category_description _Category.Sf_framecode Theoretical_T2 _Category.ID 273 _Category.Name 'Theoretical_T2' _category.Description ; Items in the theoretical_T2 category capture theoretical T2 relaxation values for defined nuclei. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 65 _Category.Category_group_name theoretical_heteronucl_T2_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3781 $_Theoretical_T2.ID '_Theoretical_T2.ID' 3801 $_Theoretical_T2.Entry_ID '_Theoretical_T2.Entry_ID' 3802 $_Theoretical_T2.Theoretical_heteronucl_T2_list_ID '_Theoretical_T2.Theoretical_heteronucl_T2_list_ID' 273 NMR-STAR stop_ save_ save__Theoretical_T2.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.ID' _Item.ID 3781 _Item.Name '_Theoretical_T2.ID' _Item.Description ; Unique identifier for the observed T2 relaxation value. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T2.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Assembly_atom_ID' _Item.ID 3782 _Item.Name '_Theoretical_T2.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_T2.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Entity_assembly_ID' _Item.ID 3783 _Item.Name '_Theoretical_T2.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T2.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Entity_ID' _Item.ID 3784 _Item.Name '_Theoretical_T2.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T2.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Comp_index_ID' _Item.ID 3785 _Item.Name '_Theoretical_T2.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T2.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Seq_ID' _Item.ID 3786 _Item.Name '_Theoretical_T2.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T2.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Comp_ID' _Item.ID 3787 _Item.Name '_Theoretical_T2.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_T2.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Atom_ID' _Item.ID 3788 _Item.Name '_Theoretical_T2.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_T2.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Atom_type' _Item.ID 3789 _Item.Name '_Theoretical_T2.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_T2.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Atom_isotope_number' _Item.ID 3790 _Item.Name '_Theoretical_T2.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_T2.T2_val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.T2_val' _Item.ID 3791 _Item.Name '_Theoretical_T2.T2_val' _Item.Description ; The T2 relaxation value. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_T2.T2_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.T2_val_err' _Item.ID 3792 _Item.Name '_Theoretical_T2.T2_val_err' _Item.Description ; The estimated error in the reported T2 relaxation value. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_T2.Rex_val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Rex_val' _Item.ID 3793 _Item.Name '_Theoretical_T2.Rex_val' _Item.Description ; The exchange broadening contribution value. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_T2.Rex_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Rex_err' _Item.ID 3794 _Item.Name '_Theoretical_T2.Rex_err' _Item.Description ; The estimated error in the fitted exchange broadening contribution value. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_T2.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Resonance_ID' _Item.ID 3795 _Item.Name '_Theoretical_T2.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_T2.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Auth_entity_assembly_ID' _Item.ID 3796 _Item.Name '_Theoretical_T2.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T2.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Auth_seq_ID' _Item.ID 3797 _Item.Name '_Theoretical_T2.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T2.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Auth_comp_ID' _Item.ID 3798 _Item.Name '_Theoretical_T2.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T2.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Auth_atom_ID' _Item.ID 3799 _Item.Name '_Theoretical_T2.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_T2.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Sf_ID' _Item.ID 3800 _Item.Name '_Theoretical_T2.Sf_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T2_list.Sf_ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_T2.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Entry_ID' _Item.ID 3801 _Item.Name '_Theoretical_T2.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_T2.Theoretical_heteronucl_T2_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_T2.Theoretical_heteronucl_T2_list_ID' _Item.ID 3802 _Item.Name '_Theoretical_T2.Theoretical_heteronucl_T2_list_ID' _Item.Description ; Pointer to '_Theoretical_heteronucl_T2_list.ID' ; _Item.Category_ID 273 _Item.Category_label $Theoretical_T2 _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Auto_relaxation_list _Category.Sf_category category_description _Category.Sf_framecode Auto_relaxation_list _Category.ID 274 _Category.Name 'Auto_relaxation_list' _category.Description ; Items in the auto_relaxation_list category provide information about a list of reported relaxation parameters. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 66 _Category.Category_group_name auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3805 $_Auto_relaxation_list.Entry_ID '_Auto_relaxation_list.Entry_ID' 3807 $_Auto_relaxation_list.ID '_Auto_relaxation_list.ID' 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Sf_category' _Item.ID 3803 _Item.Name '_Auto_relaxation_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Sf_framecode' _Item.ID 3804 _Item.Name '_Auto_relaxation_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Auto_relaxation_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Entry_ID' _Item.ID 3805 _Item.Name '_Auto_relaxation_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Sf_ID' _Item.ID 3806 _Item.Name '_Auto_relaxation_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Auto_relaxation_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.ID' _Item.ID 3807 _Item.Name '_Auto_relaxation_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of general relaxation data from other save frames of this category in an entry. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Auto_relaxation_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Name' _Item.ID 3808 _Item.Name '_Auto_relaxation_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auto_relaxation_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Data_file_name' _Item.ID 3809 _Item.Name '_Auto_relaxation_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auto_relaxation_list.Common_relaxation_type_name _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Common_relaxation_type_name' _Item.ID 3810 _Item.Name '_Auto_relaxation_list.Common_relaxation_type_name' _Item.Description ; Common term used for the type of relaxation phenomena reported. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_list.Common_relaxation_type_name' R1 ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' R2 ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' R1rho ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' T1 ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' T2 ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' T1rho ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' 'ZQ relaxation' ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' 'longitudinal spin order' ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' 'single quantum antiphase' ? 3810 274 NMR-STAR '_Auto_relaxation_list.Common_relaxation_type_name' 'DQ relaxation' ? 3810 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Sample_condition_list_ID' _Item.ID 3811 _Item.Name '_Auto_relaxation_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Sample_condition_list_label' _Item.ID 3812 _Item.Name '_Auto_relaxation_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the general relaxation values. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Auto_relaxation_list.Temp_calibration_method _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Temp_calibration_method' _Item.ID 3813 _Item.Name '_Auto_relaxation_list.Temp_calibration_method' _Item.Description ; Method used to calibrate the temperature unit on the NMR spectrometer used to collect the experimental data. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_list.Temp_calibration_method' methanol MeOH 3813 274 NMR-STAR '_Auto_relaxation_list.Temp_calibration_method' 'monoethylene glycol' MEG 3813 274 NMR-STAR '_Auto_relaxation_list.Temp_calibration_method' 'solid lead nitrate" .' ? 3813 274 NMR-STAR '_Auto_relaxation_list.Temp_calibration_method' . ? 3813 274 NMR-STAR '_Auto_relaxation_list.Temp_calibration_method' 'no calibration applied' ? 3813 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Temp_control_method _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Temp_control_method' _Item.ID 3814 _Item.Name '_Auto_relaxation_list.Temp_control_method' _Item.Description ; Method used to control the temperature of the sample to eliminate heating caused by the long spin-lock pulse. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_list.Temp_control_method' 'single scan interleaving' ? 3814 274 NMR-STAR '_Auto_relaxation_list.Temp_control_method' 'temperature compensation block' ? 3814 274 NMR-STAR '_Auto_relaxation_list.Temp_control_method' 'single scan interleaving and temperature compensation block' ? 3814 274 NMR-STAR '_Auto_relaxation_list.Temp_control_method' 'no temperature control applied' ? 3814 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Spectrometer_frequency_1H' _Item.ID 3815 _Item.Name '_Auto_relaxation_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Auto_relaxation_list.Exact_field_strength _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Exact_field_strength' _Item.ID 3816 _Item.Name '_Auto_relaxation_list.Exact_field_strength' _Item.Description ; The actual spectrometer frequency of the nucleus observed expressed at a high level of precision. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Auto_relaxation_list.Relaxation_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Relaxation_coherence_type' _Item.ID 3817 _Item.Name '_Auto_relaxation_list.Relaxation_coherence_type' _Item.Description ; A code describing the spin(s) involved in the measured relaxation coherence. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_list.Relaxation_coherence_type' Iz 'R1/T1 longitudinal' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' Sz 'R1/T1 longitudinal' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' (I+)+(I-) 'R1rho or R2 transverse' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' (S+)+(S-) 'R1rho or R2 transverse' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I+ 'R1rho or R2 transverse' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I- 'R1rho or R2 transverse' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' S+ 'R1rho or R2 transverse' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' S- 'R1rho or R2 transverse' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' (I+S-)+(I-S+) 'ZQ relaxation' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I-S+ 'ZQ relaxation' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I+S- 'ZQ relaxation' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' IzSz 'longitudinal spin order' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' ((I+)+(I-))Sz 'single quantum antiphase' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' Iz((S+)+(S-)) 'single quantum antiphase' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I+Sz 'single quantum antiphase' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I-Sz 'single quantum antiphase' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' IzS+ 'single quantum antiphase' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' IzS- 'single quantum antiphase' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' (I+S+)+(I-S-) 'DQ relaxation' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I+S+ 'DQ relaxation' 3817 274 NMR-STAR '_Auto_relaxation_list.Relaxation_coherence_type' I-S- 'DQ relaxation' 3817 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Relaxation_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Relaxation_val_units' _Item.ID 3818 _Item.Name '_Auto_relaxation_list.Relaxation_val_units' _Item.Description ; The units used for the reported relaxation values. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_list.Relaxation_val_units' s-1 ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' ms-1 ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' us-1 ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' ns-1 ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' ps-1 ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' s ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' ms ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' us ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' ns ? 3818 274 NMR-STAR '_Auto_relaxation_list.Relaxation_val_units' ps ? 3818 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Rex_units _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Rex_units' _Item.ID 3819 _Item.Name '_Auto_relaxation_list.Rex_units' _Item.Description ; The units used for the reported R exchange values. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_list.Rex_units' s-1 ? 3819 274 NMR-STAR '_Auto_relaxation_list.Rex_units' ms-1 ? 3819 274 NMR-STAR '_Auto_relaxation_list.Rex_units' us-1 ? 3819 274 NMR-STAR stop_ save_ save__Auto_relaxation_list.Rex_field_strength _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Rex_field_strength' _Item.ID 3820 _Item.Name '_Auto_relaxation_list.Rex_field_strength' _Item.Description ; 1H spectrometer field strength at which Rex values have been measured. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Auto_relaxation_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Details' _Item.ID 3821 _Item.Name '_Auto_relaxation_list.Details' _Item.Description ; Text describing the reported relaxation data. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Auto_relaxation_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Text_data_format' _Item.ID 3822 _Item.Name '_Auto_relaxation_list.Text_data_format' _Item.Description ; The data format used to represent the relaxation data as ASCII text in the text block that is the value to the '_Auto_relaxation_list.Text_data' tag. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auto_relaxation_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_list.Text_data' _Item.ID 3823 _Item.Name '_Auto_relaxation_list.Text_data' _Item.Description ; A set of relaxation data formatted as ASCII text. ; _Item.Category_ID 274 _Item.Category_label $Auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Auto_relaxation_experiment _Category.Sf_category category_description _Category.Sf_framecode Auto_relaxation_experiment _Category.ID 275 _Category.Name 'Auto_relaxation_experiment' _category.Description ; Items in the auto_relaxation_experiment category contain the links to the NMR experiments used to derive the reported relaxation parameters. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 66 _Category.Category_group_name auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3824 $_Auto_relaxation_experiment.Experiment_ID '_Auto_relaxation_experiment.Experiment_ID' 3830 $_Auto_relaxation_experiment.Entry_ID '_Auto_relaxation_experiment.Entry_ID' 3831 $_Auto_relaxation_experiment.Auto_relaxation_list_ID '_Auto_relaxation_experiment.Auto_relaxation_list_ID' 275 NMR-STAR stop_ save_ save__Auto_relaxation_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Experiment_ID' _Item.ID 3824 _Item.Name '_Auto_relaxation_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Experiment_name' _Item.ID 3825 _Item.Name '_Auto_relaxation_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Auto_relaxation_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Sample_ID' _Item.ID 3826 _Item.Name '_Auto_relaxation_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Auto_relaxation_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Sample_label' _Item.ID 3827 _Item.Name '_Auto_relaxation_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Auto_relaxation_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Sample_state' _Item.ID 3828 _Item.Name '_Auto_relaxation_experiment.Sample_state' _Item.Description ; Physical state of the sample. ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Auto_relaxation_experiment.Sample_state' isotropic ? 3828 275 NMR-STAR '_Auto_relaxation_experiment.Sample_state' anisotropic ? 3828 275 NMR-STAR '_Auto_relaxation_experiment.Sample_state' solid ? 3828 275 NMR-STAR stop_ save_ save__Auto_relaxation_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Sf_ID' _Item.ID 3829 _Item.Name '_Auto_relaxation_experiment.Sf_ID' _Item.Description ; Pointer to '_Auto_relaxation_list.Sf_ID' ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Entry_ID' _Item.ID 3830 _Item.Name '_Auto_relaxation_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation_experiment.Auto_relaxation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_experiment.Auto_relaxation_list_ID' _Item.ID 3831 _Item.Name '_Auto_relaxation_experiment.Auto_relaxation_list_ID' _Item.Description ; Pointer to '_Auto_relaxation_list.ID' ; _Item.Category_ID 275 _Item.Category_label $Auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Auto_relaxation_software _Category.Sf_category category_description _Category.Sf_framecode Auto_relaxation_software _Category.ID 276 _Category.Name 'Auto_relaxation_software' _category.Description ; Items in the auto_relaxation_software category define links to the software tools used to derive the reported relaxation parameters. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 66 _Category.Category_group_name auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3832 $_Auto_relaxation_software.Software_ID '_Auto_relaxation_software.Software_ID' 3837 $_Auto_relaxation_software.Entry_ID '_Auto_relaxation_software.Entry_ID' 3838 $_Auto_relaxation_software.Auto_relaxation_list_ID '_Auto_relaxation_software.Auto_relaxation_list_ID' 276 NMR-STAR stop_ save_ save__Auto_relaxation_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Software_ID' _Item.ID 3832 _Item.Name '_Auto_relaxation_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Software_label' _Item.ID 3833 _Item.Name '_Auto_relaxation_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Auto_relaxation_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Method_ID' _Item.ID 3834 _Item.Name '_Auto_relaxation_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Auto_relaxation_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Method_label' _Item.ID 3835 _Item.Name '_Auto_relaxation_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Auto_relaxation_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Sf_ID' _Item.ID 3836 _Item.Name '_Auto_relaxation_software.Sf_ID' _Item.Description ; Pointer to '_Auto_relaxation_list.Sf_ID' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Entry_ID' _Item.ID 3837 _Item.Name '_Auto_relaxation_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation_software.Auto_relaxation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation_software.Auto_relaxation_list_ID' _Item.ID 3838 _Item.Name '_Auto_relaxation_software.Auto_relaxation_list_ID' _Item.Description ; Pointer to '_Auto_relaxation_list.ID' ; _Item.Category_ID 276 _Item.Category_label $Auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Auto_relaxation _Category.Sf_category category_description _Category.Sf_framecode Auto_relaxation _Category.ID 277 _Category.Name 'Auto_relaxation' _category.Description ; Items in the auto_relaxation category provide the quantitative values for the reported relaxation parameters and their assignmen to atoms in the molecular system studied. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 66 _Category.Category_group_name auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3839 $_Auto_relaxation.ID '_Auto_relaxation.ID' 3860 $_Auto_relaxation.Entry_ID '_Auto_relaxation.Entry_ID' 3861 $_Auto_relaxation.Auto_relaxation_list_ID '_Auto_relaxation.Auto_relaxation_list_ID' 277 NMR-STAR stop_ save_ save__Auto_relaxation.ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.ID' _Item.ID 3839 _Item.Name '_Auto_relaxation.ID' _Item.Description ; Unique identifier for the observed relaxation value. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Assembly_ID' _Item.ID 3840 _Item.Name '_Auto_relaxation.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Auto_relaxation.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Assembly_atom_ID' _Item.ID 3841 _Item.Name '_Auto_relaxation.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Auto_relaxation.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Entity_assembly_ID' _Item.ID 3842 _Item.Name '_Auto_relaxation.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Entity_ID' _Item.ID 3843 _Item.Name '_Auto_relaxation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Comp_index_ID' _Item.ID 3844 _Item.Name '_Auto_relaxation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Seq_ID' _Item.ID 3845 _Item.Name '_Auto_relaxation.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Comp_ID' _Item.ID 3846 _Item.Name '_Auto_relaxation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Atom_ID' _Item.ID 3847 _Item.Name '_Auto_relaxation.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Auto_relaxation.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Atom_type' _Item.ID 3848 _Item.Name '_Auto_relaxation.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Atom_isotope_number' _Item.ID 3849 _Item.Name '_Auto_relaxation.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Auto_relaxation.Auto_relaxation_val _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auto_relaxation_val' _Item.ID 3850 _Item.Name '_Auto_relaxation.Auto_relaxation_val' _Item.Description ; The relaxation value. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Auto_relaxation.Auto_relaxation_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auto_relaxation_val_err' _Item.ID 3851 _Item.Name '_Auto_relaxation.Auto_relaxation_val_err' _Item.Description ; The estimated error in the reported relaxation value. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Auto_relaxation.Rex_val _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Rex_val' _Item.ID 3852 _Item.Name '_Auto_relaxation.Rex_val' _Item.Description ; The exchange broadening contribution value. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Auto_relaxation.Rex_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Rex_val_err' _Item.ID 3853 _Item.Name '_Auto_relaxation.Rex_val_err' _Item.Description ; The estimated error in the fitted exchange broadening contribution value. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Auto_relaxation.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Resonance_ID' _Item.ID 3854 _Item.Name '_Auto_relaxation.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Auto_relaxation.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auth_entity_assembly_ID' _Item.ID 3855 _Item.Name '_Auto_relaxation.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Auto_relaxation.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auth_seq_ID' _Item.ID 3856 _Item.Name '_Auto_relaxation.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Auto_relaxation.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auth_comp_ID' _Item.ID 3857 _Item.Name '_Auto_relaxation.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Auto_relaxation.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auth_atom_ID' _Item.ID 3858 _Item.Name '_Auto_relaxation.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Auto_relaxation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Sf_ID' _Item.ID 3859 _Item.Name '_Auto_relaxation.Sf_ID' _Item.Description ; Pointer to '_Auto_relaxation_list.Sf_ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Auto_relaxation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Entry_ID' _Item.ID 3860 _Item.Name '_Auto_relaxation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Auto_relaxation.Auto_relaxation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Auto_relaxation.Auto_relaxation_list_ID' _Item.ID 3861 _Item.Name '_Auto_relaxation.Auto_relaxation_list_ID' _Item.Description ; Pointer to '_Auto_relaxation_list.ID' ; _Item.Category_ID 277 _Item.Category_label $Auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_auto_relaxation_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_auto_relaxation_list _Category.ID 278 _Category.Name 'Theoretical_auto_relaxation_list' _category.Description ; Items in the theoretical_auto_relaxation_list category provide information about a list of reported theoretical auto relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 67 _Category.Category_group_name theoretical_auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3864 $_Theoretical_auto_relaxation_list.Entry_ID '_Theoretical_auto_relaxation_list.Entry_ID' 3866 $_Theoretical_auto_relaxation_list.ID '_Theoretical_auto_relaxation_list.ID' 278 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Sf_category' _Item.ID 3862 _Item.Name '_Theoretical_auto_relaxation_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Sf_framecode' _Item.ID 3863 _Item.Name '_Theoretical_auto_relaxation_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_auto_relaxation_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Entry_ID' _Item.ID 3864 _Item.Name '_Theoretical_auto_relaxation_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Sf_ID' _Item.ID 3865 _Item.Name '_Theoretical_auto_relaxation_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_auto_relaxation_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.ID' _Item.ID 3866 _Item.Name '_Theoretical_auto_relaxation_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of general relaxation data from other save frames of this category in an entry. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_auto_relaxation_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Name' _Item.ID 3867 _Item.Name '_Theoretical_auto_relaxation_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_auto_relaxation_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Data_file_name' _Item.ID 3868 _Item.Name '_Theoretical_auto_relaxation_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_auto_relaxation_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Sample_condition_list_ID' _Item.ID 3869 _Item.Name '_Theoretical_auto_relaxation_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Sample_condition_list_label' _Item.ID 3870 _Item.Name '_Theoretical_auto_relaxation_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the general relaxation values. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_auto_relaxation_list.Temp_calibration_method _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Temp_calibration_method' _Item.ID 3871 _Item.Name '_Theoretical_auto_relaxation_list.Temp_calibration_method' _Item.Description ; Method used to calibrate the temperature unit on the NMR spectrometer used to collect the experimental data. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_auto_relaxation_list.Temp_control_method _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Temp_control_method' _Item.ID 3872 _Item.Name '_Theoretical_auto_relaxation_list.Temp_control_method' _Item.Description ; Method used to control the temperature of the sample to eliminate heating caused by the long spin-lock pulse. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_auto_relaxation_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Spectrometer_frequency_1H' _Item.ID 3873 _Item.Name '_Theoretical_auto_relaxation_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_auto_relaxation_list.Exact_field_strength _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Exact_field_strength' _Item.ID 3874 _Item.Name '_Theoretical_auto_relaxation_list.Exact_field_strength' _Item.Description ; The actual spectrometer frequency of the nucleus observed expressed at a high level of precision. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_auto_relaxation_list.Common_relaxation_type_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' _Item.ID 3875 _Item.Name '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' _Item.Description ; Common term used for the type of relaxation phenomena reported. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' R1 ? 3875 278 NMR-STAR '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' R2 ? 3875 278 NMR-STAR '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' R1rho ? 3875 278 NMR-STAR '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' 'ZQ relaxation' ? 3875 278 NMR-STAR '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' 'longitudinal spin order' ? 3875 278 NMR-STAR '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' 'single quantum antiphase' ? 3875 278 NMR-STAR '_Theoretical_auto_relaxation_list.Common_relaxation_type_name' 'DQ relaxation' ? 3875 278 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_list.Relaxation_coherence_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' _Item.ID 3876 _Item.Name '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' _Item.Description ; A code describing the spin(s) involved in the measured relaxation coherence. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' Iz 'R1 longitudinal' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' Sz 'R1 longitudinal' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' (I+)+(I-) 'R1rho or R2 transverse' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' (S+)+(S-) 'R1rho or R2 transverse' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I+ 'R1rho or R2 transverse' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I- 'R1rho or R2 transverse' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' S+ 'R1rho or R2 transverse' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' S- 'R1rho or R2 transverse' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' (I+S-)+(I-S+) 'ZQ relaxation' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I-S+ 'ZQ relaxation' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I+S- 'ZQ relaxation' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' IzSz 'longitudinal spin order' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' ((I+)+(I-))Sz 'single quantum antiphase' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' Iz((S+)+(S-)) 'single quantum antiphase' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I+Sz 'single quantum antiphase' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I-Sz 'single quantum antiphase' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' IzS+ 'single quantum antiphase' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' IzS- 'single quantum antiphase' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' (I+S+)+(I-S-) 'DQ relaxation' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I+S+ 'DQ relaxation' 3876 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_coherence_type' I-S- 'DQ relaxation' 3876 278 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_list.Relaxation_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Relaxation_val_units' _Item.ID 3877 _Item.Name '_Theoretical_auto_relaxation_list.Relaxation_val_units' _Item.Description ; The units used for the reported relaxation values. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_auto_relaxation_list.Relaxation_val_units' s-1 ? 3877 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_val_units' ms-1 ? 3877 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_val_units' us-1 ? 3877 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_val_units' ns-1 ? 3877 278 NMR-STAR '_Theoretical_auto_relaxation_list.Relaxation_val_units' ps-1 ? 3877 278 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_list.Rex_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Rex_units' _Item.ID 3878 _Item.Name '_Theoretical_auto_relaxation_list.Rex_units' _Item.Description ; The units used for the reported R exchange values. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_auto_relaxation_list.Rex_units' s-1 ? 3878 278 NMR-STAR '_Theoretical_auto_relaxation_list.Rex_units' ms-1 ? 3878 278 NMR-STAR '_Theoretical_auto_relaxation_list.Rex_units' us-1 ? 3878 278 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_list.Rex_field_strength _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Rex_field_strength' _Item.ID 3879 _Item.Name '_Theoretical_auto_relaxation_list.Rex_field_strength' _Item.Description ; 1H spectrometer field strength at which Rex values have been measured. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Details' _Item.ID 3880 _Item.Name '_Theoretical_auto_relaxation_list.Details' _Item.Description ; Text describing the reported relaxation data. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_auto_relaxation_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Text_data_format' _Item.ID 3881 _Item.Name '_Theoretical_auto_relaxation_list.Text_data_format' _Item.Description ; The data format used to represent the relaxation data as ASCII text in the text block that is the value to the '_Theoretical_auto_relaxation_list.Text_data' tag. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_auto_relaxation_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_list.Text_data' _Item.ID 3882 _Item.Name '_Theoretical_auto_relaxation_list.Text_data' _Item.Description ; A set of relaxation data formatted as ASCII text. ; _Item.Category_ID 278 _Item.Category_label $Theoretical_auto_relaxation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_auto_relaxation_experiment _Category.Sf_category category_description _Category.Sf_framecode Theoretical_auto_relaxation_experiment _Category.ID 279 _Category.Name 'Theoretical_auto_relaxation_experiment' _category.Description ; Items in the theoretical_auto_relaxation_experiment category may provide pointers to the NMR experiments and samples modeled to generate the data for a set of reported theoretical auto relaxation data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 67 _Category.Category_group_name theoretical_auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3883 $_Theoretical_auto_relaxation_experiment.Experiment_ID '_Theoretical_auto_relaxation_experiment.Experiment_ID' 3889 $_Theoretical_auto_relaxation_experiment.Entry_ID '_Theoretical_auto_relaxation_experiment.Entry_ID' 3890 $_Theoretical_auto_relaxation_experiment.Theoretical_auto_relaxation_list_ID '_Theoretical_auto_relaxation_experiment.Theoretical_auto_relaxation_list_ID' 279 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Experiment_ID' _Item.ID 3883 _Item.Name '_Theoretical_auto_relaxation_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Experiment_name' _Item.ID 3884 _Item.Name '_Theoretical_auto_relaxation_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_auto_relaxation_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Sample_ID' _Item.ID 3885 _Item.Name '_Theoretical_auto_relaxation_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Sample_label' _Item.ID 3886 _Item.Name '_Theoretical_auto_relaxation_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_auto_relaxation_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Sample_state' _Item.ID 3887 _Item.Name '_Theoretical_auto_relaxation_experiment.Sample_state' _Item.Description ; Physical state of the sample. ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_auto_relaxation_experiment.Sample_state' isotropic ? 3887 279 NMR-STAR '_Theoretical_auto_relaxation_experiment.Sample_state' anisotropic ? 3887 279 NMR-STAR '_Theoretical_auto_relaxation_experiment.Sample_state' solid ? 3887 279 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Sf_ID' _Item.ID 3888 _Item.Name '_Theoretical_auto_relaxation_experiment.Sf_ID' _Item.Description ; Pointer to '_Theoretical_auto_relaxation_list.Sf_ID' ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Entry_ID' _Item.ID 3889 _Item.Name '_Theoretical_auto_relaxation_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation_experiment.Theoretical_auto_relaxation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_experiment.Theoretical_auto_relaxation_list_ID' _Item.ID 3890 _Item.Name '_Theoretical_auto_relaxation_experiment.Theoretical_auto_relaxation_list_ID' _Item.Description ; Pointer to '_Theoretical_auto_relaxation_list.ID' ; _Item.Category_ID 279 _Item.Category_label $Theoretical_auto_relaxation_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_auto_relaxation_software _Category.Sf_category category_description _Category.Sf_framecode Theoretical_auto_relaxation_software _Category.ID 280 _Category.Name 'Theoretical_auto_relaxation_software' _category.Description ; Items in the theoretical_auto_relaxation_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 67 _Category.Category_group_name theoretical_auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3891 $_Theoretical_auto_relaxation_software.Software_ID '_Theoretical_auto_relaxation_software.Software_ID' 3896 $_Theoretical_auto_relaxation_software.Entry_ID '_Theoretical_auto_relaxation_software.Entry_ID' 3897 $_Theoretical_auto_relaxation_software.Theoretical_auto_relaxation_list_ID '_Theoretical_auto_relaxation_software.Theoretical_auto_relaxation_list_ID' 280 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Software_ID' _Item.ID 3891 _Item.Name '_Theoretical_auto_relaxation_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Software_label' _Item.ID 3892 _Item.Name '_Theoretical_auto_relaxation_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_auto_relaxation_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Method_ID' _Item.ID 3893 _Item.Name '_Theoretical_auto_relaxation_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Method_label' _Item.ID 3894 _Item.Name '_Theoretical_auto_relaxation_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_auto_relaxation_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Sf_ID' _Item.ID 3895 _Item.Name '_Theoretical_auto_relaxation_software.Sf_ID' _Item.Description ; Pointer to '_Theoretical_auto_relaxation_list.Sf_ID' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Entry_ID' _Item.ID 3896 _Item.Name '_Theoretical_auto_relaxation_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation_software.Theoretical_auto_relaxation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation_software.Theoretical_auto_relaxation_list_ID' _Item.ID 3897 _Item.Name '_Theoretical_auto_relaxation_software.Theoretical_auto_relaxation_list_ID' _Item.Description ; Pointer to '_Theoretical_auto_relaxation_list.ID' ; _Item.Category_ID 280 _Item.Category_label $Theoretical_auto_relaxation_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_auto_relaxation _Category.Sf_category category_description _Category.Sf_framecode Theoretical_auto_relaxation _Category.ID 281 _Category.Name 'Theoretical_auto_relaxation' _category.Description ; Items in the theoretical_auto_relaxation category capture theoretical auto relaxation values for defined nuclei in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 67 _Category.Category_group_name theoretical_auto_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3898 $_Theoretical_auto_relaxation.ID '_Theoretical_auto_relaxation.ID' 3919 $_Theoretical_auto_relaxation.Entry_ID '_Theoretical_auto_relaxation.Entry_ID' 3920 $_Theoretical_auto_relaxation.Theoretical_auto_relaxation_list_ID '_Theoretical_auto_relaxation.Theoretical_auto_relaxation_list_ID' 281 NMR-STAR stop_ save_ save__Theoretical_auto_relaxation.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.ID' _Item.ID 3898 _Item.Name '_Theoretical_auto_relaxation.ID' _Item.Description ; Unique identifier for the observed relaxation value. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Assembly_ID' _Item.ID 3899 _Item.Name '_Theoretical_auto_relaxation.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Assembly_atom_ID' _Item.ID 3900 _Item.Name '_Theoretical_auto_relaxation.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Entity_assembly_ID' _Item.ID 3901 _Item.Name '_Theoretical_auto_relaxation.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Entity_ID' _Item.ID 3902 _Item.Name '_Theoretical_auto_relaxation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Comp_index_ID' _Item.ID 3903 _Item.Name '_Theoretical_auto_relaxation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Seq_ID' _Item.ID 3904 _Item.Name '_Theoretical_auto_relaxation.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Comp_ID' _Item.ID 3905 _Item.Name '_Theoretical_auto_relaxation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Atom_ID' _Item.ID 3906 _Item.Name '_Theoretical_auto_relaxation.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Theoretical_auto_relaxation.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Atom_type' _Item.ID 3907 _Item.Name '_Theoretical_auto_relaxation.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Atom_isotope_number' _Item.ID 3908 _Item.Name '_Theoretical_auto_relaxation.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Auto_relaxation_val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Auto_relaxation_val' _Item.ID 3909 _Item.Name '_Theoretical_auto_relaxation.Auto_relaxation_val' _Item.Description ; The relaxation value. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_auto_relaxation.Auto_relaxation_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Auto_relaxation_val_err' _Item.ID 3910 _Item.Name '_Theoretical_auto_relaxation.Auto_relaxation_val_err' _Item.Description ; The estimated error in the reported relaxation value. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_auto_relaxation.Rex_val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Rex_val' _Item.ID 3911 _Item.Name '_Theoretical_auto_relaxation.Rex_val' _Item.Description ; The exchange broadening contribution value. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_auto_relaxation.Rex_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Rex_val_err' _Item.ID 3912 _Item.Name '_Theoretical_auto_relaxation.Rex_val_err' _Item.Description ; The estimated error in the fitted exchange broadening contribution value. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_auto_relaxation.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Resonance_ID' _Item.ID 3913 _Item.Name '_Theoretical_auto_relaxation.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Auth_entity_assembly_ID' _Item.ID 3914 _Item.Name '_Theoretical_auto_relaxation.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Auth_seq_ID' _Item.ID 3915 _Item.Name '_Theoretical_auto_relaxation.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Auth_comp_ID' _Item.ID 3916 _Item.Name '_Theoretical_auto_relaxation.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Auth_atom_ID' _Item.ID 3917 _Item.Name '_Theoretical_auto_relaxation.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Sf_ID' _Item.ID 3918 _Item.Name '_Theoretical_auto_relaxation.Sf_ID' _Item.Description ; Pointer to '_Theoretical_auto_relaxation_list.Sf_ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_auto_relaxation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Entry_ID' _Item.ID 3919 _Item.Name '_Theoretical_auto_relaxation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_auto_relaxation.Theoretical_auto_relaxation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_auto_relaxation.Theoretical_auto_relaxation_list_ID' _Item.ID 3920 _Item.Name '_Theoretical_auto_relaxation.Theoretical_auto_relaxation_list_ID' _Item.Description ; Pointer to '_Theoretical_auto_relaxation_list.ID' ; _Item.Category_ID 281 _Item.Category_label $Theoretical_auto_relaxation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dipole_dipole_relax_list _Category.Sf_category category_description _Category.Sf_framecode Dipole_dipole_relax_list _Category.ID 282 _Category.Name 'Dipole_dipole_relax_list' _category.Description ; Items in the dipole_dipole_relax_list category provide information about a list of reported dipole-dipole relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 68 _Category.Category_group_name dipole_dipole_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3923 $_Dipole_dipole_relax_list.Entry_ID '_Dipole_dipole_relax_list.Entry_ID' 3925 $_Dipole_dipole_relax_list.ID '_Dipole_dipole_relax_list.ID' 282 NMR-STAR stop_ save_ save__Dipole_dipole_relax_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Sf_category' _Item.ID 3921 _Item.Name '_Dipole_dipole_relax_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Sf_framecode' _Item.ID 3922 _Item.Name '_Dipole_dipole_relax_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Dipole_dipole_relax_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Entry_ID' _Item.ID 3923 _Item.Name '_Dipole_dipole_relax_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Sf_ID' _Item.ID 3924 _Item.Name '_Dipole_dipole_relax_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dipole_dipole_relax_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.ID' _Item.ID 3925 _Item.Name '_Dipole_dipole_relax_list.ID' _Item.Description ; Unique identifier for the list of Dipole-dipole relaxation values. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dipole_dipole_relax_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Name' _Item.ID 3926 _Item.Name '_Dipole_dipole_relax_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipole_dipole_relax_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Data_file_name' _Item.ID 3927 _Item.Name '_Dipole_dipole_relax_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipole_dipole_relax_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Sample_condition_list_ID' _Item.ID 3928 _Item.Name '_Dipole_dipole_relax_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Sample_condition_list_label' _Item.ID 3929 _Item.Name '_Dipole_dipole_relax_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the dipole-dipole relaxation values. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Dipole_dipole_relax_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Spectrometer_frequency_1H' _Item.ID 3930 _Item.Name '_Dipole_dipole_relax_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Dipole_dipole_relax_list.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Val_units' _Item.ID 3931 _Item.Name '_Dipole_dipole_relax_list.Val_units' _Item.Description ; The units used for the reported dipole-dipole relaxation values. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Dipole_dipole_relax_list.Val_units' s-1 ? 3931 282 NMR-STAR '_Dipole_dipole_relax_list.Val_units' ms-1 ? 3931 282 NMR-STAR '_Dipole_dipole_relax_list.Val_units' us-1 ? 3931 282 NMR-STAR stop_ save_ save__Dipole_dipole_relax_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Details' _Item.ID 3932 _Item.Name '_Dipole_dipole_relax_list.Details' _Item.Description ; Text describing the reported dipole-dipole relaxation data. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Dipole_dipole_relax_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Text_data_format' _Item.ID 3933 _Item.Name '_Dipole_dipole_relax_list.Text_data_format' _Item.Description ; The data format used to represent the dipole-dipole relaxation data as ASCII text in the text block that is the value to the '_Dipole_dipole_relax_list.Text_data' tag. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipole_dipole_relax_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_list.Text_data' _Item.ID 3934 _Item.Name '_Dipole_dipole_relax_list.Text_data' _Item.Description ; A set of dipole-dipole relaxation data formatted as ASCII text. ; _Item.Category_ID 282 _Item.Category_label $Dipole_dipole_relax_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Dipole_dipole_relax_experiment _Category.Sf_category category_description _Category.Sf_framecode Dipole_dipole_relax_experiment _Category.ID 283 _Category.Name 'Dipole_dipole_relax_experiment' _category.Description ; Items in the dipole_dipole_relax_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported dipole-dipole relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 68 _Category.Category_group_name dipole_dipole_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3935 $_Dipole_dipole_relax_experiment.Experiment_ID '_Dipole_dipole_relax_experiment.Experiment_ID' 3941 $_Dipole_dipole_relax_experiment.Entry_ID '_Dipole_dipole_relax_experiment.Entry_ID' 3942 $_Dipole_dipole_relax_experiment.Dipole_dipole_relax_list_ID '_Dipole_dipole_relax_experiment.Dipole_dipole_relax_list_ID' 283 NMR-STAR stop_ save_ save__Dipole_dipole_relax_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Experiment_ID' _Item.ID 3935 _Item.Name '_Dipole_dipole_relax_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Experiment_name' _Item.ID 3936 _Item.Name '_Dipole_dipole_relax_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Dipole_dipole_relax_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Sample_ID' _Item.ID 3937 _Item.Name '_Dipole_dipole_relax_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Sample_label' _Item.ID 3938 _Item.Name '_Dipole_dipole_relax_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Dipole_dipole_relax_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Sample_state' _Item.ID 3939 _Item.Name '_Dipole_dipole_relax_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Dipole_dipole_relax_experiment.Sample_state' isotropic ? 3939 283 NMR-STAR '_Dipole_dipole_relax_experiment.Sample_state' anisotropic ? 3939 283 NMR-STAR '_Dipole_dipole_relax_experiment.Sample_state' solid ? 3939 283 NMR-STAR stop_ save_ save__Dipole_dipole_relax_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Sf_ID' _Item.ID 3940 _Item.Name '_Dipole_dipole_relax_experiment.Sf_ID' _Item.Description ; Pointer to '_Dipole_dipole_relax_list.Sf_ID' ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Entry_ID' _Item.ID 3941 _Item.Name '_Dipole_dipole_relax_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax_experiment.Dipole_dipole_relax_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_experiment.Dipole_dipole_relax_list_ID' _Item.ID 3942 _Item.Name '_Dipole_dipole_relax_experiment.Dipole_dipole_relax_list_ID' _Item.Description ; Pointer to '_Dipole_dipole_relax_list.ID' ; _Item.Category_ID 283 _Item.Category_label $Dipole_dipole_relax_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dipole_dipole_relax_software _Category.Sf_category category_description _Category.Sf_framecode Dipole_dipole_relax_software _Category.ID 284 _Category.Name 'Dipole_dipole_relax_software' _category.Description ; Items in the dipole_dipole_relax_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 68 _Category.Category_group_name dipole_dipole_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3943 $_Dipole_dipole_relax_software.Software_ID '_Dipole_dipole_relax_software.Software_ID' 3948 $_Dipole_dipole_relax_software.Entry_ID '_Dipole_dipole_relax_software.Entry_ID' 3949 $_Dipole_dipole_relax_software.Dipole_dipole_relax_list_ID '_Dipole_dipole_relax_software.Dipole_dipole_relax_list_ID' 284 NMR-STAR stop_ save_ save__Dipole_dipole_relax_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Software_ID' _Item.ID 3943 _Item.Name '_Dipole_dipole_relax_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Software_label' _Item.ID 3944 _Item.Name '_Dipole_dipole_relax_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Dipole_dipole_relax_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Method_ID' _Item.ID 3945 _Item.Name '_Dipole_dipole_relax_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Method_label' _Item.ID 3946 _Item.Name '_Dipole_dipole_relax_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Dipole_dipole_relax_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Sf_ID' _Item.ID 3947 _Item.Name '_Dipole_dipole_relax_software.Sf_ID' _Item.Description ; Pointer to '_Dipole_dipole_relax_list.Sf_ID' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Entry_ID' _Item.ID 3948 _Item.Name '_Dipole_dipole_relax_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax_software.Dipole_dipole_relax_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax_software.Dipole_dipole_relax_list_ID' _Item.ID 3949 _Item.Name '_Dipole_dipole_relax_software.Dipole_dipole_relax_list_ID' _Item.Description ; Pointer to '_Dipole_dipole_relax_list.ID' ; _Item.Category_ID 284 _Item.Category_label $Dipole_dipole_relax_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dipole_dipole_relax _Category.Sf_category category_description _Category.Sf_framecode Dipole_dipole_relax _Category.ID 285 _Category.Name 'Dipole_dipole_relax' _category.Description ; Items in the dipole_dipole_relax category describe the dipole-dipole relaxation values assigned to a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 68 _Category.Category_group_name dipole_dipole_relaxation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3950 $_Dipole_dipole_relax.ID '_Dipole_dipole_relax.ID' 3982 $_Dipole_dipole_relax.Entry_ID '_Dipole_dipole_relax.Entry_ID' 3983 $_Dipole_dipole_relax.Dipole_dipole_relax_list_ID '_Dipole_dipole_relax.Dipole_dipole_relax_list_ID' 285 NMR-STAR stop_ save_ save__Dipole_dipole_relax.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.ID' _Item.ID 3950 _Item.Name '_Dipole_dipole_relax.ID' _Item.Description ; Unique identifier for the observed dipole-dipole relaxation value. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Assembly_atom_ID_1' _Item.ID 3951 _Item.Name '_Dipole_dipole_relax.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Entity_assembly_ID_1' _Item.ID 3952 _Item.Name '_Dipole_dipole_relax.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Entity_ID_1' _Item.ID 3953 _Item.Name '_Dipole_dipole_relax.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Comp_index_ID_1' _Item.ID 3954 _Item.Name '_Dipole_dipole_relax.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Seq_ID_1' _Item.ID 3955 _Item.Name '_Dipole_dipole_relax.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Comp_ID_1' _Item.ID 3956 _Item.Name '_Dipole_dipole_relax.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Atom_ID_1' _Item.ID 3957 _Item.Name '_Dipole_dipole_relax.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Dipole_dipole_relax.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Atom_type_1' _Item.ID 3958 _Item.Name '_Dipole_dipole_relax.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Atom_isotope_number_1' _Item.ID 3959 _Item.Name '_Dipole_dipole_relax.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Assembly_atom_ID_2' _Item.ID 3960 _Item.Name '_Dipole_dipole_relax.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Entity_assembly_ID_2' _Item.ID 3961 _Item.Name '_Dipole_dipole_relax.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Entity_ID_2' _Item.ID 3962 _Item.Name '_Dipole_dipole_relax.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Comp_index_ID_2' _Item.ID 3963 _Item.Name '_Dipole_dipole_relax.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Seq_ID_2' _Item.ID 3964 _Item.Name '_Dipole_dipole_relax.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Comp_ID_2' _Item.ID 3965 _Item.Name '_Dipole_dipole_relax.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Atom_ID_2' _Item.ID 3966 _Item.Name '_Dipole_dipole_relax.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Dipole_dipole_relax.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Atom_type_2' _Item.ID 3967 _Item.Name '_Dipole_dipole_relax.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Atom_isotope_number_2' _Item.ID 3968 _Item.Name '_Dipole_dipole_relax.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Val _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Val' _Item.ID 3969 _Item.Name '_Dipole_dipole_relax.Val' _Item.Description ; The dipole-dipole relaxation value. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Dipole_dipole_relax.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Val_err' _Item.ID 3970 _Item.Name '_Dipole_dipole_relax.Val_err' _Item.Description ; The estimated error in the reported dipole-dipole relaxation value. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dipole_dipole_relax.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Resonance_ID_1' _Item.ID 3971 _Item.Name '_Dipole_dipole_relax.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Resonance_ID_2' _Item.ID 3972 _Item.Name '_Dipole_dipole_relax.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_entity_assembly_ID_1' _Item.ID 3973 _Item.Name '_Dipole_dipole_relax.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_seq_ID_1' _Item.ID 3974 _Item.Name '_Dipole_dipole_relax.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_comp_ID_1' _Item.ID 3975 _Item.Name '_Dipole_dipole_relax.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_atom_ID_1' _Item.ID 3976 _Item.Name '_Dipole_dipole_relax.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_entity_assembly_ID_2' _Item.ID 3977 _Item.Name '_Dipole_dipole_relax.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_seq_ID_2' _Item.ID 3978 _Item.Name '_Dipole_dipole_relax.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_comp_ID_2' _Item.ID 3979 _Item.Name '_Dipole_dipole_relax.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Auth_atom_ID_2' _Item.ID 3980 _Item.Name '_Dipole_dipole_relax.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Sf_ID' _Item.ID 3981 _Item.Name '_Dipole_dipole_relax.Sf_ID' _Item.Description ; Pointer to '_Dipole_dipole_relax_list.Sf_ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dipole_dipole_relax.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Entry_ID' _Item.ID 3982 _Item.Name '_Dipole_dipole_relax.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dipole_dipole_relax.Dipole_dipole_relax_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dipole_dipole_relax.Dipole_dipole_relax_list_ID' _Item.ID 3983 _Item.Name '_Dipole_dipole_relax.Dipole_dipole_relax_list_ID' _Item.Description ; Pointer to '_Dipole_dipole_relax_list.ID' ; _Item.Category_ID 285 _Item.Category_label $Dipole_dipole_relax _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Cross_correlation_DD_list _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_DD_list _Category.ID 286 _Category.Name 'Cross_correlation_DD_list' _category.Description ; Items in the cross_correlation_DD_list category provide information about a list of reported dipole-dipole cross correlation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 69 _Category.Category_group_name dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3986 $_Cross_correlation_DD_list.Entry_ID '_Cross_correlation_DD_list.Entry_ID' 3988 $_Cross_correlation_DD_list.ID '_Cross_correlation_DD_list.ID' 286 NMR-STAR stop_ save_ save__Cross_correlation_DD_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Sf_category' _Item.ID 3984 _Item.Name '_Cross_correlation_DD_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_DD_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Sf_framecode' _Item.ID 3985 _Item.Name '_Cross_correlation_DD_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Cross_correlation_DD_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Entry_ID' _Item.ID 3986 _Item.Name '_Cross_correlation_DD_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_DD_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Sf_ID' _Item.ID 3987 _Item.Name '_Cross_correlation_DD_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Cross_correlation_DD_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.ID' _Item.ID 3988 _Item.Name '_Cross_correlation_DD_list.ID' _Item.Description ; Unique identifier for the list of cross-correlation values. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Cross_correlation_DD_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Name' _Item.ID 3989 _Item.Name '_Cross_correlation_DD_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_DD_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Data_file_name' _Item.ID 3990 _Item.Name '_Cross_correlation_DD_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_DD_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Sample_condition_list_ID' _Item.ID 3991 _Item.Name '_Cross_correlation_DD_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Sample_condition_list_label' _Item.ID 3992 _Item.Name '_Cross_correlation_DD_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the cross-correlation values. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Cross_correlation_DD_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Spectrometer_frequency_1H' _Item.ID 3993 _Item.Name '_Cross_correlation_DD_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Cross_correlation_DD_list.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Val_units' _Item.ID 3994 _Item.Name '_Cross_correlation_DD_list.Val_units' _Item.Description ; Units for the cross correlation values reported. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Cross_correlation_DD_list.Val_units' s-1 ? 3994 286 NMR-STAR '_Cross_correlation_DD_list.Val_units' ms-1 ? 3994 286 NMR-STAR '_Cross_correlation_DD_list.Val_units' us-1 ? 3994 286 NMR-STAR stop_ save_ save__Cross_correlation_DD_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Details' _Item.ID 3995 _Item.Name '_Cross_correlation_DD_list.Details' _Item.Description ; Text describing the reported cross correlation data. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Cross_correlation_DD_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Text_data_format' _Item.ID 3996 _Item.Name '_Cross_correlation_DD_list.Text_data_format' _Item.Description ; The data format used to represent the cross-correlation dipole-dipole relaxation data as ASCII text in the text block that is the value to the '_Cross_correlation_DD_list.Text_data' tag. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_DD_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_list.Text_data' _Item.ID 3997 _Item.Name '_Cross_correlation_DD_list.Text_data' _Item.Description ; A set of cross-correlation dipole-dipole relaxation data formatted as ASCII text. ; _Item.Category_ID 286 _Item.Category_label $Cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Cross_correlation_DD_experiment _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_DD_experiment _Category.ID 287 _Category.Name 'Cross_correlation_DD_experiment' _category.Description ; Items in the cross_correlation_DD_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported cross-correlation dipole-dipole relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 69 _Category.Category_group_name dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 3998 $_Cross_correlation_DD_experiment.Experiment_ID '_Cross_correlation_DD_experiment.Experiment_ID' 4004 $_Cross_correlation_DD_experiment.Entry_ID '_Cross_correlation_DD_experiment.Entry_ID' 4005 $_Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID '_Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID' 287 NMR-STAR stop_ save_ save__Cross_correlation_DD_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Experiment_ID' _Item.ID 3998 _Item.Name '_Cross_correlation_DD_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Experiment_name' _Item.ID 3999 _Item.Name '_Cross_correlation_DD_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_DD_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Sample_ID' _Item.ID 4000 _Item.Name '_Cross_correlation_DD_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Sample_label' _Item.ID 4001 _Item.Name '_Cross_correlation_DD_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Cross_correlation_DD_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Sample_state' _Item.ID 4002 _Item.Name '_Cross_correlation_DD_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Cross_correlation_DD_experiment.Sample_state' isotropic ? 4002 287 NMR-STAR '_Cross_correlation_DD_experiment.Sample_state' anisotropic ? 4002 287 NMR-STAR '_Cross_correlation_DD_experiment.Sample_state' solid ? 4002 287 NMR-STAR stop_ save_ save__Cross_correlation_DD_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Sf_ID' _Item.ID 4003 _Item.Name '_Cross_correlation_DD_experiment.Sf_ID' _Item.Description ; Pointer to '_Cross_correlation_DD_list.Sf_ID' ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Entry_ID' _Item.ID 4004 _Item.Name '_Cross_correlation_DD_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID' _Item.ID 4005 _Item.Name '_Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID' _Item.Description ; Pointer to '_Cross_correlation_DD_list.ID' ; _Item.Category_ID 287 _Item.Category_label $Cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Cross_correlation_DD_software _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_DD_software _Category.ID 288 _Category.Name 'Cross_correlation_DD_software' _category.Description ; Items in the cross_correlation_DD_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 69 _Category.Category_group_name dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4006 $_Cross_correlation_DD_software.Software_ID '_Cross_correlation_DD_software.Software_ID' 4011 $_Cross_correlation_DD_software.Entry_ID '_Cross_correlation_DD_software.Entry_ID' 4012 $_Cross_correlation_DD_software.Cross_correlation_DD_list_ID '_Cross_correlation_DD_software.Cross_correlation_DD_list_ID' 288 NMR-STAR stop_ save_ save__Cross_correlation_DD_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Software_ID' _Item.ID 4006 _Item.Name '_Cross_correlation_DD_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Software_label' _Item.ID 4007 _Item.Name '_Cross_correlation_DD_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Cross_correlation_DD_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Method_ID' _Item.ID 4008 _Item.Name '_Cross_correlation_DD_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Method_label' _Item.ID 4009 _Item.Name '_Cross_correlation_DD_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Cross_correlation_DD_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Sf_ID' _Item.ID 4010 _Item.Name '_Cross_correlation_DD_software.Sf_ID' _Item.Description ; Pointer to '_Cross_correlation_DD_list.Sf_ID' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Entry_ID' _Item.ID 4011 _Item.Name '_Cross_correlation_DD_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_DD_software.Cross_correlation_DD_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD_software.Cross_correlation_DD_list_ID' _Item.ID 4012 _Item.Name '_Cross_correlation_DD_software.Cross_correlation_DD_list_ID' _Item.Description ; Pointer to '_Cross_correlation_DD_list.ID' ; _Item.Category_ID 288 _Item.Category_label $Cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Cross_correlation_DD _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_DD _Category.ID 289 _Category.Name 'Cross_correlation_DD' _category.Description ; Items in the cross_correlation_DD category describe the dipole-dipole cross-correlation values assigned to a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 69 _Category.Category_group_name dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4013 $_Cross_correlation_DD.ID '_Cross_correlation_DD.ID' 4073 $_Cross_correlation_DD.Entry_ID '_Cross_correlation_DD.Entry_ID' 4074 $_Cross_correlation_DD.Cross_correlation_DD_list_ID '_Cross_correlation_DD.Cross_correlation_DD_list_ID' 289 NMR-STAR stop_ save_ save__Cross_correlation_DD.ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.ID' _Item.ID 4013 _Item.Name '_Cross_correlation_DD.ID' _Item.Description ; Unique identifier for the observed cross-correlation value. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_assembly_atom_ID_1' _Item.ID 4014 _Item.Name '_Cross_correlation_DD.Dipole_1_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_entity_assembly_ID_1' _Item.ID 4015 _Item.Name '_Cross_correlation_DD.Dipole_1_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_entity_ID_1' _Item.ID 4016 _Item.Name '_Cross_correlation_DD.Dipole_1_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_comp_index_ID_1' _Item.ID 4017 _Item.Name '_Cross_correlation_DD.Dipole_1_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_seq_ID_1' _Item.ID 4018 _Item.Name '_Cross_correlation_DD.Dipole_1_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_comp_ID_1' _Item.ID 4019 _Item.Name '_Cross_correlation_DD.Dipole_1_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_atom_ID_1' _Item.ID 4020 _Item.Name '_Cross_correlation_DD.Dipole_1_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_DD.Dipole_1_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_atom_type_1' _Item.ID 4021 _Item.Name '_Cross_correlation_DD.Dipole_1_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_atom_isotope_number_1' _Item.ID 4022 _Item.Name '_Cross_correlation_DD.Dipole_1_atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_assembly_atom_ID_2' _Item.ID 4023 _Item.Name '_Cross_correlation_DD.Dipole_1_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_entity_assembly_ID_2' _Item.ID 4024 _Item.Name '_Cross_correlation_DD.Dipole_1_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_entity_ID_2' _Item.ID 4025 _Item.Name '_Cross_correlation_DD.Dipole_1_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_comp_index_ID_2' _Item.ID 4026 _Item.Name '_Cross_correlation_DD.Dipole_1_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_seq_ID_2' _Item.ID 4027 _Item.Name '_Cross_correlation_DD.Dipole_1_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_comp_ID_2' _Item.ID 4028 _Item.Name '_Cross_correlation_DD.Dipole_1_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_atom_ID_2' _Item.ID 4029 _Item.Name '_Cross_correlation_DD.Dipole_1_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_DD.Dipole_1_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_atom_type_2' _Item.ID 4030 _Item.Name '_Cross_correlation_DD.Dipole_1_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_atom_isotope_number_2' _Item.ID 4031 _Item.Name '_Cross_correlation_DD.Dipole_1_atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_assembly_atom_ID_1' _Item.ID 4032 _Item.Name '_Cross_correlation_DD.Dipole_2_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_entity_assembly_ID_1' _Item.ID 4033 _Item.Name '_Cross_correlation_DD.Dipole_2_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_entity_ID_1' _Item.ID 4034 _Item.Name '_Cross_correlation_DD.Dipole_2_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_comp_index_ID_1' _Item.ID 4035 _Item.Name '_Cross_correlation_DD.Dipole_2_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_seq_ID_1' _Item.ID 4036 _Item.Name '_Cross_correlation_DD.Dipole_2_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_comp_ID_1' _Item.ID 4037 _Item.Name '_Cross_correlation_DD.Dipole_2_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_atom_ID_1' _Item.ID 4038 _Item.Name '_Cross_correlation_DD.Dipole_2_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_DD.Dipole_2_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_atom_type_1' _Item.ID 4039 _Item.Name '_Cross_correlation_DD.Dipole_2_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_atom_isotope_number_1' _Item.ID 4040 _Item.Name '_Cross_correlation_DD.Dipole_2_atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_assembly_atom_ID_2' _Item.ID 4041 _Item.Name '_Cross_correlation_DD.Dipole_2_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_entity_assembly_ID_2' _Item.ID 4042 _Item.Name '_Cross_correlation_DD.Dipole_2_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_entity_ID_2' _Item.ID 4043 _Item.Name '_Cross_correlation_DD.Dipole_2_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_chem_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_chem_comp_index_ID_2' _Item.ID 4044 _Item.Name '_Cross_correlation_DD.Dipole_2_chem_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_seq_ID_2' _Item.ID 4045 _Item.Name '_Cross_correlation_DD.Dipole_2_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_comp_ID_2' _Item.ID 4046 _Item.Name '_Cross_correlation_DD.Dipole_2_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_atom_ID_2' _Item.ID 4047 _Item.Name '_Cross_correlation_DD.Dipole_2_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_DD.Dipole_2_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_atom_type_2' _Item.ID 4048 _Item.Name '_Cross_correlation_DD.Dipole_2_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_atom_isotope_number_2' _Item.ID 4049 _Item.Name '_Cross_correlation_DD.Dipole_2_atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Val _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Val' _Item.ID 4050 _Item.Name '_Cross_correlation_DD.Val' _Item.Description ; The cross-correlation dipole-dipole relaxation value. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Cross_correlation_DD.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Val_err' _Item.ID 4051 _Item.Name '_Cross_correlation_DD.Val_err' _Item.Description ; The estimated error in the reported cross-correlation dipole-dipole relaxation value. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Cross_correlation_DD.Dipole_1_Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_Resonance_ID_1' _Item.ID 4052 _Item.Name '_Cross_correlation_DD.Dipole_1_Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_Resonance_ID_2' _Item.ID 4053 _Item.Name '_Cross_correlation_DD.Dipole_1_Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_Resonance_ID_1' _Item.ID 4054 _Item.Name '_Cross_correlation_DD.Dipole_2_Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_2_Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_Resonance_ID_2' _Item.ID 4055 _Item.Name '_Cross_correlation_DD.Dipole_2_Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1' _Item.ID 4056 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_seq_ID_1' _Item.ID 4057 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_comp_ID_1' _Item.ID 4058 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_atom_ID_1' _Item.ID 4059 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_2' _Item.ID 4060 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_seq_ID_2' _Item.ID 4061 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_comp_ID_2' _Item.ID 4062 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_1_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_1_auth_atom_ID_2' _Item.ID 4063 _Item.Name '_Cross_correlation_DD.Dipole_1_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1' _Item.ID 4064 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_seq_ID_1' _Item.ID 4065 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_comp_ID_1' _Item.ID 4066 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_atom_ID_1' _Item.ID 4067 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_2' _Item.ID 4068 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_seq_ID_2' _Item.ID 4069 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_comp_ID_2' _Item.ID 4070 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Dipole_2_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Dipole_2_auth_atom_ID_2' _Item.ID 4071 _Item.Name '_Cross_correlation_DD.Dipole_2_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_DD.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Sf_ID' _Item.ID 4072 _Item.Name '_Cross_correlation_DD.Sf_ID' _Item.Description ; Pointer to '_Cross_correlation_DD_list.Sf_ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_DD.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Entry_ID' _Item.ID 4073 _Item.Name '_Cross_correlation_DD.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_DD.Cross_correlation_DD_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_DD.Cross_correlation_DD_list_ID' _Item.ID 4074 _Item.Name '_Cross_correlation_DD.Cross_correlation_DD_list_ID' _Item.Description ; Pointer to '_Cross_correlation_DD_list.ID' ; _Item.Category_ID 289 _Item.Category_label $Cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_cross_correlation_DD_list _Category.Sf_category category_description _Category.Sf_framecode Theoretical_cross_correlation_DD_list _Category.ID 290 _Category.Name 'Theoretical_cross_correlation_DD_list' _category.Description ; Items in the theoretical_cross_correlation_DD_list category provide information about a list of reported theoretical dipole-dipole cross correlation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 70 _Category.Category_group_name theoretical_dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4077 $_Theoretical_cross_correlation_DD_list.Entry_ID '_Theoretical_cross_correlation_DD_list.Entry_ID' 4079 $_Theoretical_cross_correlation_DD_list.ID '_Theoretical_cross_correlation_DD_list.ID' 290 NMR-STAR stop_ save_ save__Theoretical_cross_correlation_DD_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Sf_category' _Item.ID 4075 _Item.Name '_Theoretical_cross_correlation_DD_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Sf_framecode' _Item.ID 4076 _Item.Name '_Theoretical_cross_correlation_DD_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Theoretical_cross_correlation_DD_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Entry_ID' _Item.ID 4077 _Item.Name '_Theoretical_cross_correlation_DD_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Sf_ID' _Item.ID 4078 _Item.Name '_Theoretical_cross_correlation_DD_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_cross_correlation_DD_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.ID' _Item.ID 4079 _Item.Name '_Theoretical_cross_correlation_DD_list.ID' _Item.Description ; Unique identifier for the list of theoretical cross-correlation values. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Theoretical_cross_correlation_DD_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Name' _Item.ID 4080 _Item.Name '_Theoretical_cross_correlation_DD_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_cross_correlation_DD_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Data_file_name' _Item.ID 4081 _Item.Name '_Theoretical_cross_correlation_DD_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_cross_correlation_DD_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Sample_condition_list_ID' _Item.ID 4082 _Item.Name '_Theoretical_cross_correlation_DD_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Sample_condition_list_label' _Item.ID 4083 _Item.Name '_Theoretical_cross_correlation_DD_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the cross-correlation values. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_cross_correlation_DD_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Spectrometer_frequency_1H' _Item.ID 4084 _Item.Name '_Theoretical_cross_correlation_DD_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_cross_correlation_DD_list.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Val_units' _Item.ID 4085 _Item.Name '_Theoretical_cross_correlation_DD_list.Val_units' _Item.Description ; Units for the cross correlation values reported. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_cross_correlation_DD_list.Val_units' s-1 ? 4085 290 NMR-STAR '_Theoretical_cross_correlation_DD_list.Val_units' ms-1 ? 4085 290 NMR-STAR '_Theoretical_cross_correlation_DD_list.Val_units' us-1 ? 4085 290 NMR-STAR stop_ save_ save__Theoretical_cross_correlation_DD_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Details' _Item.ID 4086 _Item.Name '_Theoretical_cross_correlation_DD_list.Details' _Item.Description ; Text describing the reported cross correlation data. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Theoretical_cross_correlation_DD_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Text_data_format' _Item.ID 4087 _Item.Name '_Theoretical_cross_correlation_DD_list.Text_data_format' _Item.Description ; The data format used to represent the cross-correlation dipole-dipole relaxation data as ASCII text in the text block that is the value to the '_Theoretical_cross_correlation_DD_list.Text_data' tag. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_cross_correlation_DD_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_list.Text_data' _Item.ID 4088 _Item.Name '_Theoretical_cross_correlation_DD_list.Text_data' _Item.Description ; A set of cross-correlation dipole-dipole relaxation data formatted as ASCII text. ; _Item.Category_ID 290 _Item.Category_label $Theoretical_cross_correlation_DD_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Theoretical_cross_correlation_DD_experiment _Category.Sf_category category_description _Category.Sf_framecode Theoretical_cross_correlation_DD_experiment _Category.ID 291 _Category.Name 'Theoretical_cross_correlation_DD_experiment' _category.Description ; Items in the theoretical_cross_correlation_DD_experiment category may provide pointers to the NMR experiments and samples modeled to collect the data for a set of reported theoretical cross-correlation dipole-dipole relaxation values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 70 _Category.Category_group_name theoretical_dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4089 $_Theoretical_cross_correlation_DD_experiment.Experiment_ID '_Theoretical_cross_correlation_DD_experiment.Experiment_ID' 4095 $_Theoretical_cross_correlation_DD_experiment.Entry_ID '_Theoretical_cross_correlation_DD_experiment.Entry_ID' 4096 $_Theoretical_cross_correlation_DD_experiment.Theoretical_cross_correlation_DD_list_ID '_Theoretical_cross_correlation_DD_experiment.Theoretical_cross_correlation_DD_list_ID' 291 NMR-STAR stop_ save_ save__Theoretical_cross_correlation_DD_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Experiment_ID' _Item.ID 4089 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Experiment_name' _Item.ID 4090 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Theoretical_cross_correlation_DD_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Sample_ID' _Item.ID 4091 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Sample_label' _Item.ID 4092 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_cross_correlation_DD_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Sample_state' _Item.ID 4093 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Theoretical_cross_correlation_DD_experiment.Sample_state' isotropic ? 4093 291 NMR-STAR '_Theoretical_cross_correlation_DD_experiment.Sample_state' anisotropic ? 4093 291 NMR-STAR '_Theoretical_cross_correlation_DD_experiment.Sample_state' solid ? 4093 291 NMR-STAR stop_ save_ save__Theoretical_cross_correlation_DD_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Sf_ID' _Item.ID 4094 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Sf_ID' _Item.Description ; Pointer to '_Theoretical_cross_correlation_DD_list.Sf_ID' ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Entry_ID' _Item.ID 4095 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD_experiment.Theoretical_cross_correlation_DD_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_experiment.Theoretical_cross_correlation_DD_list_ID' _Item.ID 4096 _Item.Name '_Theoretical_cross_correlation_DD_experiment.Theoretical_cross_correlation_DD_list_ID' _Item.Description ; Pointer to '_Theoretical_cross_correlation_DD_list.ID' ; _Item.Category_ID 291 _Item.Category_label $Theoretical_cross_correlation_DD_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_cross_correlation_DD_software _Category.Sf_category category_description _Category.Sf_framecode Theoretical_cross_correlation_DD_software _Category.ID 292 _Category.Name 'Theoretical_cross_correlation_DD_software' _category.Description ; Items in the theoretical_cross_correlation_DD_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to generate the theoretical cross correlation dipole-dipole values can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 70 _Category.Category_group_name theoretical_dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4097 $_Theoretical_cross_correlation_DD_software.Software_ID '_Theoretical_cross_correlation_DD_software.Software_ID' 4102 $_Theoretical_cross_correlation_DD_software.Entry_ID '_Theoretical_cross_correlation_DD_software.Entry_ID' 4103 $_Theoretical_cross_correlation_DD_software.Theoretical_cross_correlation_DD_list_ID '_Theoretical_cross_correlation_DD_software.Theoretical_cross_correlation_DD_list_ID' 292 NMR-STAR stop_ save_ save__Theoretical_cross_correlation_DD_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Software_ID' _Item.ID 4097 _Item.Name '_Theoretical_cross_correlation_DD_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Software_label' _Item.ID 4098 _Item.Name '_Theoretical_cross_correlation_DD_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Theoretical_cross_correlation_DD_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Method_ID' _Item.ID 4099 _Item.Name '_Theoretical_cross_correlation_DD_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Method_label' _Item.ID 4100 _Item.Name '_Theoretical_cross_correlation_DD_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Theoretical_cross_correlation_DD_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Sf_ID' _Item.ID 4101 _Item.Name '_Theoretical_cross_correlation_DD_software.Sf_ID' _Item.Description ; Pointer to '_Theoretical_cross_correlation_DD_list.Sf_ID' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Entry_ID' _Item.ID 4102 _Item.Name '_Theoretical_cross_correlation_DD_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD_software.Theoretical_cross_correlation_DD_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD_software.Theoretical_cross_correlation_DD_list_ID' _Item.ID 4103 _Item.Name '_Theoretical_cross_correlation_DD_software.Theoretical_cross_correlation_DD_list_ID' _Item.Description ; Pointer to '_Theoretical_cross_correlation_DD_list.ID' ; _Item.Category_ID 292 _Item.Category_label $Theoretical_cross_correlation_DD_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Theoretical_cross_correlation_DD _Category.Sf_category category_description _Category.Sf_framecode Theoretical_cross_correlation_DD _Category.ID 293 _Category.Name 'Theoretical_cross_correlation_DD' _category.Description ; Items in the theoretical_cross_correlation_DD category describe the theoretical cross-correlation dipole-dipole values assigned to a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 70 _Category.Category_group_name theoretical_dipole_dipole_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4104 $_Theoretical_cross_correlation_DD.ID '_Theoretical_cross_correlation_DD.ID' 4164 $_Theoretical_cross_correlation_DD.Entry_ID '_Theoretical_cross_correlation_DD.Entry_ID' 4165 $_Theoretical_cross_correlation_DD.Theoretical_cross_correlation_DD_list_ID '_Theoretical_cross_correlation_DD.Theoretical_cross_correlation_DD_list_ID' 293 NMR-STAR stop_ save_ save__Theoretical_cross_correlation_DD.ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.ID' _Item.ID 4104 _Item.Name '_Theoretical_cross_correlation_DD.ID' _Item.Description ; Unique identifier for the theoretical cross-correlation value. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_assembly_atom_ID_1' _Item.ID 4105 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_entity_assembly_ID_1' _Item.ID 4106 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_entity_ID_1' _Item.ID 4107 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_comp_index_ID_1' _Item.ID 4108 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_seq_ID_1' _Item.ID 4109 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_comp_ID_1' _Item.ID 4110 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_atom_ID_1' _Item.ID 4111 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Theoretical_cross_correlation_DD.Dipole_1_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_atom_type_1' _Item.ID 4112 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_atom_isotope_number_1' _Item.ID 4113 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_assembly_atom_ID_2' _Item.ID 4114 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_entity_assembly_ID_2' _Item.ID 4115 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_entity_ID_2' _Item.ID 4116 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_comp_index_ID_2' _Item.ID 4117 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_seq_ID_2' _Item.ID 4118 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_comp_ID_2' _Item.ID 4119 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_atom_ID_2' _Item.ID 4120 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Theoretical_cross_correlation_DD.Dipole_1_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_atom_type_2' _Item.ID 4121 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_atom_isotope_number_2' _Item.ID 4122 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_assembly_atom_ID_1' _Item.ID 4123 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_entity_assembly_ID_1' _Item.ID 4124 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_entity_ID_1' _Item.ID 4125 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_comp_index_ID_1' _Item.ID 4126 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_seq_ID_1' _Item.ID 4127 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_comp_ID_1' _Item.ID 4128 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_atom_ID_1' _Item.ID 4129 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Theoretical_cross_correlation_DD.Dipole_2_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_atom_type_1' _Item.ID 4130 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_atom_isotope_number_1' _Item.ID 4131 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_assembly_atom_ID_2' _Item.ID 4132 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_entity_assembly_ID_2' _Item.ID 4133 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_entity_ID_2' _Item.ID 4134 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_chem_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_chem_comp_index_ID_2' _Item.ID 4135 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_chem_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_seq_ID_2' _Item.ID 4136 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_comp_ID_2' _Item.ID 4137 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_atom_ID_2' _Item.ID 4138 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Theoretical_cross_correlation_DD.Dipole_2_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_atom_type_2' _Item.ID 4139 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_atom_isotope_number_2' _Item.ID 4140 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Val _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Val' _Item.ID 4141 _Item.Name '_Theoretical_cross_correlation_DD.Val' _Item.Description ; The theoretical cross-correlation dipole-dipole relaxation value. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Theoretical_cross_correlation_DD.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Val_err' _Item.ID 4142 _Item.Name '_Theoretical_cross_correlation_DD.Val_err' _Item.Description ; The estimated error in the reported theoretical cross-correlation dipole-dipole relaxation value. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Theoretical_cross_correlation_DD.Dipole_1_Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_Resonance_ID_1' _Item.ID 4143 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_Resonance_ID_2' _Item.ID 4144 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_Resonance_ID_1' _Item.ID 4145 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_2_Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_Resonance_ID_2' _Item.ID 4146 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1' _Item.ID 4147 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_seq_ID_1' _Item.ID 4148 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_comp_ID_1' _Item.ID 4149 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_atom_ID_1' _Item.ID 4150 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_2' _Item.ID 4151 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_seq_ID_2' _Item.ID 4152 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_comp_ID_2' _Item.ID 4153 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_1_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_1_auth_atom_ID_2' _Item.ID 4154 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_1_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1' _Item.ID 4155 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_seq_ID_1' _Item.ID 4156 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_comp_ID_1' _Item.ID 4157 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_atom_ID_1' _Item.ID 4158 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_2' _Item.ID 4159 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_seq_ID_2' _Item.ID 4160 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_comp_ID_2' _Item.ID 4161 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Dipole_2_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Dipole_2_auth_atom_ID_2' _Item.ID 4162 _Item.Name '_Theoretical_cross_correlation_DD.Dipole_2_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Sf_ID' _Item.ID 4163 _Item.Name '_Theoretical_cross_correlation_DD.Sf_ID' _Item.Description ; Pointer to '_Theoretical_cross_correlation_DD_list.Sf_ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Theoretical_cross_correlation_DD.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Entry_ID' _Item.ID 4164 _Item.Name '_Theoretical_cross_correlation_DD.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Theoretical_cross_correlation_DD.Theoretical_cross_correlation_DD_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Theoretical_cross_correlation_DD.Theoretical_cross_correlation_DD_list_ID' _Item.ID 4165 _Item.Name '_Theoretical_cross_correlation_DD.Theoretical_cross_correlation_DD_list_ID' _Item.Description ; Pointer to '_Theoretical_cross_correlation_DD_list.ID' ; _Item.Category_ID 293 _Item.Category_label $Theoretical_cross_correlation_DD _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Cross_correlation_D_CSA_list _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_D_CSA_list _Category.ID 294 _Category.Name 'Cross_correlation_D_CSA_list' _category.Description ; Items in the cross_correlation_D_CSA_list category provide information about a list of reported dipole-chemical shift anisotropy cross correlation values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 71 _Category.Category_group_name dipole_CSA_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4168 $_Cross_correlation_D_CSA_list.Entry_ID '_Cross_correlation_D_CSA_list.Entry_ID' 4170 $_Cross_correlation_D_CSA_list.ID '_Cross_correlation_D_CSA_list.ID' 294 NMR-STAR stop_ save_ save__Cross_correlation_D_CSA_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Sf_category' _Item.ID 4166 _Item.Name '_Cross_correlation_D_CSA_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Sf_framecode' _Item.ID 4167 _Item.Name '_Cross_correlation_D_CSA_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Cross_correlation_D_CSA_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Entry_ID' _Item.ID 4168 _Item.Name '_Cross_correlation_D_CSA_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Sf_ID' _Item.ID 4169 _Item.Name '_Cross_correlation_D_CSA_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Cross_correlation_D_CSA_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.ID' _Item.ID 4170 _Item.Name '_Cross_correlation_D_CSA_list.ID' _Item.Description ; Unique identifier for the list of cross-correlation values. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Cross_correlation_D_CSA_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Name' _Item.ID 4171 _Item.Name '_Cross_correlation_D_CSA_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_D_CSA_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Data_file_name' _Item.ID 4172 _Item.Name '_Cross_correlation_D_CSA_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_D_CSA_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Sample_condition_list_ID' _Item.ID 4173 _Item.Name '_Cross_correlation_D_CSA_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Sample_condition_list_label' _Item.ID 4174 _Item.Name '_Cross_correlation_D_CSA_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the cross-correlation values. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Cross_correlation_D_CSA_list.Spectrometer_frequency_1H _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Spectrometer_frequency_1H' _Item.ID 4175 _Item.Name '_Cross_correlation_D_CSA_list.Spectrometer_frequency_1H' _Item.Description ; The operating proton frequency in MHz of the NMR spectrometer used to collect the data. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Cross_correlation_D_CSA_list.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Val_units' _Item.ID 4176 _Item.Name '_Cross_correlation_D_CSA_list.Val_units' _Item.Description ; Units for the cross correlation values reported. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Cross_correlation_D_CSA_list.Val_units' s-1 ? 4176 294 NMR-STAR '_Cross_correlation_D_CSA_list.Val_units' ms-1 ? 4176 294 NMR-STAR '_Cross_correlation_D_CSA_list.Val_units' us-1 ? 4176 294 NMR-STAR stop_ save_ save__Cross_correlation_D_CSA_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Details' _Item.ID 4177 _Item.Name '_Cross_correlation_D_CSA_list.Details' _Item.Description ; Text describing the reported cross correlation data. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Cross_correlation_D_CSA_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Text_data_format' _Item.ID 4178 _Item.Name '_Cross_correlation_D_CSA_list.Text_data_format' _Item.Description ; The data format used to represent the cross-correlation dipole-CSA relaxation data as ASCII text in the text block that is the value to the '_Cross_correlation_D_CSA_list.Text_data' tag. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_D_CSA_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_list.Text_data' _Item.ID 4179 _Item.Name '_Cross_correlation_D_CSA_list.Text_data' _Item.Description ; A set of cross-correlation dipole-CSA relaxation data formatted as ASCII text. ; _Item.Category_ID 294 _Item.Category_label $Cross_correlation_D_CSA_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Cross_correlation_D_CSA_experiment _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_D_CSA_experiment _Category.ID 295 _Category.Name 'Cross_correlation_D_CSA_experiment' _category.Description ; Items in the cross_correlation_D_CSA_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported cross-correlation dipole chemical shift anisotropy data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 71 _Category.Category_group_name dipole_CSA_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4180 $_Cross_correlation_D_CSA_experiment.Experiment_ID '_Cross_correlation_D_CSA_experiment.Experiment_ID' 4186 $_Cross_correlation_D_CSA_experiment.Entry_ID '_Cross_correlation_D_CSA_experiment.Entry_ID' 4187 $_Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID '_Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID' 295 NMR-STAR stop_ save_ save__Cross_correlation_D_CSA_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Experiment_ID' _Item.ID 4180 _Item.Name '_Cross_correlation_D_CSA_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Experiment_name' _Item.ID 4181 _Item.Name '_Cross_correlation_D_CSA_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Cross_correlation_D_CSA_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Sample_ID' _Item.ID 4182 _Item.Name '_Cross_correlation_D_CSA_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Sample_label' _Item.ID 4183 _Item.Name '_Cross_correlation_D_CSA_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Cross_correlation_D_CSA_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Sample_state' _Item.ID 4184 _Item.Name '_Cross_correlation_D_CSA_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Cross_correlation_D_CSA_experiment.Sample_state' isotropic ? 4184 295 NMR-STAR '_Cross_correlation_D_CSA_experiment.Sample_state' anisotropic ? 4184 295 NMR-STAR '_Cross_correlation_D_CSA_experiment.Sample_state' solid ? 4184 295 NMR-STAR stop_ save_ save__Cross_correlation_D_CSA_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Sf_ID' _Item.ID 4185 _Item.Name '_Cross_correlation_D_CSA_experiment.Sf_ID' _Item.Description ; Pointer to '_Cross_correlation_D_CSA_list.Sf_ID' ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Entry_ID' _Item.ID 4186 _Item.Name '_Cross_correlation_D_CSA_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID' _Item.ID 4187 _Item.Name '_Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID' _Item.Description ; Pointer to '_Cross_correlation_D_CSA_list.ID' ; _Item.Category_ID 295 _Item.Category_label $Cross_correlation_D_CSA_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Cross_correlation_D_CSA_software _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_D_CSA_software _Category.ID 296 _Category.Name 'Cross_correlation_D_CSA_software' _category.Description ; Items in the cross_correlation_D_CSA_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 71 _Category.Category_group_name dipole_CSA_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4188 $_Cross_correlation_D_CSA_software.Software_ID '_Cross_correlation_D_CSA_software.Software_ID' 4193 $_Cross_correlation_D_CSA_software.Entry_ID '_Cross_correlation_D_CSA_software.Entry_ID' 4194 $_Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID '_Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID' 296 NMR-STAR stop_ save_ save__Cross_correlation_D_CSA_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Software_ID' _Item.ID 4188 _Item.Name '_Cross_correlation_D_CSA_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Software_label' _Item.ID 4189 _Item.Name '_Cross_correlation_D_CSA_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Cross_correlation_D_CSA_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Method_ID' _Item.ID 4190 _Item.Name '_Cross_correlation_D_CSA_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Method_label' _Item.ID 4191 _Item.Name '_Cross_correlation_D_CSA_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Cross_correlation_D_CSA_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Sf_ID' _Item.ID 4192 _Item.Name '_Cross_correlation_D_CSA_software.Sf_ID' _Item.Description ; Pointer to '_Cross_correlation_D_CSA_list.Sf_ID' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Entry_ID' _Item.ID 4193 _Item.Name '_Cross_correlation_D_CSA_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID' _Item.ID 4194 _Item.Name '_Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID' _Item.Description ; Pointer to '_Cross_correlation_D_CSA_list.ID' ; _Item.Category_ID 296 _Item.Category_label $Cross_correlation_D_CSA_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Cross_correlation_D_CSA _Category.Sf_category category_description _Category.Sf_framecode Cross_correlation_D_CSA _Category.ID 297 _Category.Name 'Cross_correlation_D_CSA' _category.Description ; Items in the cross_correlation_D_CSA category describe the dipole-chemical shift anisotropy cross-correlation values assigned to a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 71 _Category.Category_group_name dipole_CSA_cross_correlations _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4195 $_Cross_correlation_D_CSA.ID '_Cross_correlation_D_CSA.ID' 4255 $_Cross_correlation_D_CSA.Entry_ID '_Cross_correlation_D_CSA.Entry_ID' 4256 $_Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID '_Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID' 297 NMR-STAR stop_ save_ save__Cross_correlation_D_CSA.ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.ID' _Item.ID 4195 _Item.Name '_Cross_correlation_D_CSA.ID' _Item.Description ; Unique identifier for the observed cross-correlation value. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1' _Item.ID 4196 _Item.Name '_Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1' _Item.ID 4197 _Item.Name '_Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_entity_ID_1' _Item.ID 4198 _Item.Name '_Cross_correlation_D_CSA.Dipole_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_comp_index_ID_1' _Item.ID 4199 _Item.Name '_Cross_correlation_D_CSA.Dipole_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_seq_ID_1' _Item.ID 4200 _Item.Name '_Cross_correlation_D_CSA.Dipole_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_comp_ID_1' _Item.ID 4201 _Item.Name '_Cross_correlation_D_CSA.Dipole_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_atom_ID_1' _Item.ID 4202 _Item.Name '_Cross_correlation_D_CSA.Dipole_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_D_CSA.Dipole_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_atom_type_1' _Item.ID 4203 _Item.Name '_Cross_correlation_D_CSA.Dipole_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_atom_isotope_number_1' _Item.ID 4204 _Item.Name '_Cross_correlation_D_CSA.Dipole_atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_assembly_atom_ID_2' _Item.ID 4205 _Item.Name '_Cross_correlation_D_CSA.Dipole_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_entity_assembly_ID_2' _Item.ID 4206 _Item.Name '_Cross_correlation_D_CSA.Dipole_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_entity_ID_2' _Item.ID 4207 _Item.Name '_Cross_correlation_D_CSA.Dipole_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_comp_index_ID_2' _Item.ID 4208 _Item.Name '_Cross_correlation_D_CSA.Dipole_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_seq_ID_2' _Item.ID 4209 _Item.Name '_Cross_correlation_D_CSA.Dipole_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_comp_ID_2' _Item.ID 4210 _Item.Name '_Cross_correlation_D_CSA.Dipole_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_atom_ID_2' _Item.ID 4211 _Item.Name '_Cross_correlation_D_CSA.Dipole_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_D_CSA.Dipole_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_atom_type_2' _Item.ID 4212 _Item.Name '_Cross_correlation_D_CSA.Dipole_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_atom_isotope_number_2' _Item.ID 4213 _Item.Name '_Cross_correlation_D_CSA.Dipole_atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_assembly_atom_ID_1' _Item.ID 4214 _Item.Name '_Cross_correlation_D_CSA.CSA_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_entity_assembly_ID_1' _Item.ID 4215 _Item.Name '_Cross_correlation_D_CSA.CSA_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_entity_ID_1' _Item.ID 4216 _Item.Name '_Cross_correlation_D_CSA.CSA_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_comp_index_ID_1' _Item.ID 4217 _Item.Name '_Cross_correlation_D_CSA.CSA_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_seq_ID_1' _Item.ID 4218 _Item.Name '_Cross_correlation_D_CSA.CSA_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_comp_ID_1' _Item.ID 4219 _Item.Name '_Cross_correlation_D_CSA.CSA_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_atom_ID_1' _Item.ID 4220 _Item.Name '_Cross_correlation_D_CSA.CSA_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_D_CSA.CSA_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_atom_type_1' _Item.ID 4221 _Item.Name '_Cross_correlation_D_CSA.CSA_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_atom_isotope_number_1' _Item.ID 4222 _Item.Name '_Cross_correlation_D_CSA.CSA_atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_assembly_atom_ID_2' _Item.ID 4223 _Item.Name '_Cross_correlation_D_CSA.CSA_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_entity_assembly_ID_2' _Item.ID 4224 _Item.Name '_Cross_correlation_D_CSA.CSA_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_entity_ID_2' _Item.ID 4225 _Item.Name '_Cross_correlation_D_CSA.CSA_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_comp_index_ID_2' _Item.ID 4226 _Item.Name '_Cross_correlation_D_CSA.CSA_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_seq_ID_2' _Item.ID 4227 _Item.Name '_Cross_correlation_D_CSA.CSA_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_comp_ID_2' _Item.ID 4228 _Item.Name '_Cross_correlation_D_CSA.CSA_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_atom_ID_2' _Item.ID 4229 _Item.Name '_Cross_correlation_D_CSA.CSA_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Cross_correlation_D_CSA.CSA_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_atom_type_2' _Item.ID 4230 _Item.Name '_Cross_correlation_D_CSA.CSA_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_atom_isotope_number_2' _Item.ID 4231 _Item.Name '_Cross_correlation_D_CSA.CSA_atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Val _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Val' _Item.ID 4232 _Item.Name '_Cross_correlation_D_CSA.Val' _Item.Description ; The cross-correlation dipole-CSA relaxation value. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Cross_correlation_D_CSA.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Val_err' _Item.ID 4233 _Item.Name '_Cross_correlation_D_CSA.Val_err' _Item.Description ; The estimated error in the reported cross-correlation dipole-CSA relaxation value. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_resonance_ID_1' _Item.ID 4234 _Item.Name '_Cross_correlation_D_CSA.Dipole_resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_resonance_ID_2' _Item.ID 4235 _Item.Name '_Cross_correlation_D_CSA.Dipole_resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_resonance_ID_1' _Item.ID 4236 _Item.Name '_Cross_correlation_D_CSA.CSA_resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.CSA_resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_resonance_ID_2' _Item.ID 4237 _Item.Name '_Cross_correlation_D_CSA.CSA_resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1' _Item.ID 4238 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_seq_ID_1' _Item.ID 4239 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_comp_ID_1' _Item.ID 4240 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_atom_ID_1' _Item.ID 4241 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_2' _Item.ID 4242 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_seq_ID_2' _Item.ID 4243 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_comp_ID_2' _Item.ID 4244 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Dipole_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Dipole_auth_atom_ID_2' _Item.ID 4245 _Item.Name '_Cross_correlation_D_CSA.Dipole_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1' _Item.ID 4246 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_seq_ID_1' _Item.ID 4247 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_comp_ID_1' _Item.ID 4248 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_atom_ID_1' _Item.ID 4249 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_2' _Item.ID 4250 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_seq_ID_2' _Item.ID 4251 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_comp_ID_2' _Item.ID 4252 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.CSA_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.CSA_auth_atom_ID_2' _Item.ID 4253 _Item.Name '_Cross_correlation_D_CSA.CSA_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Sf_ID' _Item.ID 4254 _Item.Name '_Cross_correlation_D_CSA.Sf_ID' _Item.Description ; Pointer to '_Cross_correlation_D_CSA_list.Sf_ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Cross_correlation_D_CSA.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Entry_ID' _Item.ID 4255 _Item.Name '_Cross_correlation_D_CSA.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID' _Item.ID 4256 _Item.Name '_Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID' _Item.Description ; Pointer to '_Cross_correlation_D_CSA_list.ID' ; _Item.Category_ID 297 _Item.Category_label $Cross_correlation_D_CSA _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Order_parameter_list _Category.Sf_category category_description _Category.Sf_framecode Order_parameter_list _Category.ID 298 _Category.Name 'Order_parameter_list' _category.Description ; Items in the order_parameter_list category provide information about a list of reported order parameter values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 72 _Category.Category_group_name order_parameters _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4259 $_Order_parameter_list.Entry_ID '_Order_parameter_list.Entry_ID' 4261 $_Order_parameter_list.ID '_Order_parameter_list.ID' 298 NMR-STAR stop_ save_ save__Order_parameter_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Sf_category' _Item.ID 4257 _Item.Name '_Order_parameter_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_parameter_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Sf_framecode' _Item.ID 4258 _Item.Name '_Order_parameter_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Order_parameter_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Entry_ID' _Item.ID 4259 _Item.Name '_Order_parameter_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_parameter_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Sf_ID' _Item.ID 4260 _Item.Name '_Order_parameter_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Order_parameter_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.ID' _Item.ID 4261 _Item.Name '_Order_parameter_list.ID' _Item.Description ; Unique identifier for the list of reported order parameter values. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Order_parameter_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Name' _Item.ID 4262 _Item.Name '_Order_parameter_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Order_parameter_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Data_file_name' _Item.ID 4263 _Item.Name '_Order_parameter_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Order_parameter_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Sample_condition_list_ID' _Item.ID 4264 _Item.Name '_Order_parameter_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_parameter_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Sample_condition_list_label' _Item.ID 4265 _Item.Name '_Order_parameter_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the order parameters. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Order_parameter_list.Tau_e_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Tau_e_val_units' _Item.ID 4266 _Item.Name '_Order_parameter_list.Tau_e_val_units' _Item.Description ; The units for the effective correlation time of the molecule. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Order_parameter_list.Tau_e_val_units' s ? 4266 298 NMR-STAR '_Order_parameter_list.Tau_e_val_units' ms ? 4266 298 NMR-STAR '_Order_parameter_list.Tau_e_val_units' us ? 4266 298 NMR-STAR '_Order_parameter_list.Tau_e_val_units' ns ? 4266 298 NMR-STAR '_Order_parameter_list.Tau_e_val_units' ps ? 4266 298 NMR-STAR stop_ save_ save__Order_parameter_list.Tau_f_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Tau_f_val_units' _Item.ID 4267 _Item.Name '_Order_parameter_list.Tau_f_val_units' _Item.Description ; The units for the correlation time representing fast internal motions of the molecule. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Order_parameter_list.Tau_f_val_units' s ? 4267 298 NMR-STAR '_Order_parameter_list.Tau_f_val_units' ms ? 4267 298 NMR-STAR '_Order_parameter_list.Tau_f_val_units' us ? 4267 298 NMR-STAR '_Order_parameter_list.Tau_f_val_units' ns ? 4267 298 NMR-STAR '_Order_parameter_list.Tau_f_val_units' ps ? 4267 298 NMR-STAR stop_ save_ save__Order_parameter_list.Tau_s_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Tau_s_val_units' _Item.ID 4268 _Item.Name '_Order_parameter_list.Tau_s_val_units' _Item.Description ; The units for the correlation time representing slow internal motions of the molecule. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Order_parameter_list.Tau_s_val_units' s ? 4268 298 NMR-STAR '_Order_parameter_list.Tau_s_val_units' ms ? 4268 298 NMR-STAR '_Order_parameter_list.Tau_s_val_units' us ? 4268 298 NMR-STAR '_Order_parameter_list.Tau_s_val_units' ns ? 4268 298 NMR-STAR '_Order_parameter_list.Tau_s_val_units' ps ? 4268 298 NMR-STAR stop_ save_ save__Order_parameter_list.Rex_field_strength _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Rex_field_strength' _Item.ID 4269 _Item.Name '_Order_parameter_list.Rex_field_strength' _Item.Description ; 1H spectrometer field strength at which Rex values have been measured. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Order_parameter_list.Rex_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Rex_val_units' _Item.ID 4270 _Item.Name '_Order_parameter_list.Rex_val_units' _Item.Description ; The units for the reported R exchange values. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Order_parameter_list.Rex_val_units' s-1 ? 4270 298 NMR-STAR '_Order_parameter_list.Rex_val_units' ms-1 ? 4270 298 NMR-STAR '_Order_parameter_list.Rex_val_units' us-1 ? 4270 298 NMR-STAR stop_ save_ save__Order_parameter_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Details' _Item.ID 4271 _Item.Name '_Order_parameter_list.Details' _Item.Description ; Text describing the reported order parameter values. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Order_parameter_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Text_data_format' _Item.ID 4272 _Item.Name '_Order_parameter_list.Text_data_format' _Item.Description ; The data format used to represent the order parameter data as ASCII text in the text block that is the value to the '_Order_parameter_list.Text_data' tag. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Order_parameter_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_list.Text_data' _Item.ID 4273 _Item.Name '_Order_parameter_list.Text_data' _Item.Description ; A set of order parameter data formatted as ASCII text. ; _Item.Category_ID 298 _Item.Category_label $Order_parameter_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Order_parameter_experiment _Category.Sf_category category_description _Category.Sf_framecode Order_parameter_experiment _Category.ID 299 _Category.Name 'Order_parameter_experiment' _category.Description ; Items in the order_parameter_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported order parameters. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 72 _Category.Category_group_name order_parameters _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4274 $_Order_parameter_experiment.Experiment_ID '_Order_parameter_experiment.Experiment_ID' 4280 $_Order_parameter_experiment.Entry_ID '_Order_parameter_experiment.Entry_ID' 4281 $_Order_parameter_experiment.Order_parameter_list_ID '_Order_parameter_experiment.Order_parameter_list_ID' 299 NMR-STAR stop_ save_ save__Order_parameter_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Experiment_ID' _Item.ID 4274 _Item.Name '_Order_parameter_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_parameter_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Experiment_name' _Item.ID 4275 _Item.Name '_Order_parameter_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Order_parameter_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Sample_ID' _Item.ID 4276 _Item.Name '_Order_parameter_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Order_parameter_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Sample_label' _Item.ID 4277 _Item.Name '_Order_parameter_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Order_parameter_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Sample_state' _Item.ID 4278 _Item.Name '_Order_parameter_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Order_parameter_experiment.Sample_state' isotropic ? 4278 299 NMR-STAR '_Order_parameter_experiment.Sample_state' anisotropic ? 4278 299 NMR-STAR '_Order_parameter_experiment.Sample_state' solid ? 4278 299 NMR-STAR stop_ save_ save__Order_parameter_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Sf_ID' _Item.ID 4279 _Item.Name '_Order_parameter_experiment.Sf_ID' _Item.Description ; Pointer to '_Order_parameter_list.Sf_ID' ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_parameter_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Entry_ID' _Item.ID 4280 _Item.Name '_Order_parameter_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_parameter_experiment.Order_parameter_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_experiment.Order_parameter_list_ID' _Item.ID 4281 _Item.Name '_Order_parameter_experiment.Order_parameter_list_ID' _Item.Description ; Pointer to '_Order_parameter_list.ID' ; _Item.Category_ID 299 _Item.Category_label $Order_parameter_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Order_parameter_software _Category.Sf_category category_description _Category.Sf_framecode Order_parameter_software _Category.ID 300 _Category.Name 'Order_parameter_software' _category.Description ; Items in the order_parameter_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 72 _Category.Category_group_name order_parameters _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4282 $_Order_parameter_software.Software_ID '_Order_parameter_software.Software_ID' 4287 $_Order_parameter_software.Entry_ID '_Order_parameter_software.Entry_ID' 4288 $_Order_parameter_software.Order_parameter_list_ID '_Order_parameter_software.Order_parameter_list_ID' 300 NMR-STAR stop_ save_ save__Order_parameter_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Software_ID' _Item.ID 4282 _Item.Name '_Order_parameter_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_parameter_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Software_label' _Item.ID 4283 _Item.Name '_Order_parameter_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Order_parameter_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Method_ID' _Item.ID 4284 _Item.Name '_Order_parameter_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Order_parameter_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Method_label' _Item.ID 4285 _Item.Name '_Order_parameter_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Order_parameter_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Sf_ID' _Item.ID 4286 _Item.Name '_Order_parameter_software.Sf_ID' _Item.Description ; Pointer to '_Order_parameter_list.Sf_ID' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_parameter_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Entry_ID' _Item.ID 4287 _Item.Name '_Order_parameter_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_parameter_software.Order_parameter_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_parameter_software.Order_parameter_list_ID' _Item.ID 4288 _Item.Name '_Order_parameter_software.Order_parameter_list_ID' _Item.Description ; Pointer to '_Order_parameter_list.ID' ; _Item.Category_ID 300 _Item.Category_label $Order_parameter_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Order_param _Category.Sf_category category_description _Category.Sf_framecode Order_param _Category.ID 301 _Category.Name 'Order_param' _category.Description ; Items in the order_param category describe the order parameter values assigned to specific atoms in a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 72 _Category.Category_group_name order_parameters _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4289 $_Order_param.ID '_Order_param.ID' 4325 $_Order_param.Entry_ID '_Order_param.Entry_ID' 4326 $_Order_param.Order_parameter_list_ID '_Order_param.Order_parameter_list_ID' 301 NMR-STAR stop_ save_ save__Order_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.ID' _Item.ID 4289 _Item.Name '_Order_param.ID' _Item.Description ; Unique identifier for the observed order parameter value. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_param.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Assembly_atom_ID' _Item.ID 4290 _Item.Name '_Order_param.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Order_param.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Entity_assembly_ID' _Item.ID 4291 _Item.Name '_Order_param.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_param.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Entity_ID' _Item.ID 4292 _Item.Name '_Order_param.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_param.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Comp_index_ID' _Item.ID 4293 _Item.Name '_Order_param.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_param.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Seq_ID' _Item.ID 4294 _Item.Name '_Order_param.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_param.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Comp_ID' _Item.ID 4295 _Item.Name '_Order_param.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_param.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Atom_ID' _Item.ID 4296 _Item.Name '_Order_param.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Order_param.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Atom_type' _Item.ID 4297 _Item.Name '_Order_param.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_param.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Atom_isotope_number' _Item.ID 4298 _Item.Name '_Order_param.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Order_param.Order_param_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Order_param_val' _Item.ID 4299 _Item.Name '_Order_param.Order_param_val' _Item.Description ; The value for the fitted order parameter. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Order_param.Order_param_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Order_param_val_fit_err' _Item.ID 4300 _Item.Name '_Order_param.Order_param_val_fit_err' _Item.Description ; The estimated error in the fitted order parameter value. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Tau_e_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Tau_e_val' _Item.ID 4301 _Item.Name '_Order_param.Tau_e_val' _Item.Description ; The value of the effective correlation time for the atom. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Tau_e_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Tau_e_val_fit_err' _Item.ID 4302 _Item.Name '_Order_param.Tau_e_val_fit_err' _Item.Description ; The estimated error in the fitted effective correlation time value. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Tau_f_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Tau_f_val' _Item.ID 4303 _Item.Name '_Order_param.Tau_f_val' _Item.Description ; The correlation time related to the faster motion of the measured nuclei. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Tau_f_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Tau_f_val_fit_err' _Item.ID 4304 _Item.Name '_Order_param.Tau_f_val_fit_err' _Item.Description ; The fitting error for the correlation time related to the faster motion of the measured nuclei. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Tau_s_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Tau_s_val' _Item.ID 4305 _Item.Name '_Order_param.Tau_s_val' _Item.Description ; The value for the fitted effective correlation time value for the 'slow' motion in the molecule. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Tau_s_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Tau_s_val_fit_err' _Item.ID 4306 _Item.Name '_Order_param.Tau_s_val_fit_err' _Item.Description ; The estimated error in the fitted effective correlation time value for the the 'slow' motion in the molecule. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Rex_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Rex_val' _Item.ID 4307 _Item.Name '_Order_param.Rex_val' _Item.Description ; The exchange broadening contribution value. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Rex_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Rex_val_fit_err' _Item.ID 4308 _Item.Name '_Order_param.Rex_val_fit_err' _Item.Description ; The estimated error in the fitted exchange broadening contribution value. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Model_free_sum_squared_errs _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Model_free_sum_squared_errs' _Item.ID 4309 _Item.Name '_Order_param.Model_free_sum_squared_errs' _Item.Description ; The sum of the squared errors from a fit of the data using the 'Model-Free' software package. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Model_fit _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Model_fit' _Item.ID 4310 _Item.Name '_Order_param.Model_fit' _Item.Description ; The model used to fit the experimental data. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Order_param.Model_fit' Rex ? 4310 301 NMR-STAR '_Order_param.Model_fit' S2 ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2, te' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2, Rex' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2, te, Rex' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, S2, ts' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, S2s, ts' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, tf, S2, ts' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, tf, S2s, ts' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, S2, ts, Rex' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, S2s, ts, Rex' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, tf, S2, ts, Rex' ? 4310 301 NMR-STAR '_Order_param.Model_fit' 'S2f, tf, S2s, ts, Rex' ? 4310 301 NMR-STAR stop_ save_ save__Order_param.Sf2_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Sf2_val' _Item.ID 4311 _Item.Name '_Order_param.Sf2_val' _Item.Description ; The value for the fitted order parameter for the 'fast' motion in the molecule. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Sf2_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Sf2_val_fit_err' _Item.ID 4312 _Item.Name '_Order_param.Sf2_val_fit_err' _Item.Description ; The estimated error in the fitted order parameter for the 'fast' motion in the molecule. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Ss2_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Ss2_val' _Item.ID 4313 _Item.Name '_Order_param.Ss2_val' _Item.Description ; The value for the fitted order parameter for the 'slow' motion in the molecule. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Ss2_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Ss2_val_fit_err' _Item.ID 4314 _Item.Name '_Order_param.Ss2_val_fit_err' _Item.Description ; The estimated error in the fitted order parameter for the 'slow' motion in the molecule. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.SH2_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.SH2_val' _Item.ID 4315 _Item.Name '_Order_param.SH2_val' _Item.Description ; The value for the fitted order parameter value for a hydrogen atom. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.SH2_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.SH2_val_fit_err' _Item.ID 4316 _Item.Name '_Order_param.SH2_val_fit_err' _Item.Description ; The estimated error in the fitted order parameter value for a hydrogen atom. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.SN2_val _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.SN2_val' _Item.ID 4317 _Item.Name '_Order_param.SN2_val' _Item.Description ; The value for the fitted order parameter value for a nitrogen atom. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.SN2_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.SN2_val_fit_err' _Item.ID 4318 _Item.Name '_Order_param.SN2_val_fit_err' _Item.Description ; The estimated error in the fitted order parameter value for a nitrogen atom. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Order_param.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Resonance_ID' _Item.ID 4319 _Item.Name '_Order_param.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Order_param.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Auth_entity_assembly_ID' _Item.ID 4320 _Item.Name '_Order_param.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Order_param.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Auth_seq_ID' _Item.ID 4321 _Item.Name '_Order_param.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Order_param.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Auth_comp_ID' _Item.ID 4322 _Item.Name '_Order_param.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Order_param.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Auth_atom_ID' _Item.ID 4323 _Item.Name '_Order_param.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Order_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Sf_ID' _Item.ID 4324 _Item.Name '_Order_param.Sf_ID' _Item.Description ; Pointer to '_Order_parameter_list.Sf_ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Order_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Entry_ID' _Item.ID 4325 _Item.Name '_Order_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Order_param.Order_parameter_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Order_param.Order_parameter_list_ID' _Item.ID 4326 _Item.Name '_Order_param.Order_parameter_list_ID' _Item.Description ; Pointer to '_Order_parameter_list.ID' ; _Item.Category_ID 301 _Item.Category_label $Order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_PH_titration_list _Category.Sf_category category_description _Category.Sf_framecode PH_titration_list _Category.ID 302 _Category.Name 'PH_titration_list' _category.Description ; Items in the pH_titration_list category provide information about a list of reported pH titration experimental values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 73 _Category.Category_group_name pH_titration _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4329 $_PH_titration_list.Entry_ID '_PH_titration_list.Entry_ID' 4331 $_PH_titration_list.ID '_PH_titration_list.ID' 302 NMR-STAR stop_ save_ save__PH_titration_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Sf_category' _Item.ID 4327 _Item.Name '_PH_titration_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titration_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Sf_framecode' _Item.ID 4328 _Item.Name '_PH_titration_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__PH_titration_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Entry_ID' _Item.ID 4329 _Item.Name '_PH_titration_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titration_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Sf_ID' _Item.ID 4330 _Item.Name '_PH_titration_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__PH_titration_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.ID' _Item.ID 4331 _Item.Name '_PH_titration_list.ID' _Item.Description ; Unique identifier for the list of pKa values. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__PH_titration_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Name' _Item.ID 4332 _Item.Name '_PH_titration_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_titration_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Data_file_name' _Item.ID 4333 _Item.Name '_PH_titration_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_titration_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Sample_condition_list_ID' _Item.ID 4334 _Item.Name '_PH_titration_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titration_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Sample_condition_list_label' _Item.ID 4335 _Item.Name '_PH_titration_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the pH titration data. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__PH_titration_list.Expt_observed_param _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Expt_observed_param' _Item.ID 4336 _Item.Name '_PH_titration_list.Expt_observed_param' _Item.Description ; The spectral parameter or derived parameter measured and used to determine the effect of pH on the macromolecule. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_PH_titration_list.Expt_observed_param' 'chemical shift' ? 4336 302 NMR-STAR '_PH_titration_list.Expt_observed_param' 'coupling constant' ? 4336 302 NMR-STAR '_PH_titration_list.Expt_observed_param' 'peak height' ? 4336 302 NMR-STAR '_PH_titration_list.Expt_observed_param' 'peak volume' ? 4336 302 NMR-STAR stop_ save_ save__PH_titration_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Details' _Item.ID 4337 _Item.Name '_PH_titration_list.Details' _Item.Description ; Text describing the reported pH titration values. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__PH_titration_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Text_data_format' _Item.ID 4338 _Item.Name '_PH_titration_list.Text_data_format' _Item.Description ; The data format used to represent the pK, pHmid, and other data as ASCII text in the text block that is the value to the '_PH_titration_list.Text_data' tag. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_titration_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_list.Text_data' _Item.ID 4339 _Item.Name '_PH_titration_list.Text_data' _Item.Description ; A set of pK or pHmid data formatted as ASCII text. ; _Item.Category_ID 302 _Item.Category_label $PH_titration_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_PH_titration_experiment _Category.Sf_category category_description _Category.Sf_framecode PH_titration_experiment _Category.ID 303 _Category.Name 'PH_titration_experiment' _category.Description ; Items in the pH_titration_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported pH titration experiments. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 73 _Category.Category_group_name pH_titration _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4340 $_PH_titration_experiment.Experiment_ID '_PH_titration_experiment.Experiment_ID' 4346 $_PH_titration_experiment.Entry_ID '_PH_titration_experiment.Entry_ID' 4347 $_PH_titration_experiment.PH_titration_list_ID '_PH_titration_experiment.PH_titration_list_ID' 303 NMR-STAR stop_ save_ save__PH_titration_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Experiment_ID' _Item.ID 4340 _Item.Name '_PH_titration_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titration_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Experiment_name' _Item.ID 4341 _Item.Name '_PH_titration_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_titration_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Sample_ID' _Item.ID 4342 _Item.Name '_PH_titration_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PH_titration_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Sample_label' _Item.ID 4343 _Item.Name '_PH_titration_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__PH_titration_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Sample_state' _Item.ID 4344 _Item.Name '_PH_titration_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_PH_titration_experiment.Sample_state' isotropic ? 4344 303 NMR-STAR '_PH_titration_experiment.Sample_state' anisotropic ? 4344 303 NMR-STAR '_PH_titration_experiment.Sample_state' solid ? 4344 303 NMR-STAR stop_ save_ save__PH_titration_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Sf_ID' _Item.ID 4345 _Item.Name '_PH_titration_experiment.Sf_ID' _Item.Description ; Pointer to '_PH_titration_list.Sf_ID' ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titration_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.Entry_ID' _Item.ID 4346 _Item.Name '_PH_titration_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titration_experiment.PH_titration_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_experiment.PH_titration_list_ID' _Item.ID 4347 _Item.Name '_PH_titration_experiment.PH_titration_list_ID' _Item.Description ; Pointer to '_PH_titration_list.ID' ; _Item.Category_ID 303 _Item.Category_label $PH_titration_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_PH_titration_software _Category.Sf_category category_description _Category.Sf_framecode PH_titration_software _Category.ID 304 _Category.Name 'PH_titration_software' _category.Description ; Items in the pH_titration_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 73 _Category.Category_group_name pH_titration _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4348 $_PH_titration_software.Software_ID '_PH_titration_software.Software_ID' 4353 $_PH_titration_software.Entry_ID '_PH_titration_software.Entry_ID' 4354 $_PH_titration_software.PH_titration_list_ID '_PH_titration_software.PH_titration_list_ID' 304 NMR-STAR stop_ save_ save__PH_titration_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.Software_ID' _Item.ID 4348 _Item.Name '_PH_titration_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titration_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.Software_label' _Item.ID 4349 _Item.Name '_PH_titration_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__PH_titration_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.Method_ID' _Item.ID 4350 _Item.Name '_PH_titration_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PH_titration_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.Method_label' _Item.ID 4351 _Item.Name '_PH_titration_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__PH_titration_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.Sf_ID' _Item.ID 4352 _Item.Name '_PH_titration_software.Sf_ID' _Item.Description ; Pointer to '_PH_titration_list.Sf_ID' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titration_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.Entry_ID' _Item.ID 4353 _Item.Name '_PH_titration_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titration_software.PH_titration_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titration_software.PH_titration_list_ID' _Item.ID 4354 _Item.Name '_PH_titration_software.PH_titration_list_ID' _Item.Description ; Pointer to '_PH_titration_list.ID' ; _Item.Category_ID 304 _Item.Category_label $PH_titration_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_PH_titr_result _Category.Sf_category category_description _Category.Sf_framecode PH_titr_result _Category.ID 305 _Category.Name 'PH_titr_result' _category.Description ; Items in the pH_titr_result category describe the pKa or pHmid values that have been determined and the functional groups involved. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 73 _Category.Category_group_name pH_titration _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4355 $_PH_titr_result.ID '_PH_titr_result.ID' 4393 $_PH_titr_result.Entry_ID '_PH_titr_result.Entry_ID' 4394 $_PH_titr_result.PH_titration_list_ID '_PH_titr_result.PH_titration_list_ID' 305 NMR-STAR stop_ save_ save__PH_titr_result.ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.ID' _Item.ID 4355 _Item.Name '_PH_titr_result.ID' _Item.Description ; Unique identifier for the observed pKa value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__PH_titr_result.Atm_obs_assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_assembly_atom_ID' _Item.ID 4356 _Item.Name '_PH_titr_result.Atm_obs_assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PH_titr_result.Atm_obs_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_entity_assembly_ID' _Item.ID 4357 _Item.Name '_PH_titr_result.Atm_obs_entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_obs_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_entity_ID' _Item.ID 4358 _Item.Name '_PH_titr_result.Atm_obs_entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_obs_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_comp_index_ID' _Item.ID 4359 _Item.Name '_PH_titr_result.Atm_obs_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_obs_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_seq_ID' _Item.ID 4360 _Item.Name '_PH_titr_result.Atm_obs_seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_obs_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_comp_ID' _Item.ID 4361 _Item.Name '_PH_titr_result.Atm_obs_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titr_result.Atm_obs_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_atom_ID' _Item.ID 4362 _Item.Name '_PH_titr_result.Atm_obs_atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__PH_titr_result.Atm_obs_atom_type _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_atom_type' _Item.ID 4363 _Item.Name '_PH_titr_result.Atm_obs_atom_type' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titr_result.Atm_obs_atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_atom_isotope_number' _Item.ID 4364 _Item.Name '_PH_titr_result.Atm_obs_atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PH_titr_result.Atm_obs_auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_auth_entity_assembly_ID' _Item.ID 4365 _Item.Name '_PH_titr_result.Atm_obs_auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_obs_auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_auth_seq_ID' _Item.ID 4366 _Item.Name '_PH_titr_result.Atm_obs_auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_obs_auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_auth_comp_ID' _Item.ID 4367 _Item.Name '_PH_titr_result.Atm_obs_auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_obs_auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_obs_auth_atom_ID' _Item.ID 4368 _Item.Name '_PH_titr_result.Atm_obs_auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_titr_assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_assembly_atom_ID' _Item.ID 4369 _Item.Name '_PH_titr_result.Atm_titr_assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PH_titr_result.Atm_titr_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_entity_assembly_ID' _Item.ID 4370 _Item.Name '_PH_titr_result.Atm_titr_entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_titr_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_entity_ID' _Item.ID 4371 _Item.Name '_PH_titr_result.Atm_titr_entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_titr_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_comp_index_ID' _Item.ID 4372 _Item.Name '_PH_titr_result.Atm_titr_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_titr_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_seq_ID' _Item.ID 4373 _Item.Name '_PH_titr_result.Atm_titr_seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Atm_titr_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_comp_ID' _Item.ID 4374 _Item.Name '_PH_titr_result.Atm_titr_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titr_result.Atm_titr_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_atom_ID' _Item.ID 4375 _Item.Name '_PH_titr_result.Atm_titr_atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__PH_titr_result.Atm_titr_atom_type _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_atom_type' _Item.ID 4376 _Item.Name '_PH_titr_result.Atm_titr_atom_type' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titr_result.Atm_titr_atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_atom_isotope_number' _Item.ID 4377 _Item.Name '_PH_titr_result.Atm_titr_atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__PH_titr_result.Atm_titr_auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_auth_entity_assembly_ID' _Item.ID 4378 _Item.Name '_PH_titr_result.Atm_titr_auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_titr_auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_auth_seq_ID' _Item.ID 4379 _Item.Name '_PH_titr_result.Atm_titr_auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_titr_auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_auth_comp_ID' _Item.ID 4380 _Item.Name '_PH_titr_result.Atm_titr_auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Atm_titr_auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Atm_titr_auth_atom_ID' _Item.ID 4381 _Item.Name '_PH_titr_result.Atm_titr_auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__PH_titr_result.Hill_coeff_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Hill_coeff_val' _Item.ID 4382 _Item.Name '_PH_titr_result.Hill_coeff_val' _Item.Description ; Value for the Hill coefficient derived from fitting the pH titration data. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.Hill_coeff_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Hill_coeff_val_fit_err' _Item.ID 4383 _Item.Name '_PH_titr_result.Hill_coeff_val_fit_err' _Item.Description ; Estimated error in the fitted Hill coefficient. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.High_PH_param_fit_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.High_PH_param_fit_val' _Item.ID 4384 _Item.Name '_PH_titr_result.High_PH_param_fit_val' _Item.Description ; In a fit of the pH titration data to a single pK value, the estimated high pH value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.High_PH_param_fit_val_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.High_PH_param_fit_val_err' _Item.ID 4385 _Item.Name '_PH_titr_result.High_PH_param_fit_val_err' _Item.Description ; Estimated error in the fitted high pH value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.Low_PH_param_fit_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Low_PH_param_fit_val' _Item.ID 4386 _Item.Name '_PH_titr_result.Low_PH_param_fit_val' _Item.Description ; In a fit of the pH titration data to a single pK value, the estimated low pH value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.Low_PH_param_fit_val_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Low_PH_param_fit_val_err' _Item.ID 4387 _Item.Name '_PH_titr_result.Low_PH_param_fit_val_err' _Item.Description ; Estimated error in the fitted low pH value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.PKa_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.PKa_val' _Item.ID 4388 _Item.Name '_PH_titr_result.PKa_val' _Item.Description ; pKa value estimated from a fit of a pH titration data set. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.PKa_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.PKa_val_fit_err' _Item.ID 4389 _Item.Name '_PH_titr_result.PKa_val_fit_err' _Item.Description ; Estimated error in the pKa value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.PHmid_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.PHmid_val' _Item.ID 4390 _Item.Name '_PH_titr_result.PHmid_val' _Item.Description ; pHmid value estimated from a fit of a pH titration data set. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.PHmid_val_fit_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.PHmid_val_fit_err' _Item.ID 4391 _Item.Name '_PH_titr_result.PHmid_val_fit_err' _Item.Description ; Estimated error in the fitted pHmid value. ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_titr_result.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Sf_ID' _Item.ID 4392 _Item.Name '_PH_titr_result.Sf_ID' _Item.Description ; Pointer to '_PH_titration_list.Sf_ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_titr_result.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.Entry_ID' _Item.ID 4393 _Item.Name '_PH_titr_result.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_titr_result.PH_titration_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_titr_result.PH_titration_list_ID' _Item.ID 4394 _Item.Name '_PH_titr_result.PH_titration_list_ID' _Item.Description ; Pointer to '_PH_titration_list.ID' ; _Item.Category_ID 305 _Item.Category_label $PH_titr_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_PH_param_list _Category.Sf_category category_description _Category.Sf_framecode PH_param_list _Category.ID 306 _Category.Name 'PH_param_list' _category.Description ; Items in the pH_param_list category provided meta data regarding the pH parameter values measured and used to calculate pK values and related parameters. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 74 _Category.Category_group_name pH_param_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4397 $_PH_param_list.Entry_ID '_PH_param_list.Entry_ID' 4399 $_PH_param_list.ID '_PH_param_list.ID' 306 NMR-STAR stop_ save_ save__PH_param_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Sf_category' _Item.ID 4395 _Item.Name '_PH_param_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_param_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Sf_framecode' _Item.ID 4396 _Item.Name '_PH_param_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__PH_param_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Entry_ID' _Item.ID 4397 _Item.Name '_PH_param_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_param_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Sf_ID' _Item.ID 4398 _Item.Name '_PH_param_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__PH_param_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.ID' _Item.ID 4399 _Item.Name '_PH_param_list.ID' _Item.Description ; Unique identifier for the list of data values used to calculate a pKa value. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__PH_param_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Name' _Item.ID 4400 _Item.Name '_PH_param_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_param_list.PH_titration_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.PH_titration_list_ID' _Item.ID 4401 _Item.Name '_PH_param_list.PH_titration_list_ID' _Item.Description ; Pointer to 'PH_titration_list.ID' ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_param_list.PH_titration_list_label _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.PH_titration_list_label' _Item.ID 4402 _Item.Name '_PH_param_list.PH_titration_list_label' _Item.Description ; Pointer to the save frame where the measured values used to calculate the reported pKa values are provided. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__PH_param_list.Observed_NMR_param _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Observed_NMR_param' _Item.ID 4403 _Item.Name '_PH_param_list.Observed_NMR_param' _Item.Description ; The spectral parameter or derived parameter measured and used to determine the effect of pH on the macromolecule. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_PH_param_list.Observed_NMR_param' 'chemical shift' ? 4403 306 NMR-STAR '_PH_param_list.Observed_NMR_param' 'coupling constant' ? 4403 306 NMR-STAR '_PH_param_list.Observed_NMR_param' 'peak height' ? 4403 306 NMR-STAR '_PH_param_list.Observed_NMR_param' 'peak volume' ? 4403 306 NMR-STAR stop_ save_ save__PH_param_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Data_file_name' _Item.ID 4404 _Item.Name '_PH_param_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_param_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Details' _Item.ID 4405 _Item.Name '_PH_param_list.Details' _Item.Description ; Text describing the reported pH parameter values. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__PH_param_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Text_data_format' _Item.ID 4406 _Item.Name '_PH_param_list.Text_data_format' _Item.Description ; The data format used to represent the pH titration data as ASCII text in the text block that is the value to the '_PH_param_list.Text_data' tag. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__PH_param_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_PH_param_list.Text_data' _Item.ID 4407 _Item.Name '_PH_param_list.Text_data' _Item.Description ; A set of pH titration data formatted as ASCII text. ; _Item.Category_ID 306 _Item.Category_label $PH_param_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_PH_param _Category.Sf_category category_description _Category.Sf_framecode PH_param _Category.ID 307 _Category.Name 'PH_param' _category.Description ; Items in the pH_param category define the measured values used to calculate pK values and related parameters. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 74 _Category.Category_group_name pH_param_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4408 $_PH_param.ID '_PH_param.ID' 4415 $_PH_param.Entry_ID '_PH_param.Entry_ID' 4416 $_PH_param.PH_param_list_ID '_PH_param.PH_param_list_ID' 307 NMR-STAR stop_ save_ save__PH_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.ID' _Item.ID 4408 _Item.Name '_PH_param.ID' _Item.Description ; Unique identifier for the observed NMR parameter value. ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_param.PH_titr_result_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.PH_titr_result_ID' _Item.ID 4409 _Item.Name '_PH_param.PH_titr_result_ID' _Item.Description ; Pointer to '_PH_titr_result.ID' ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_param.PH_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.PH_val' _Item.ID 4410 _Item.Name '_PH_param.PH_val' _Item.Description ; pH value at which the observed NMR parameter value was observed. ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__PH_param.PH_val_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.PH_val_err' _Item.ID 4411 _Item.Name '_PH_param.PH_val_err' _Item.Description ; Error in the measured pH value. ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_param.Observed_NMR_param_val _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.Observed_NMR_param_val' _Item.ID 4412 _Item.Name '_PH_param.Observed_NMR_param_val' _Item.Description ; Value for the observed NMR parameter. ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__PH_param.Observed_NMR_param_val_err _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.Observed_NMR_param_val_err' _Item.ID 4413 _Item.Name '_PH_param.Observed_NMR_param_val_err' _Item.Description ; Error in the reported NMR parameter value. ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__PH_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.Sf_ID' _Item.ID 4414 _Item.Name '_PH_param.Sf_ID' _Item.Description ; Pointer to '_PH_param_list.Sf_ID' ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__PH_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.Entry_ID' _Item.ID 4415 _Item.Name '_PH_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__PH_param.PH_param_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_PH_param.PH_param_list_ID' _Item.ID 4416 _Item.Name '_PH_param.PH_param_list_ID' _Item.Description ; Pointer to '_PH_param_list.ID' ; _Item.Category_ID 307 _Item.Category_label $PH_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_D_H_fractionation_factor_list _Category.Sf_category category_description _Category.Sf_framecode D_H_fractionation_factor_list _Category.ID 308 _Category.Name 'D_H_fractionation_factor_list' _category.Description ; Items in the D_H_fractionation_factor_list category provide information about a list of reported deuterium/hydrogen fractionation factor values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 75 _Category.Category_group_name D_H_fractionation_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4419 $_D_H_fractionation_factor_list.Entry_ID '_D_H_fractionation_factor_list.Entry_ID' 4421 $_D_H_fractionation_factor_list.ID '_D_H_fractionation_factor_list.ID' 308 NMR-STAR stop_ save_ save__D_H_fractionation_factor_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Sf_category' _Item.ID 4417 _Item.Name '_D_H_fractionation_factor_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fractionation_factor_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Sf_framecode' _Item.ID 4418 _Item.Name '_D_H_fractionation_factor_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__D_H_fractionation_factor_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Entry_ID' _Item.ID 4419 _Item.Name '_D_H_fractionation_factor_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fractionation_factor_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Sf_ID' _Item.ID 4420 _Item.Name '_D_H_fractionation_factor_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__D_H_fractionation_factor_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.ID' _Item.ID 4421 _Item.Name '_D_H_fractionation_factor_list.ID' _Item.Description ; Unique identifier for the list of reported deuterium/hydrogen fractionation factors. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__D_H_fractionation_factor_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Name' _Item.ID 4422 _Item.Name '_D_H_fractionation_factor_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__D_H_fractionation_factor_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Data_file_name' _Item.ID 4423 _Item.Name '_D_H_fractionation_factor_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__D_H_fractionation_factor_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Sample_condition_list_ID' _Item.ID 4424 _Item.Name '_D_H_fractionation_factor_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Sample_condition_list_label' _Item.ID 4425 _Item.Name '_D_H_fractionation_factor_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the D/H fractionation factors. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__D_H_fractionation_factor_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Details' _Item.ID 4426 _Item.Name '_D_H_fractionation_factor_list.Details' _Item.Description ; Text describing the reported deuterium/hydrogen fractionation factors. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__D_H_fractionation_factor_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Text_data_format' _Item.ID 4427 _Item.Name '_D_H_fractionation_factor_list.Text_data_format' _Item.Description ; The data format used to represent the deuterium-proton fractionation factor data as ASCII text in the text block that is the value to the '_D_H_fractionation_factor_list.Text_data' tag. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__D_H_fractionation_factor_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor_list.Text_data' _Item.ID 4428 _Item.Name '_D_H_fractionation_factor_list.Text_data' _Item.Description ; A set of deuterium-hydrogen fractionation factor data formatted as ASCII text. ; _Item.Category_ID 308 _Item.Category_label $D_H_fractionation_factor_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_D_H_fract_factor_experiment _Category.Sf_category category_description _Category.Sf_framecode D_H_fract_factor_experiment _Category.ID 309 _Category.Name 'D_H_fract_factor_experiment' _category.Description ; Items in the D_H_fract_factor_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported D/H fractionation factors. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 75 _Category.Category_group_name D_H_fractionation_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4429 $_D_H_fract_factor_experiment.Experiment_ID '_D_H_fract_factor_experiment.Experiment_ID' 4435 $_D_H_fract_factor_experiment.Entry_ID '_D_H_fract_factor_experiment.Entry_ID' 4436 $_D_H_fract_factor_experiment.D_H_fractionation_factor_list_ID '_D_H_fract_factor_experiment.D_H_fractionation_factor_list_ID' 309 NMR-STAR stop_ save_ save__D_H_fract_factor_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Experiment_ID' _Item.ID 4429 _Item.Name '_D_H_fract_factor_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fract_factor_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Experiment_name' _Item.ID 4430 _Item.Name '_D_H_fract_factor_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__D_H_fract_factor_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Sample_ID' _Item.ID 4431 _Item.Name '_D_H_fract_factor_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__D_H_fract_factor_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Sample_label' _Item.ID 4432 _Item.Name '_D_H_fract_factor_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__D_H_fract_factor_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Sample_state' _Item.ID 4433 _Item.Name '_D_H_fract_factor_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_D_H_fract_factor_experiment.Sample_state' isotropic ? 4433 309 NMR-STAR '_D_H_fract_factor_experiment.Sample_state' anisotropic ? 4433 309 NMR-STAR '_D_H_fract_factor_experiment.Sample_state' solid ? 4433 309 NMR-STAR stop_ save_ save__D_H_fract_factor_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Sf_ID' _Item.ID 4434 _Item.Name '_D_H_fract_factor_experiment.Sf_ID' _Item.Description ; Pointer to '_D_H_fractionation_factor_list.Sf_ID' ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fract_factor_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.Entry_ID' _Item.ID 4435 _Item.Name '_D_H_fract_factor_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fract_factor_experiment.D_H_fractionation_factor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_experiment.D_H_fractionation_factor_list_ID' _Item.ID 4436 _Item.Name '_D_H_fract_factor_experiment.D_H_fractionation_factor_list_ID' _Item.Description ; Pointer to '_D_H_fractionation_factor_list.ID' ; _Item.Category_ID 309 _Item.Category_label $D_H_fract_factor_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_D_H_fract_factor_software _Category.Sf_category category_description _Category.Sf_framecode D_H_fract_factor_software _Category.ID 310 _Category.Name 'D_H_fract_factor_software' _category.Description ; Items in the D_H_fract_factor_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 75 _Category.Category_group_name D_H_fractionation_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4437 $_D_H_fract_factor_software.Software_ID '_D_H_fract_factor_software.Software_ID' 4442 $_D_H_fract_factor_software.Entry_ID '_D_H_fract_factor_software.Entry_ID' 4443 $_D_H_fract_factor_software.D_H_fractionation_factor_list_ID '_D_H_fract_factor_software.D_H_fractionation_factor_list_ID' 310 NMR-STAR stop_ save_ save__D_H_fract_factor_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.Software_ID' _Item.ID 4437 _Item.Name '_D_H_fract_factor_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fract_factor_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.Software_label' _Item.ID 4438 _Item.Name '_D_H_fract_factor_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__D_H_fract_factor_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.Method_ID' _Item.ID 4439 _Item.Name '_D_H_fract_factor_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__D_H_fract_factor_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.Method_label' _Item.ID 4440 _Item.Name '_D_H_fract_factor_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__D_H_fract_factor_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.Sf_ID' _Item.ID 4441 _Item.Name '_D_H_fract_factor_software.Sf_ID' _Item.Description ; Pointer to '_D_H_fractionation_factor_list.Sf_ID' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fract_factor_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.Entry_ID' _Item.ID 4442 _Item.Name '_D_H_fract_factor_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fract_factor_software.D_H_fractionation_factor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fract_factor_software.D_H_fractionation_factor_list_ID' _Item.ID 4443 _Item.Name '_D_H_fract_factor_software.D_H_fractionation_factor_list_ID' _Item.Description ; Pointer to '_D_H_fractionation_factor_list.ID' ; _Item.Category_ID 310 _Item.Category_label $D_H_fract_factor_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_D_H_fractionation_factor _Category.Sf_category category_description _Category.Sf_framecode D_H_fractionation_factor _Category.ID 311 _Category.Name 'D_H_fractionation_factor' _category.Description ; Items in the D_H_fractionation_factor category describe the deuterium/hydrogen fractionation factor values for a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 75 _Category.Category_group_name D_H_fractionation_factors _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4444 $_D_H_fractionation_factor.ID '_D_H_fractionation_factor.ID' 4461 $_D_H_fractionation_factor.Entry_ID '_D_H_fractionation_factor.Entry_ID' 4462 $_D_H_fractionation_factor.D_H_fractionation_factor_list_ID '_D_H_fractionation_factor.D_H_fractionation_factor_list_ID' 311 NMR-STAR stop_ save_ save__D_H_fractionation_factor.ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.ID' _Item.ID 4444 _Item.Name '_D_H_fractionation_factor.ID' _Item.Description ; Unique identifier for the observed deuterium/hydrogen fractionation factor. ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Assembly_atom_ID' _Item.ID 4445 _Item.Name '_D_H_fractionation_factor.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Entity_assembly_ID' _Item.ID 4446 _Item.Name '_D_H_fractionation_factor.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Entity_ID' _Item.ID 4447 _Item.Name '_D_H_fractionation_factor.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Comp_index_ID' _Item.ID 4448 _Item.Name '_D_H_fractionation_factor.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Seq_ID' _Item.ID 4449 _Item.Name '_D_H_fractionation_factor.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Comp_ID' _Item.ID 4450 _Item.Name '_D_H_fractionation_factor.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fractionation_factor.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Atom_ID' _Item.ID 4451 _Item.Name '_D_H_fractionation_factor.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__D_H_fractionation_factor.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Atom_type' _Item.ID 4452 _Item.Name '_D_H_fractionation_factor.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fractionation_factor.Val _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Val' _Item.ID 4453 _Item.Name '_D_H_fractionation_factor.Val' _Item.Description ; Deuterium-hydrogen fractionation factor value. ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__D_H_fractionation_factor.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Val_err' _Item.ID 4454 _Item.Name '_D_H_fractionation_factor.Val_err' _Item.Description ; Estimated error in the reported deuterium-hydrogen fractionation factor value. ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__D_H_fractionation_factor.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Resonance_ID' _Item.ID 4455 _Item.Name '_D_H_fractionation_factor.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Auth_entity_assembly_ID' _Item.ID 4456 _Item.Name '_D_H_fractionation_factor.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__D_H_fractionation_factor.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Auth_seq_ID' _Item.ID 4457 _Item.Name '_D_H_fractionation_factor.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__D_H_fractionation_factor.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Auth_comp_ID' _Item.ID 4458 _Item.Name '_D_H_fractionation_factor.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__D_H_fractionation_factor.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Auth_atom_ID' _Item.ID 4459 _Item.Name '_D_H_fractionation_factor.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__D_H_fractionation_factor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Sf_ID' _Item.ID 4460 _Item.Name '_D_H_fractionation_factor.Sf_ID' _Item.Description ; Pointer to '_D_H_fractionation_factor_list.Sf_ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__D_H_fractionation_factor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.Entry_ID' _Item.ID 4461 _Item.Name '_D_H_fractionation_factor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__D_H_fractionation_factor.D_H_fractionation_factor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_D_H_fractionation_factor.D_H_fractionation_factor_list_ID' _Item.ID 4462 _Item.Name '_D_H_fractionation_factor.D_H_fractionation_factor_list_ID' _Item.Description ; Pointer to '_D_H_fractionation_factor_list.ID' ; _Item.Category_ID 311 _Item.Category_label $D_H_fractionation_factor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Binding_value_list _Category.Sf_category category_description _Category.Sf_framecode Binding_value_list _Category.ID 312 _Category.Name 'Binding_value_list' _category.Description ; Items in the binding_value_list category provide information about a list of reported binding constant experimental values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 76 _Category.Category_group_name binding_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4465 $_Binding_value_list.Entry_ID '_Binding_value_list.Entry_ID' 4467 $_Binding_value_list.ID '_Binding_value_list.ID' 312 NMR-STAR stop_ save_ save__Binding_value_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Sf_category' _Item.ID 4463 _Item.Name '_Binding_value_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_value_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Sf_framecode' _Item.ID 4464 _Item.Name '_Binding_value_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Binding_value_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Entry_ID' _Item.ID 4465 _Item.Name '_Binding_value_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_value_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Sf_ID' _Item.ID 4466 _Item.Name '_Binding_value_list.Sf_ID' _Item.Description ; An integer value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Binding_value_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.ID' _Item.ID 4467 _Item.Name '_Binding_value_list.ID' _Item.Description ; Unique identifier for the list of reported binding constant values. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Binding_value_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Name' _Item.ID 4468 _Item.Name '_Binding_value_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_value_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Data_file_name' _Item.ID 4469 _Item.Name '_Binding_value_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_value_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Sample_condition_list_ID' _Item.ID 4470 _Item.Name '_Binding_value_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_value_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Sample_condition_list_label' _Item.ID 4471 _Item.Name '_Binding_value_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the binding data. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Binding_value_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Details' _Item.ID 4472 _Item.Name '_Binding_value_list.Details' _Item.Description ; Text describing the reported binding values. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Binding_value_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Text_data_format' _Item.ID 4473 _Item.Name '_Binding_value_list.Text_data_format' _Item.Description ; The data format used to represent the binding data as ASCII text in the text block that is the value to the '_Binding_value_list.Text_data' tag. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_value_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Binding_value_list.Text_data' _Item.ID 4474 _Item.Name '_Binding_value_list.Text_data' _Item.Description ; A set of binding data formatted as ASCII text. ; _Item.Category_ID 312 _Item.Category_label $Binding_value_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Binding_experiment _Category.Sf_category category_description _Category.Sf_framecode Binding_experiment _Category.ID 313 _Category.Name 'Binding_experiment' _category.Description ; Items in the binding_experiment category provide pointers to the experiments and samples used to collect the data for a set of reported chemical binding experiments. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 76 _Category.Category_group_name binding_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4475 $_Binding_experiment.Experiment_ID '_Binding_experiment.Experiment_ID' 4481 $_Binding_experiment.Entry_ID '_Binding_experiment.Entry_ID' 4482 $_Binding_experiment.Binding_value_list_ID '_Binding_experiment.Binding_value_list_ID' 313 NMR-STAR stop_ save_ save__Binding_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Experiment_ID' _Item.ID 4475 _Item.Name '_Binding_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Experiment_name' _Item.ID 4476 _Item.Name '_Binding_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Sample_ID' _Item.ID 4477 _Item.Name '_Binding_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Sample_label' _Item.ID 4478 _Item.Name '_Binding_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Binding_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Sample_state' _Item.ID 4479 _Item.Name '_Binding_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Binding_experiment.Sample_state' anisotropic ? 4479 313 NMR-STAR '_Binding_experiment.Sample_state' isotropic ? 4479 313 NMR-STAR stop_ save_ save__Binding_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Sf_ID' _Item.ID 4480 _Item.Name '_Binding_experiment.Sf_ID' _Item.Description ; Pointer to '_Binding_value_list.Sf_ID' ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Entry_ID' _Item.ID 4481 _Item.Name '_Binding_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_experiment.Binding_value_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_experiment.Binding_value_list_ID' _Item.ID 4482 _Item.Name '_Binding_experiment.Binding_value_list_ID' _Item.Description ; Pointer to '_Binding_value_list.ID' ; _Item.Category_ID 313 _Item.Category_label $Binding_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Binding_software _Category.Sf_category category_description _Category.Sf_framecode Binding_software _Category.ID 314 _Category.Name 'Binding_software' _category.Description ; Items in the binding_software category provide pointers to the software category and methods category where descriptions of software applications and methods used to collect the reported data can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 76 _Category.Category_group_name binding_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4483 $_Binding_software.Software_ID '_Binding_software.Software_ID' 4488 $_Binding_software.Entry_ID '_Binding_software.Entry_ID' 4489 $_Binding_software.Binding_value_list_ID '_Binding_software.Binding_value_list_ID' 314 NMR-STAR stop_ save_ save__Binding_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Software_ID' _Item.ID 4483 _Item.Name '_Binding_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Software_label' _Item.ID 4484 _Item.Name '_Binding_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Binding_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Method_ID' _Item.ID 4485 _Item.Name '_Binding_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Method_label' _Item.ID 4486 _Item.Name '_Binding_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Binding_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Sf_ID' _Item.ID 4487 _Item.Name '_Binding_software.Sf_ID' _Item.Description ; Pointer to '_Binding_value_list.Sf_ID' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Entry_ID' _Item.ID 4488 _Item.Name '_Binding_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_software.Binding_value_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_software.Binding_value_list_ID' _Item.ID 4489 _Item.Name '_Binding_software.Binding_value_list_ID' _Item.Description ; Pointer to '_Binding_value_list.ID' ; _Item.Category_ID 314 _Item.Category_label $Binding_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Binding_result _Category.Sf_category category_description _Category.Sf_framecode Binding_result _Category.ID 315 _Category.Name 'Binding_result' _category.Description ; Items in the binding_result category describe the binding values that have been determined. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 76 _Category.Category_group_name binding_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4490 $_Binding_result.ID '_Binding_result.ID' 4513 $_Binding_result.Entry_ID '_Binding_result.Entry_ID' 4514 $_Binding_result.Binding_value_list_ID '_Binding_result.Binding_value_list_ID' 315 NMR-STAR stop_ save_ save__Binding_result.ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.ID' _Item.ID 4490 _Item.Name '_Binding_result.ID' _Item.Description ; Unique identifier for the observed binding constant. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Binding_result.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Experiment_ID' _Item.ID 4491 _Item.Name '_Binding_result.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_result.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Assembly_ID' _Item.ID 4492 _Item.Name '_Binding_result.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_assembly_atom_ID' _Item.ID 4493 _Item.Name '_Binding_result.Atm_obs_assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_entity_assembly_ID' _Item.ID 4494 _Item.Name '_Binding_result.Atm_obs_entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_entity_ID' _Item.ID 4495 _Item.Name '_Binding_result.Atm_obs_entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_comp_index_ID' _Item.ID 4496 _Item.Name '_Binding_result.Atm_obs_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_seq_ID' _Item.ID 4497 _Item.Name '_Binding_result.Atm_obs_seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_comp_ID' _Item.ID 4498 _Item.Name '_Binding_result.Atm_obs_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Atm_obs_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_atom_ID' _Item.ID 4499 _Item.Name '_Binding_result.Atm_obs_atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Binding_result.Atm_obs_atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_atom_type' _Item.ID 4500 _Item.Name '_Binding_result.Atm_obs_atom_type' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Atm_obs_atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_atom_isotope_number' _Item.ID 4501 _Item.Name '_Binding_result.Atm_obs_atom_isotope_number' _Item.Description ; The isotope number for the observed atom. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_result.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Resonance_ID' _Item.ID 4502 _Item.Name '_Binding_result.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Binding_result.Atm_obs_auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_auth_entity_assembly_ID' _Item.ID 4503 _Item.Name '_Binding_result.Atm_obs_auth_entity_assembly_ID' _Item.Description ; The '_entity_assembly_ID' assigned by the author. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Atm_obs_auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_auth_seq_ID' _Item.ID 4504 _Item.Name '_Binding_result.Atm_obs_auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Atm_obs_auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_auth_comp_ID' _Item.ID 4505 _Item.Name '_Binding_result.Atm_obs_auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Atm_obs_auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Atm_obs_auth_atom_ID' _Item.ID 4506 _Item.Name '_Binding_result.Atm_obs_auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Expt_observed_param _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Expt_observed_param' _Item.ID 4507 _Item.Name '_Binding_result.Expt_observed_param' _Item.Description ; The experimental parameter measured when collecting the data used to calculate the reported binding constants. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_result.Val_type _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Val_type' _Item.ID 4508 _Item.Name '_Binding_result.Val_type' _Item.Description ; The type of binding constant value computed. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_result.Val _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Val' _Item.ID 4509 _Item.Name '_Binding_result.Val' _Item.Description ; Binding value estimated from a fit of a binding titration data set. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Binding_result.Val_err _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Val_err' _Item.ID 4510 _Item.Name '_Binding_result.Val_err' _Item.Description ; Estimated error in the binding constant. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Binding_result.Val_units _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Val_units' _Item.ID 4511 _Item.Name '_Binding_result.Val_units' _Item.Description ; The units for the binding constant value. ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_result.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Sf_ID' _Item.ID 4512 _Item.Name '_Binding_result.Sf_ID' _Item.Description ; Pointer to '_Binding_value_list.Sf_ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_result.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Entry_ID' _Item.ID 4513 _Item.Name '_Binding_result.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_result.Binding_value_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_result.Binding_value_list_ID' _Item.ID 4514 _Item.Name '_Binding_result.Binding_value_list_ID' _Item.Description ; Pointer to '_Binding_value_list.ID' ; _Item.Category_ID 315 _Item.Category_label $Binding_result _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Binding_partners _Category.Sf_category category_description _Category.Sf_framecode Binding_partners _Category.ID 316 _Category.Name 'Binding_partners' _category.Description ; Items in the binding_partners category define the entities in the molecular assembly that are involved in the binding interaction that has been quantitated and reported. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 76 _Category.Category_group_name binding_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4516 $_Binding_partners.Assembly_ID '_Binding_partners.Assembly_ID' 4519 $_Binding_partners.Entity_ID '_Binding_partners.Entity_ID' 4522 $_Binding_partners.Entry_ID '_Binding_partners.Entry_ID' 4523 $_Binding_partners.Binding_value_list_ID '_Binding_partners.Binding_value_list_ID' 316 NMR-STAR stop_ save_ save__Binding_partners.Binding_result_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Binding_result_ID' _Item.ID 4515 _Item.Name '_Binding_partners.Binding_result_ID' _Item.Description ; Pointer to '_Binding_result.ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_partners.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Assembly_ID' _Item.ID 4516 _Item.Name '_Binding_partners.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_partners.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Entity_assembly_ID' _Item.ID 4517 _Item.Name '_Binding_partners.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_partners.Entity_assembly_name _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Entity_assembly_name' _Item.ID 4518 _Item.Name '_Binding_partners.Entity_assembly_name' _Item.Description ; Pointer to '_Entity_assembly.Entity_assembly_name' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_partners.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Entity_ID' _Item.ID 4519 _Item.Name '_Binding_partners.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_partners.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Entity_label' _Item.ID 4520 _Item.Name '_Binding_partners.Entity_label' _Item.Description ; Pointer to a save frame of the category 'Entity' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Binding_partners.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Sf_ID' _Item.ID 4521 _Item.Name '_Binding_partners.Sf_ID' _Item.Description ; Pointer to '_Binding_value_list.Sf_ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_partners.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Entry_ID' _Item.ID 4522 _Item.Name '_Binding_partners.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_partners.Binding_value_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_partners.Binding_value_list_ID' _Item.ID 4523 _Item.Name '_Binding_partners.Binding_value_list_ID' _Item.Description ; Pointer to '_Binding_value_list.ID' ; _Item.Category_ID 316 _Item.Category_label $Binding_partners _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Binding_param_list _Category.Sf_category category_description _Category.Sf_framecode Binding_param_list _Category.ID 317 _Category.Name 'Binding_param_list' _category.Description ; Items in the binding_param_list category provide details on the list of binding parameter data contained in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 77 _Category.Category_group_name binding_param_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4526 $_Binding_param_list.Entry_ID '_Binding_param_list.Entry_ID' 4528 $_Binding_param_list.ID '_Binding_param_list.ID' 317 NMR-STAR stop_ save_ save__Binding_param_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Sf_category' _Item.ID 4524 _Item.Name '_Binding_param_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_param_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Sf_framecode' _Item.ID 4525 _Item.Name '_Binding_param_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Binding_param_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Entry_ID' _Item.ID 4526 _Item.Name '_Binding_param_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_param_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Sf_ID' _Item.ID 4527 _Item.Name '_Binding_param_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Binding_param_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.ID' _Item.ID 4528 _Item.Name '_Binding_param_list.ID' _Item.Description ; Unique identifier for the list of data values used to calculate a pKa value. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Binding_param_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Name' _Item.ID 4529 _Item.Name '_Binding_param_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_param_list.Binding_value_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Binding_value_list_ID' _Item.ID 4530 _Item.Name '_Binding_param_list.Binding_value_list_ID' _Item.Description ; Pointer to '_Binding_value_list.ID' ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_param_list.Binding_value_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Binding_value_list_label' _Item.ID 4531 _Item.Name '_Binding_param_list.Binding_value_list_label' _Item.Description ; Pointer to the save frame where the binding constant values are reported that were calculated from the measured data values provided in this save frame. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Binding_param_list.Concentration_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Concentration_val_units' _Item.ID 4532 _Item.Name '_Binding_param_list.Concentration_val_units' _Item.Description ; Units for the concentration values reported in the save frame. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_param_list.Observed_param _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Observed_param' _Item.ID 4533 _Item.Name '_Binding_param_list.Observed_param' _Item.Description ; The experimental parameter measured when collecting the data used to calculate binding constants. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_param_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Data_file_name' _Item.ID 4534 _Item.Name '_Binding_param_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_param_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Details' _Item.ID 4535 _Item.Name '_Binding_param_list.Details' _Item.Description ; Text describing the reported binding parameter values. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Binding_param_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Text_data_format' _Item.ID 4536 _Item.Name '_Binding_param_list.Text_data_format' _Item.Description ; The data format used to represent the binding titration data as ASCII text in the text block that is the value to the '_Binding_param_list.Text_data' tag. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Binding_param_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param_list.Text_data' _Item.ID 4537 _Item.Name '_Binding_param_list.Text_data' _Item.Description ; A set of binding titration data formatted as ASCII text. ; _Item.Category_ID 317 _Item.Category_label $Binding_param_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Binding_param _Category.Sf_category category_description _Category.Sf_framecode Binding_param _Category.ID 318 _Category.Name 'Binding_param' _category.Description ; Items in the binding_param category provide the experimental values from a binding experiment used to determine a binding constant. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 77 _Category.Category_group_name binding_param_list _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4538 $_Binding_param.ID '_Binding_param.ID' 4547 $_Binding_param.Entry_ID '_Binding_param.Entry_ID' 4548 $_Binding_param.Binding_param_list_ID '_Binding_param.Binding_param_list_ID' 318 NMR-STAR stop_ save_ save__Binding_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.ID' _Item.ID 4538 _Item.Name '_Binding_param.ID' _Item.Description ; Unique identifier for the observed parameter value. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_param.Binding_result_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Binding_result_ID' _Item.ID 4539 _Item.Name '_Binding_param.Binding_result_ID' _Item.Description ; Pointer to '_Binding_result.ID' ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_param.Concentration_val _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Concentration_val' _Item.ID 4540 _Item.Name '_Binding_param.Concentration_val' _Item.Description ; Concentration value at which the observed parameter value was measured. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Binding_param.Concentration_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Concentration_val_err' _Item.ID 4541 _Item.Name '_Binding_param.Concentration_val_err' _Item.Description ; Error in the measured value. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Binding_param.Concentration_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Concentration_val_units' _Item.ID 4542 _Item.Name '_Binding_param.Concentration_val_units' _Item.Description ; The units for the concentration value. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_param.Observed_param_val _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Observed_param_val' _Item.ID 4543 _Item.Name '_Binding_param.Observed_param_val' _Item.Description ; Value for the observed parameter. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Binding_param.Observed_param_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Observed_param_val_err' _Item.ID 4544 _Item.Name '_Binding_param.Observed_param_val_err' _Item.Description ; Error in the reported parameter value. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Binding_param.Observed_param _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Observed_param' _Item.ID 4545 _Item.Name '_Binding_param.Observed_param' _Item.Description ; The name of the observed parameter. ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Binding_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Sf_ID' _Item.ID 4546 _Item.Name '_Binding_param.Sf_ID' _Item.Description ; Pointer to '_Binding_param_list.Sf_ID' ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Binding_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Entry_ID' _Item.ID 4547 _Item.Name '_Binding_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Binding_param.Binding_param_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Binding_param.Binding_param_list_ID' _Item.ID 4548 _Item.Name '_Binding_param.Binding_param_list_ID' _Item.Description ; Pointer to '_Binding_param_list.ID' ; _Item.Category_ID 318 _Item.Category_label $Binding_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_secd_struct_list _Category.Sf_category category_description _Category.Sf_framecode Deduced_secd_struct_list _Category.ID 319 _Category.Name 'Deduced_secd_struct_list' _category.Description ; Items in the deduced_secd_struct_list category provide information about a list of reported secondary structure elements deduced from experimental data and not from a calculated structure. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 78 _Category.Category_group_name deduced_secd_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4551 $_Deduced_secd_struct_list.Entry_ID '_Deduced_secd_struct_list.Entry_ID' 4553 $_Deduced_secd_struct_list.ID '_Deduced_secd_struct_list.ID' 319 NMR-STAR stop_ save_ save__Deduced_secd_struct_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Sf_category' _Item.ID 4549 _Item.Name '_Deduced_secd_struct_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Sf_framecode' _Item.ID 4550 _Item.Name '_Deduced_secd_struct_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Deduced_secd_struct_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Entry_ID' _Item.ID 4551 _Item.Name '_Deduced_secd_struct_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Sf_ID' _Item.ID 4552 _Item.Name '_Deduced_secd_struct_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Deduced_secd_struct_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.ID' _Item.ID 4553 _Item.Name '_Deduced_secd_struct_list.ID' _Item.Description ; Unique identifier for the list of reported secondary structure features. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Deduced_secd_struct_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Name' _Item.ID 4554 _Item.Name '_Deduced_secd_struct_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_secd_struct_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Data_file_name' _Item.ID 4555 _Item.Name '_Deduced_secd_struct_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_secd_struct_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Details' _Item.ID 4556 _Item.Name '_Deduced_secd_struct_list.Details' _Item.Description ; Text providing additional information about the set of secondary structural elements and their derivation. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Deduced_secd_struct_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Sample_condition_list_ID' _Item.ID 4557 _Item.Name '_Deduced_secd_struct_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Sample_condition_list_label' _Item.ID 4558 _Item.Name '_Deduced_secd_struct_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample_conditions' ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Deduced_secd_struct_list.Residue_struct_value_details _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Residue_struct_value_details' _Item.ID 4559 _Item.Name '_Deduced_secd_struct_list.Residue_struct_value_details' _Item.Description ; Text providing additional information about the values assigned to specific residues in the secondary structures. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Deduced_secd_struct_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Text_data_format' _Item.ID 4560 _Item.Name '_Deduced_secd_struct_list.Text_data_format' _Item.Description ; The data format used to represent the secondary structure data as ASCII text in the text block that is the value to the '_Deduced_secd_struct_list.Text_data' tag. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_secd_struct_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_list.Text_data' _Item.ID 4561 _Item.Name '_Deduced_secd_struct_list.Text_data' _Item.Description ; A set of secondary structure data formatted as ASCII text. ; _Item.Category_ID 319 _Item.Category_label $Deduced_secd_struct_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Deduced_secd_struct_experiment _Category.Sf_category category_description _Category.Sf_framecode Deduced_secd_struct_experiment _Category.ID 320 _Category.Name 'Deduced_secd_struct_experiment' _category.Description ; Items in the deduced_secd_struct_experiment category provide pointers to the NMR experiments and samples used to derive the data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 78 _Category.Category_group_name deduced_secd_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4562 $_Deduced_secd_struct_experiment.Experiment_ID '_Deduced_secd_struct_experiment.Experiment_ID' 4568 $_Deduced_secd_struct_experiment.Entry_ID '_Deduced_secd_struct_experiment.Entry_ID' 4569 $_Deduced_secd_struct_experiment.Deduced_secd_struct_list_ID '_Deduced_secd_struct_experiment.Deduced_secd_struct_list_ID' 320 NMR-STAR stop_ save_ save__Deduced_secd_struct_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Experiment_ID' _Item.ID 4562 _Item.Name '_Deduced_secd_struct_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Experiment_name' _Item.ID 4563 _Item.Name '_Deduced_secd_struct_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_secd_struct_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Sample_ID' _Item.ID 4564 _Item.Name '_Deduced_secd_struct_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Sample_label' _Item.ID 4565 _Item.Name '_Deduced_secd_struct_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Deduced_secd_struct_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Sample_state' _Item.ID 4566 _Item.Name '_Deduced_secd_struct_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Deduced_secd_struct_experiment.Sample_state' isotropic ? 4566 320 NMR-STAR '_Deduced_secd_struct_experiment.Sample_state' anisotropic ? 4566 320 NMR-STAR '_Deduced_secd_struct_experiment.Sample_state' solid ? 4566 320 NMR-STAR stop_ save_ save__Deduced_secd_struct_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Sf_ID' _Item.ID 4567 _Item.Name '_Deduced_secd_struct_experiment.Sf_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.Sf_ID' ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Entry_ID' _Item.ID 4568 _Item.Name '_Deduced_secd_struct_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_experiment.Deduced_secd_struct_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_experiment.Deduced_secd_struct_list_ID' _Item.ID 4569 _Item.Name '_Deduced_secd_struct_experiment.Deduced_secd_struct_list_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.ID' ; _Item.Category_ID 320 _Item.Category_label $Deduced_secd_struct_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_secd_struct_software _Category.Sf_category category_description _Category.Sf_framecode Deduced_secd_struct_software _Category.ID 321 _Category.Name 'Deduced_secd_struct_software' _category.Description ; Items in the deduced_secd_struct_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 78 _Category.Category_group_name deduced_secd_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4570 $_Deduced_secd_struct_software.Software_ID '_Deduced_secd_struct_software.Software_ID' 4575 $_Deduced_secd_struct_software.Entry_ID '_Deduced_secd_struct_software.Entry_ID' 4576 $_Deduced_secd_struct_software.Deduced_secd_struct_list_ID '_Deduced_secd_struct_software.Deduced_secd_struct_list_ID' 321 NMR-STAR stop_ save_ save__Deduced_secd_struct_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Software_ID' _Item.ID 4570 _Item.Name '_Deduced_secd_struct_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Software_label' _Item.ID 4571 _Item.Name '_Deduced_secd_struct_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Deduced_secd_struct_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Method_ID' _Item.ID 4572 _Item.Name '_Deduced_secd_struct_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Method_label' _Item.ID 4573 _Item.Name '_Deduced_secd_struct_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Deduced_secd_struct_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Sf_ID' _Item.ID 4574 _Item.Name '_Deduced_secd_struct_software.Sf_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.Sf_ID' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Entry_ID' _Item.ID 4575 _Item.Name '_Deduced_secd_struct_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_software.Deduced_secd_struct_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_software.Deduced_secd_struct_list_ID' _Item.ID 4576 _Item.Name '_Deduced_secd_struct_software.Deduced_secd_struct_list_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.ID' ; _Item.Category_ID 321 _Item.Category_label $Deduced_secd_struct_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_secd_struct_exptl _Category.Sf_category category_description _Category.Sf_framecode Deduced_secd_struct_exptl _Category.ID 322 _Category.Name 'Deduced_secd_struct_exptl' _category.Description ; Items in the deduced_secd_struct_exptl describe secondary structure elements and their orientations determined experimentally. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 78 _Category.Category_group_name deduced_secd_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4577 $_Deduced_secd_struct_exptl.ID '_Deduced_secd_struct_exptl.ID' 4593 $_Deduced_secd_struct_exptl.Entry_ID '_Deduced_secd_struct_exptl.Entry_ID' 4594 $_Deduced_secd_struct_exptl.Deduced_secd_struct_list_ID '_Deduced_secd_struct_exptl.Deduced_secd_struct_list_ID' 322 NMR-STAR stop_ save_ save__Deduced_secd_struct_exptl.ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.ID' _Item.ID 4577 _Item.Name '_Deduced_secd_struct_exptl.ID' _Item.Description ; An integer value that uniquely defines the secondary structure in the list. ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Entity_assembly_ID' _Item.ID 4578 _Item.Name '_Deduced_secd_struct_exptl.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Entity_ID' _Item.ID 4579 _Item.Name '_Deduced_secd_struct_exptl.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Comp_index_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Comp_index_ID_start' _Item.ID 4580 _Item.Name '_Deduced_secd_struct_exptl.Comp_index_ID_start' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Comp_index_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Comp_index_ID_end' _Item.ID 4581 _Item.Name '_Deduced_secd_struct_exptl.Comp_index_ID_end' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Seq_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Seq_ID_start' _Item.ID 4582 _Item.Name '_Deduced_secd_struct_exptl.Seq_ID_start' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Seq_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Seq_ID_end' _Item.ID 4583 _Item.Name '_Deduced_secd_struct_exptl.Seq_ID_end' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Auth_seq_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Auth_seq_ID_start' _Item.ID 4584 _Item.Name '_Deduced_secd_struct_exptl.Auth_seq_ID_start' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_exptl.Auth_seq_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Auth_seq_ID_end' _Item.ID 4585 _Item.Name '_Deduced_secd_struct_exptl.Auth_seq_ID_end' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_exptl.Name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Name' _Item.ID 4586 _Item.Name '_Deduced_secd_struct_exptl.Name' _Item.Description ; Name assigned to the secondary structural element. ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Deduced_secd_struct_exptl.Code _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Code' _Item.ID 4587 _Item.Name '_Deduced_secd_struct_exptl.Code' _Item.Description ; Code that defines the type of secondary structural element. ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_exptl.Static_field_orientation_angle _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Static_field_orientation_angle' _Item.ID 4588 _Item.Name '_Deduced_secd_struct_exptl.Static_field_orientation_angle' _Item.Description ; The angle between the axis of+BA1528 a helical structural element and the static field (Bo) for a solid state sample. ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Deduced_secd_struct_exptl.Selection_method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Selection_method_ID' _Item.ID 4589 _Item.Name '_Deduced_secd_struct_exptl.Selection_method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Selection_method_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Selection_method_label' _Item.ID 4590 _Item.Name '_Deduced_secd_struct_exptl.Selection_method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Deduced_secd_struct_exptl.Details _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Details' _Item.ID 4591 _Item.Name '_Deduced_secd_struct_exptl.Details' _Item.Description ; Text providing additional information regarding the secondary structure element. ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Deduced_secd_struct_exptl.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Sf_ID' _Item.ID 4592 _Item.Name '_Deduced_secd_struct_exptl.Sf_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.Sf_ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_exptl.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Entry_ID' _Item.ID 4593 _Item.Name '_Deduced_secd_struct_exptl.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_exptl.Deduced_secd_struct_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_exptl.Deduced_secd_struct_list_ID' _Item.ID 4594 _Item.Name '_Deduced_secd_struct_exptl.Deduced_secd_struct_list_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.ID' ; _Item.Category_ID 322 _Item.Category_label $Deduced_secd_struct_exptl _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_secd_struct_feature _Category.Sf_category category_description _Category.Sf_framecode Deduced_secd_struct_feature _Category.ID 323 _Category.Name 'Deduced_secd_struct_feature' _category.Description ; Items in the deduced_secd_struct_feature category define the kinds of secondary structure features that have been deduced to exist from the experimental data in an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 78 _Category.Category_group_name deduced_secd_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4595 $_Deduced_secd_struct_feature.ID '_Deduced_secd_struct_feature.ID' 4597 $_Deduced_secd_struct_feature.Entity_assembly_ID '_Deduced_secd_struct_feature.Entity_assembly_ID' 4599 $_Deduced_secd_struct_feature.Comp_index_ID '_Deduced_secd_struct_feature.Comp_index_ID' 4602 $_Deduced_secd_struct_feature.Atom_ID '_Deduced_secd_struct_feature.Atom_ID' 4613 $_Deduced_secd_struct_feature.Entry_ID '_Deduced_secd_struct_feature.Entry_ID' 4614 $_Deduced_secd_struct_feature.Deduced_secd_struct_list_ID '_Deduced_secd_struct_feature.Deduced_secd_struct_list_ID' 323 NMR-STAR stop_ save_ save__Deduced_secd_struct_feature.ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.ID' _Item.ID 4595 _Item.Name '_Deduced_secd_struct_feature.ID' _Item.Description ; Unique identifier for the reported secondary structure feature. ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Assembly_atom_ID' _Item.ID 4596 _Item.Name '_Deduced_secd_struct_feature.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Entity_assembly_ID' _Item.ID 4597 _Item.Name '_Deduced_secd_struct_feature.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Entity_ID' _Item.ID 4598 _Item.Name '_Deduced_secd_struct_feature.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Comp_index_ID' _Item.ID 4599 _Item.Name '_Deduced_secd_struct_feature.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Seq_ID' _Item.ID 4600 _Item.Name '_Deduced_secd_struct_feature.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Comp_ID' _Item.ID 4601 _Item.Name '_Deduced_secd_struct_feature.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Atom_ID' _Item.ID 4602 _Item.Name '_Deduced_secd_struct_feature.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Deduced_secd_struct_feature.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Atom_type' _Item.ID 4603 _Item.Name '_Deduced_secd_struct_feature.Atom_type' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Chem_comp_struct_val _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Chem_comp_struct_val' _Item.ID 4604 _Item.Name '_Deduced_secd_struct_feature.Chem_comp_struct_val' _Item.Description ; A value defining the assignment of the chemical component to a secondary structure feature. ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Deduced_secd_struct_feature.Chem_comp_struct_element_type _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Chem_comp_struct_element_type' _Item.ID 4605 _Item.Name '_Deduced_secd_struct_feature.Chem_comp_struct_element_type' _Item.Description ; Enter a name for this secondary structure element ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Figure_of_merit' _Item.ID 4606 _Item.Name '_Deduced_secd_struct_feature.Figure_of_merit' _Item.Description ; A value that indicates the certainty with which this secondary structure feature has been determined. ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Deduced_secd_struct_feature.Spin_system_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Spin_system_ID' _Item.ID 4607 _Item.Name '_Deduced_secd_struct_feature.Spin_system_ID' _Item.Description ; Pointer to '_Spin_system.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Auth_entity_assembly_ID' _Item.ID 4608 _Item.Name '_Deduced_secd_struct_feature.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Auth_seq_ID' _Item.ID 4609 _Item.Name '_Deduced_secd_struct_feature.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Auth_comp_ID' _Item.ID 4610 _Item.Name '_Deduced_secd_struct_feature.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Auth_atom_ID' _Item.ID 4611 _Item.Name '_Deduced_secd_struct_feature.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Sf_ID' _Item.ID 4612 _Item.Name '_Deduced_secd_struct_feature.Sf_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.Sf_ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_secd_struct_feature.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Entry_ID' _Item.ID 4613 _Item.Name '_Deduced_secd_struct_feature.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_secd_struct_feature.Deduced_secd_struct_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_secd_struct_feature.Deduced_secd_struct_list_ID' _Item.ID 4614 _Item.Name '_Deduced_secd_struct_feature.Deduced_secd_struct_list_ID' _Item.Description ; Pointer to '_Deduced_secd_struct_list.ID' ; _Item.Category_ID 323 _Item.Category_label $Deduced_secd_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_H_bond_list _Category.Sf_category category_description _Category.Sf_framecode Deduced_H_bond_list _Category.ID 324 _Category.Name 'Deduced_H_bond_list' _category.Description ; Items in the deduced_H_bond_list category provide information about a list of reported hydrogen bonds deduced from experimental data and not from a calculated structure. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 79 _Category.Category_group_name deduced_hydrogen_bonds _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4617 $_Deduced_H_bond_list.Entry_ID '_Deduced_H_bond_list.Entry_ID' 4619 $_Deduced_H_bond_list.ID '_Deduced_H_bond_list.ID' 324 NMR-STAR stop_ save_ save__Deduced_H_bond_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Sf_category' _Item.ID 4615 _Item.Name '_Deduced_H_bond_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Sf_framecode' _Item.ID 4616 _Item.Name '_Deduced_H_bond_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Deduced_H_bond_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Entry_ID' _Item.ID 4617 _Item.Name '_Deduced_H_bond_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Sf_ID' _Item.ID 4618 _Item.Name '_Deduced_H_bond_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Deduced_H_bond_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.ID' _Item.ID 4619 _Item.Name '_Deduced_H_bond_list.ID' _Item.Description ; Unique identifier for the list of reported hydrogen bonds deduced from experimental data. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Deduced_H_bond_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Name' _Item.ID 4620 _Item.Name '_Deduced_H_bond_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_H_bond_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Data_file_name' _Item.ID 4621 _Item.Name '_Deduced_H_bond_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_H_bond_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Details' _Item.ID 4622 _Item.Name '_Deduced_H_bond_list.Details' _Item.Description ; Text providing additional information regarding the hydrogen bonds. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Deduced_H_bond_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Sample_condition_list_ID' _Item.ID 4623 _Item.Name '_Deduced_H_bond_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Sample_condition_list_label' _Item.ID 4624 _Item.Name '_Deduced_H_bond_list.Sample_condition_list_label' _Item.Description ; Pointer to a save frame of the category 'sample_conditions' ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Deduced_H_bond_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Text_data_format' _Item.ID 4625 _Item.Name '_Deduced_H_bond_list.Text_data_format' _Item.Description ; The data format used to represent the deduced hydrogen bond data as ASCII text in the text block that is the value to the '_Deduced_H_bond_list.Text_data' tag. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_H_bond_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_list.Text_data' _Item.ID 4626 _Item.Name '_Deduced_H_bond_list.Text_data' _Item.Description ; A set of hydrogen bond data formatted as ASCII text. ; _Item.Category_ID 324 _Item.Category_label $Deduced_H_bond_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Deduced_H_bond_experiment _Category.Sf_category category_description _Category.Sf_framecode Deduced_H_bond_experiment _Category.ID 325 _Category.Name 'Deduced_H_bond_experiment' _category.Description ; Items in the deduced_H_bond_experiment category provide pointers to the NMR experiments and samples used to derive the data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 79 _Category.Category_group_name deduced_hydrogen_bonds _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4627 $_Deduced_H_bond_experiment.Experiment_ID '_Deduced_H_bond_experiment.Experiment_ID' 4633 $_Deduced_H_bond_experiment.Entry_ID '_Deduced_H_bond_experiment.Entry_ID' 4634 $_Deduced_H_bond_experiment.Deduced_H_bond_list_ID '_Deduced_H_bond_experiment.Deduced_H_bond_list_ID' 325 NMR-STAR stop_ save_ save__Deduced_H_bond_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Experiment_ID' _Item.ID 4627 _Item.Name '_Deduced_H_bond_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Experiment_name' _Item.ID 4628 _Item.Name '_Deduced_H_bond_experiment.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Deduced_H_bond_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Sample_ID' _Item.ID 4629 _Item.Name '_Deduced_H_bond_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_H_bond_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Sample_label' _Item.ID 4630 _Item.Name '_Deduced_H_bond_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Deduced_H_bond_experiment.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Sample_state' _Item.ID 4631 _Item.Name '_Deduced_H_bond_experiment.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Deduced_H_bond_experiment.Sample_state' isotropic ? 4631 325 NMR-STAR '_Deduced_H_bond_experiment.Sample_state' anisotropic ? 4631 325 NMR-STAR '_Deduced_H_bond_experiment.Sample_state' solid ? 4631 325 NMR-STAR stop_ save_ save__Deduced_H_bond_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Sf_ID' _Item.ID 4632 _Item.Name '_Deduced_H_bond_experiment.Sf_ID' _Item.Description ; Pointer to '_Deduced_H_bond_list.Sf_ID' ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Entry_ID' _Item.ID 4633 _Item.Name '_Deduced_H_bond_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond_experiment.Deduced_H_bond_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_experiment.Deduced_H_bond_list_ID' _Item.ID 4634 _Item.Name '_Deduced_H_bond_experiment.Deduced_H_bond_list_ID' _Item.Description ; Pointer to '_Deduced_H_bond_list.ID' ; _Item.Category_ID 325 _Item.Category_label $Deduced_H_bond_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_H_bond_software _Category.Sf_category category_description _Category.Sf_framecode Deduced_H_bond_software _Category.ID 326 _Category.Name 'Deduced_H_bond_software' _category.Description ; Items in the deduced_H_bond_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 79 _Category.Category_group_name deduced_hydrogen_bonds _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4635 $_Deduced_H_bond_software.Software_ID '_Deduced_H_bond_software.Software_ID' 4640 $_Deduced_H_bond_software.Entry_ID '_Deduced_H_bond_software.Entry_ID' 4641 $_Deduced_H_bond_software.Deduced_H_bond_list_ID '_Deduced_H_bond_software.Deduced_H_bond_list_ID' 326 NMR-STAR stop_ save_ save__Deduced_H_bond_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Software_ID' _Item.ID 4635 _Item.Name '_Deduced_H_bond_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Software_label' _Item.ID 4636 _Item.Name '_Deduced_H_bond_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Deduced_H_bond_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Method_ID' _Item.ID 4637 _Item.Name '_Deduced_H_bond_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_H_bond_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Method_label' _Item.ID 4638 _Item.Name '_Deduced_H_bond_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Deduced_H_bond_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Sf_ID' _Item.ID 4639 _Item.Name '_Deduced_H_bond_software.Sf_ID' _Item.Description ; Pointer to '_Deduced_H_bond_list.Sf_ID' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Entry_ID' _Item.ID 4640 _Item.Name '_Deduced_H_bond_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond_software.Deduced_H_bond_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond_software.Deduced_H_bond_list_ID' _Item.ID 4641 _Item.Name '_Deduced_H_bond_software.Deduced_H_bond_list_ID' _Item.Description ; Pointer to '_Deduced_H_bond_list.ID' ; _Item.Category_ID 326 _Item.Category_label $Deduced_H_bond_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Deduced_H_bond _Category.Sf_category category_description _Category.Sf_framecode Deduced_H_bond _Category.ID 327 _Category.Name 'Deduced_H_bond' _category.Description ; Items in the deduced_H_bond category define the hydrogen bonds that have been deduced to exist in a molecular structure from the experimental data provided in an entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 79 _Category.Category_group_name deduced_hydrogen_bonds _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4642 $_Deduced_H_bond.ID '_Deduced_H_bond.ID' 4681 $_Deduced_H_bond.Entry_ID '_Deduced_H_bond.Entry_ID' 4682 $_Deduced_H_bond.Deduced_hydrogen_bond_list_ID '_Deduced_H_bond.Deduced_hydrogen_bond_list_ID' 327 NMR-STAR stop_ save_ save__Deduced_H_bond.ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.ID' _Item.ID 4642 _Item.Name '_Deduced_H_bond.ID' _Item.Description ; Unique identifier for the hydrogen bond deduced from experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Donor_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Donor_atom_ID' _Item.ID 4643 _Item.Name '_Deduced_H_bond.Donor_atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID'. The atom designated is the one that is donating the proton in the hydrogen bond. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Deduced_H_bond.Heavy_atom_assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_assembly_atom_ID_1' _Item.ID 4644 _Item.Name '_Deduced_H_bond.Heavy_atom_assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_entity_assembly_ID_1' _Item.ID 4645 _Item.Name '_Deduced_H_bond.Heavy_atom_entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_entity_ID_1' _Item.ID 4646 _Item.Name '_Deduced_H_bond.Heavy_atom_entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_comp_index_ID_1' _Item.ID 4647 _Item.Name '_Deduced_H_bond.Heavy_atom_comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_seq_ID_1' _Item.ID 4648 _Item.Name '_Deduced_H_bond.Heavy_atom_seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_comp_ID_1' _Item.ID 4649 _Item.Name '_Deduced_H_bond.Heavy_atom_comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_atom_ID_1' _Item.ID 4650 _Item.Name '_Deduced_H_bond.Heavy_atom_atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Deduced_H_bond.Heavy_atom_atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_atom_type_1' _Item.ID 4651 _Item.Name '_Deduced_H_bond.Heavy_atom_atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_assembly_atom_ID_2' _Item.ID 4652 _Item.Name '_Deduced_H_bond.Heavy_atom_assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_entity_assembly_ID_2' _Item.ID 4653 _Item.Name '_Deduced_H_bond.Heavy_atom_entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_entity_ID_2' _Item.ID 4654 _Item.Name '_Deduced_H_bond.Heavy_atom_entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_comp_index_ID_2' _Item.ID 4655 _Item.Name '_Deduced_H_bond.Heavy_atom_comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_seq_ID_2' _Item.ID 4656 _Item.Name '_Deduced_H_bond.Heavy_atom_seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Heavy_atom_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_comp_ID_2' _Item.ID 4657 _Item.Name '_Deduced_H_bond.Heavy_atom_comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_atom_ID_2' _Item.ID 4658 _Item.Name '_Deduced_H_bond.Heavy_atom_atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Deduced_H_bond.Heavy_atom_atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_atom_type_2' _Item.ID 4659 _Item.Name '_Deduced_H_bond.Heavy_atom_atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_entity_assembly_ID_1' _Item.ID 4660 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_seq_ID_1' _Item.ID 4661 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_comp_ID_1' _Item.ID 4662 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_atom_ID_1' _Item.ID 4663 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_entity_assembly_ID_2' _Item.ID 4664 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_seq_ID_2' _Item.ID 4665 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_comp_ID_2' _Item.ID 4666 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Heavy_atom_auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Heavy_atom_auth_atom_ID_2' _Item.ID 4667 _Item.Name '_Deduced_H_bond.Heavy_atom_auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.H_atom_assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_assembly_atom_ID' _Item.ID 4668 _Item.Name '_Deduced_H_bond.H_atom_assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Deduced_H_bond.H_atom_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_entity_assembly_ID' _Item.ID 4669 _Item.Name '_Deduced_H_bond.H_atom_entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.H_atom_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_entity_ID' _Item.ID 4670 _Item.Name '_Deduced_H_bond.H_atom_entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.H_atom_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_comp_index_ID' _Item.ID 4671 _Item.Name '_Deduced_H_bond.H_atom_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.H_atom_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_seq_ID' _Item.ID 4672 _Item.Name '_Deduced_H_bond.H_atom_seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.H_atom_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_comp_ID' _Item.ID 4673 _Item.Name '_Deduced_H_bond.H_atom_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond.H_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_ID' _Item.ID 4674 _Item.Name '_Deduced_H_bond.H_atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Deduced_H_bond.H_atom_auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_auth_entity_assembly_ID' _Item.ID 4675 _Item.Name '_Deduced_H_bond.H_atom_auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.H_atom_auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_auth_seq_ID' _Item.ID 4676 _Item.Name '_Deduced_H_bond.H_atom_auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.H_atom_auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_auth_comp_ID' _Item.ID 4677 _Item.Name '_Deduced_H_bond.H_atom_auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.H_atom_auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.H_atom_auth_atom_ID' _Item.ID 4678 _Item.Name '_Deduced_H_bond.H_atom_auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Deduced_H_bond.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Figure_of_merit' _Item.ID 4679 _Item.Name '_Deduced_H_bond.Figure_of_merit' _Item.Description ; A value that indicates the certainty with which this hydrogen bond is believed to exist. ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Deduced_H_bond.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Sf_ID' _Item.ID 4680 _Item.Name '_Deduced_H_bond.Sf_ID' _Item.Description ; Pointer to '_Deduced_H_bond_list.Sf_ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Deduced_H_bond.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Entry_ID' _Item.ID 4681 _Item.Name '_Deduced_H_bond.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Deduced_H_bond.Deduced_hydrogen_bond_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Deduced_H_bond.Deduced_hydrogen_bond_list_ID' _Item.ID 4682 _Item.Name '_Deduced_H_bond.Deduced_hydrogen_bond_list_ID' _Item.Description ; Pointer to '_Deduced_H_bond_list.ID' ; _Item.Category_ID 327 _Item.Category_label $Deduced_H_bond _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conformer_stat_list _Category.Sf_category category_description _Category.Sf_framecode Conformer_stat_list _Category.ID 328 _Category.Name 'Conformer_stat_list' _category.Description ; Items in the conformer_stat_list category provide information about a list of reported statistics derived from a set of conformers calculated for a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 80 _Category.Category_group_name conformer_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4685 $_Conformer_stat_list.Entry_ID '_Conformer_stat_list.Entry_ID' 4687 $_Conformer_stat_list.ID '_Conformer_stat_list.ID' 328 NMR-STAR stop_ save_ save__Conformer_stat_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Sf_category' _Item.ID 4683 _Item.Name '_Conformer_stat_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_stat_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Sf_framecode' _Item.ID 4684 _Item.Name '_Conformer_stat_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Conformer_stat_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Entry_ID' _Item.ID 4685 _Item.Name '_Conformer_stat_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_stat_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Sf_ID' _Item.ID 4686 _Item.Name '_Conformer_stat_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Conformer_stat_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.ID' _Item.ID 4687 _Item.Name '_Conformer_stat_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of conformer statistics from other save frames of this category in an entry. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Conformer_stat_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Name' _Item.ID 4688 _Item.Name '_Conformer_stat_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list.Conformer_ensemble_only _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Conformer_ensemble_only' _Item.ID 4689 _Item.Name '_Conformer_stat_list.Conformer_ensemble_only' _Item.Description ; Check this box if your atomic coordinate file contains data for an ensemble of structures, where one structure from the ensemble will be designated as a representative structure. All of the members of the ensemble have been calculated using the same metho ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Conformer_stat_list.Both_ensemble_and_rep_conformer _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Both_ensemble_and_rep_conformer' _Item.ID 4690 _Item.Name '_Conformer_stat_list.Both_ensemble_and_rep_conformer' _Item.Description ; Select this box if your atomic coordinate file contains data for an ensemble of conformers and a representative conformer derived using a method different from that used for the other conformers in the file. An example would be a file that contains an en ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Conformer_stat_list.Representative_conformer_only _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Representative_conformer_only' _Item.ID 4691 _Item.Name '_Conformer_stat_list.Representative_conformer_only' _Item.Description ; Check this box if your atomic coordinate file contains the data for a single structure. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Conformer_stat_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Data_file_name' _Item.ID 4692 _Item.Name '_Conformer_stat_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Text_data_format' _Item.ID 4693 _Item.Name '_Conformer_stat_list.Text_data_format' _Item.Description ; The data format used to represent the conformer statistical data as ASCII text in the text block that is the value to the '_Conformer_stat_list.Text_data' tag. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Text_data' _Item.ID 4694 _Item.Name '_Conformer_stat_list.Text_data' _Item.Description ; A set of conformer statistics data formatted as ASCII text. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Conformer_stat_list.Original_conformer_stats_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Original_conformer_stats_file_ID' _Item.ID 4695 _Item.Name '_Conformer_stat_list.Original_conformer_stats_file_ID' _Item.Description ; Local unique identifier assigned to the conformer statistics file submitted by a depositor. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conformer_stat_list.Conf_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Conf_family_coord_set_ID' _Item.ID 4696 _Item.Name '_Conformer_stat_list.Conf_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_stat_list.Conf_family_coord_set_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Conf_family_coord_set_label' _Item.ID 4697 _Item.Name '_Conformer_stat_list.Conf_family_coord_set_label' _Item.Description ; Pointer to a save frame of the category conformer_family_coord_set. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Conformer_stat_list.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Representative_conformer_ID' _Item.ID 4698 _Item.Name '_Conformer_stat_list.Representative_conformer_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conformer_stat_list.Representative_conformer_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Representative_conformer_label' _Item.ID 4699 _Item.Name '_Conformer_stat_list.Representative_conformer_label' _Item.Description ; Pointer to save frame of category 'representative_conformer' ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Conformer_stat_list.Conformer_calculated_total_num _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Conformer_calculated_total_num' _Item.ID 4700 _Item.Name '_Conformer_stat_list.Conformer_calculated_total_num' _Item.Description ; Enter the total number of conformers that were calculated. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_stat_list.Conformer_submitted_total_num _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Conformer_submitted_total_num' _Item.ID 4701 _Item.Name '_Conformer_stat_list.Conformer_submitted_total_num' _Item.Description ; Provide the number of conformers deposited. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_stat_list.Conformer_selection_criteria _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Conformer_selection_criteria' _Item.ID 4702 _Item.Name '_Conformer_stat_list.Conformer_selection_criteria' _Item.Description ; Give the criteria used to select the conformers that have been deposited from the total number of calculated conformers. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Conformer_stat_list.Conformer_selection_criteria' 'all calculated structures submitted' ? 4702 328 NMR-STAR '_Conformer_stat_list.Conformer_selection_criteria' 'back calculated data agree with experimental NOESY spectrum' ? 4702 328 NMR-STAR '_Conformer_stat_list.Conformer_selection_criteria' 'structures with the lowest energy' ? 4702 328 NMR-STAR '_Conformer_stat_list.Conformer_selection_criteria' 'structures with the least restraint violations' ? 4702 328 NMR-STAR '_Conformer_stat_list.Conformer_selection_criteria' 'structures with acceptable covalent geometry' ? 4702 328 NMR-STAR '_Conformer_stat_list.Conformer_selection_criteria' 'structures with favorable non-bond energy' ? 4702 328 NMR-STAR '_Conformer_stat_list.Conformer_selection_criteria' 'target function' ? 4702 328 NMR-STAR stop_ save_ save__Conformer_stat_list.Representative_conformer _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Representative_conformer' _Item.ID 4703 _Item.Name '_Conformer_stat_list.Representative_conformer' _Item.Description ; From the deposited family of conformers, enter the number or position of the conformer in the family that is representative for the family. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_stat_list.Rep_conformer_selection_criteria _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Rep_conformer_selection_criteria' _Item.ID 4704 _Item.Name '_Conformer_stat_list.Rep_conformer_selection_criteria' _Item.Description ; Enter the criteria used to select the conformer defined as representative of the conformer family. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Conformer_stat_list.Rep_conformer_selection_criteria' 'closest to the average' ? 4704 328 NMR-STAR '_Conformer_stat_list.Rep_conformer_selection_criteria' 'lowest energy' ? 4704 328 NMR-STAR '_Conformer_stat_list.Rep_conformer_selection_criteria' 'fewest violations' ? 4704 328 NMR-STAR '_Conformer_stat_list.Rep_conformer_selection_criteria' 'minimized average structure' ? 4704 328 NMR-STAR stop_ save_ save__Conformer_stat_list.Statistical_struct_param_details _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Statistical_struct_param_details' _Item.ID 4705 _Item.Name '_Conformer_stat_list.Statistical_struct_param_details' _Item.Description ; Text providing additional information regarding the reported statistical parameters for the conformer family and representative conformer. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Conformer_stat_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list.Details' _Item.ID 4706 _Item.Name '_Conformer_stat_list.Details' _Item.Description ; Text providing additional information regarding the conformer statistics. ; _Item.Category_ID 328 _Item.Category_label $Conformer_stat_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Conformer_stat_list_ens _Category.Sf_category category_description _Category.Sf_framecode Conformer_stat_list_ens _Category.ID 329 _Category.Name 'Conformer_stat_list_ens' _category.Description ; Items in the conformer_stat_list_ens category provide statistical measures describing the characteristics and quality of the ensemble of conformers provided in the entry. ; _Category.Loop_code yes _Category.Category_group_ID 80 _Category.Category_group_name conformer_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4758 $_Conformer_stat_list_ens.Entry_ID '_Conformer_stat_list_ens.Entry_ID' 4759 $_Conformer_stat_list_ens.Conformer_stat_list_ID '_Conformer_stat_list_ens.Conformer_stat_list_ID' 329 NMR-STAR stop_ save_ save__Conformer_stat_list_ens.Stats_not_available _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Stats_not_available' _Item.ID 4707 _Item.Name '_Conformer_stat_list_ens.Stats_not_available' _Item.Description ; Depositors are strongly encouraged to enter a few statistical parameters that described the deposited ensemble of conformers. If this information cannot be entered at the time of deposition, check the box provided. After checking the box and clicking on t ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Conformer_stat_list_ens.Ramachan_most_favored_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Ramachan_most_favored_pct' _Item.ID 4708 _Item.Name '_Conformer_stat_list_ens.Ramachan_most_favored_pct' _Item.Description ; Percent of residues in the most favored region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Ramachan_allowed_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Ramachan_allowed_pct' _Item.ID 4709 _Item.Name '_Conformer_stat_list_ens.Ramachan_allowed_pct' _Item.Description ; Percent of residues in the allowed region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Ramachan_gen_allowed_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Ramachan_gen_allowed_pct' _Item.ID 4710 _Item.Name '_Conformer_stat_list_ens.Ramachan_gen_allowed_pct' _Item.Description ; Percent of residues in the generously allowed region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Ramachan_disallowed_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Ramachan_disallowed_pct' _Item.ID 4711 _Item.Name '_Conformer_stat_list_ens.Ramachan_disallowed_pct' _Item.Description ; Percent of residues in the disallowed region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Total_E_value_ _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Total_E_value_' _Item.ID 4712 _Item.Name '_Conformer_stat_list_ens.Total_E_value_' _Item.Description ; Total energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Total_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Total_E_value_err' _Item.ID 4713 _Item.Name '_Conformer_stat_list_ens.Total_E_value_err' _Item.Description ; Estimated error in the total energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Bond_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Bond_E_value' _Item.ID 4714 _Item.Name '_Conformer_stat_list_ens.Bond_E_value' _Item.Description ; Bond energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Bond_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Bond_E_value_err' _Item.ID 4715 _Item.Name '_Conformer_stat_list_ens.Bond_E_value_err' _Item.Description ; Estimated error in the bond energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Angle_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Angle_E_value' _Item.ID 4716 _Item.Name '_Conformer_stat_list_ens.Angle_E_value' _Item.Description ; Angle energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Angle_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Angle_E_value_err' _Item.ID 4717 _Item.Name '_Conformer_stat_list_ens.Angle_E_value_err' _Item.Description ; Estimated error in the angle energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Improper_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Improper_E_value' _Item.ID 4718 _Item.Name '_Conformer_stat_list_ens.Improper_E_value' _Item.Description ; Impropers energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Improper_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Improper_E_value_err' _Item.ID 4719 _Item.Name '_Conformer_stat_list_ens.Improper_E_value_err' _Item.Description ; Estimated error in the impropers energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Van_der_Waals_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Van_der_Waals_E_value' _Item.ID 4720 _Item.Name '_Conformer_stat_list_ens.Van_der_Waals_E_value' _Item.Description ; Van der Waals energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Van_der_Waals_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Van_der_Waals_E_value_err' _Item.ID 4721 _Item.Name '_Conformer_stat_list_ens.Van_der_Waals_E_value_err' _Item.Description ; Estimated error in the Van der Waals energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Torsional_angle_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Torsional_angle_E_value' _Item.ID 4722 _Item.Name '_Conformer_stat_list_ens.Torsional_angle_E_value' _Item.Description ; Torsion angle energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Torsional_angle_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Torsional_angle_E_value_err' _Item.ID 4723 _Item.Name '_Conformer_stat_list_ens.Torsional_angle_E_value_err' _Item.Description ; Estimated error in the torsion angle energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.NCS_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.NCS_E_value' _Item.ID 4724 _Item.Name '_Conformer_stat_list_ens.NCS_E_value' _Item.Description ; Non-crystallographic symmetry energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.NCS_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.NCS_E_value_err' _Item.ID 4725 _Item.Name '_Conformer_stat_list_ens.NCS_E_value_err' _Item.Description ; Estimated error in the non-crystallographic symmetry energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Lennard_Jones_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Lennard_Jones_E_value' _Item.ID 4726 _Item.Name '_Conformer_stat_list_ens.Lennard_Jones_E_value' _Item.Description ; Leonard-Jones energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Lennard_Jones_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Lennard_Jones_E_value_err' _Item.ID 4727 _Item.Name '_Conformer_stat_list_ens.Lennard_Jones_E_value_err' _Item.Description ; Estimated error in the Leonard-Jones energy value calculated for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Covalent_bond_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Covalent_bond_rmsd' _Item.ID 4728 _Item.Name '_Conformer_stat_list_ens.Covalent_bond_rmsd' _Item.Description ; Root mean squared deviation of bond lengths from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Covalent_bond_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Covalent_bond_rmsd_err' _Item.ID 4729 _Item.Name '_Conformer_stat_list_ens.Covalent_bond_rmsd_err' _Item.Description ; Estimated error in the rmsd value for bond lengths from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Bond_angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Bond_angle_rmsd' _Item.ID 4730 _Item.Name '_Conformer_stat_list_ens.Bond_angle_rmsd' _Item.Description ; Root mean squared deviation of bond angles from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Bond_angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Bond_angle_rmsd_err' _Item.ID 4731 _Item.Name '_Conformer_stat_list_ens.Bond_angle_rmsd_err' _Item.Description ; Estimated error in the rmsd value for bond angles from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Dihedral_angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Dihedral_angle_rmsd' _Item.ID 4732 _Item.Name '_Conformer_stat_list_ens.Dihedral_angle_rmsd' _Item.Description ; Root mean squared deviation of bond angles from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Dihedral_angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Dihedral_angle_rmsd_err' _Item.ID 4733 _Item.Name '_Conformer_stat_list_ens.Dihedral_angle_rmsd_err' _Item.Description ; Estimated error in the rmsd value for bond angles from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Improper_torsion_angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Improper_torsion_angle_rmsd' _Item.ID 4734 _Item.Name '_Conformer_stat_list_ens.Improper_torsion_angle_rmsd' _Item.Description ; Root mean squared deviation of improper angles from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Improper_torsion_angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Improper_torsion_angle_rmsd_err' _Item.ID 4735 _Item.Name '_Conformer_stat_list_ens.Improper_torsion_angle_rmsd_err' _Item.Description ; Estimated error in the rmsd value for improper angles from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Peptide_planarity_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Peptide_planarity_rmsd' _Item.ID 4736 _Item.Name '_Conformer_stat_list_ens.Peptide_planarity_rmsd' _Item.Description ; Root mean squared deviation of peptide planarity from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Peptide_planarity_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Peptide_planarity_rmsd_err' _Item.ID 4737 _Item.Name '_Conformer_stat_list_ens.Peptide_planarity_rmsd_err' _Item.Description ; Estimated error in the rmsd value for peptide planarity from idealized values. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.Atm_coord_avg_rmsd_calc_method _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Atm_coord_avg_rmsd_calc_method' _Item.ID 4738 _Item.Name '_Conformer_stat_list_ens.Atm_coord_avg_rmsd_calc_method' _Item.Description ; Method used to calculate the average root mean squared deviation for the atomic coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.BB_hvy_atm_coord_avg_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.BB_hvy_atm_coord_avg_rmsd' _Item.ID 4739 _Item.Name '_Conformer_stat_list_ens.BB_hvy_atm_coord_avg_rmsd' _Item.Description ; Average root mean squared deviation for the backbone heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.BB_hvy_atm_coord_avg_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.BB_hvy_atm_coord_avg_rmsd_err' _Item.ID 4740 _Item.Name '_Conformer_stat_list_ens.BB_hvy_atm_coord_avg_rmsd_err' _Item.Description ; Estimated error in the average rmsd for the backbone heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.BB_hvy_atm_coord_std_dev _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.BB_hvy_atm_coord_std_dev' _Item.ID 4741 _Item.Name '_Conformer_stat_list_ens.BB_hvy_atm_coord_std_dev' _Item.Description ; Standard deviation for the backbone heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.BB_hvy_atm_coord_std_dev_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.BB_hvy_atm_coord_std_dev_err' _Item.ID 4742 _Item.Name '_Conformer_stat_list_ens.BB_hvy_atm_coord_std_dev_err' _Item.Description ; Estimated error in the standard deviation for the backbone heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.BB_hvy_atm_residues_included _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.BB_hvy_atm_residues_included' _Item.ID 4743 _Item.Name '_Conformer_stat_list_ens.BB_hvy_atm_residues_included' _Item.Description ; Residues included in the calculation of the backbone heavy atom statistics. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_ens.BB_hvy_atm_exclusions _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.BB_hvy_atm_exclusions' _Item.ID 4744 _Item.Name '_Conformer_stat_list_ens.BB_hvy_atm_exclusions' _Item.Description ; List the heavy atoms excluded in calculating the backbone heavy atom coordinate statistics. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_ens.SC_hvy_atm_coord_avg_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.SC_hvy_atm_coord_avg_rmsd' _Item.ID 4745 _Item.Name '_Conformer_stat_list_ens.SC_hvy_atm_coord_avg_rmsd' _Item.Description ; Average root mean squared deviation for the sidechain heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.SC_hvy_atm_coord_avg_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.SC_hvy_atm_coord_avg_rmsd_err' _Item.ID 4746 _Item.Name '_Conformer_stat_list_ens.SC_hvy_atm_coord_avg_rmsd_err' _Item.Description ; Estimated error in the average rmsd for the sidechain heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.SC_hvy_atm_coord_std_dev _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.SC_hvy_atm_coord_std_dev' _Item.ID 4747 _Item.Name '_Conformer_stat_list_ens.SC_hvy_atm_coord_std_dev' _Item.Description ; Standard deviation for the sidechain heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.SC_hvy_atm_coord_std_dev_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.SC_hvy_atm_coord_std_dev_err' _Item.ID 4748 _Item.Name '_Conformer_stat_list_ens.SC_hvy_atm_coord_std_dev_err' _Item.Description ; Estimated error in the standard deviation for the sidechain heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.SC_hvy_atm_residues_included _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.SC_hvy_atm_residues_included' _Item.ID 4749 _Item.Name '_Conformer_stat_list_ens.SC_hvy_atm_residues_included' _Item.Description ; Residues included in the calculation of the sidechain heavy atom statistics. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_ens.SC_hvy_atm_exclusions _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.SC_hvy_atm_exclusions' _Item.ID 4750 _Item.Name '_Conformer_stat_list_ens.SC_hvy_atm_exclusions' _Item.Description ; List the heavy atoms excluded in calculating the sidechain heavy atom coordinate statistics. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_ens.All_hvy_atm_coord_avg_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.All_hvy_atm_coord_avg_rmsd' _Item.ID 4751 _Item.Name '_Conformer_stat_list_ens.All_hvy_atm_coord_avg_rmsd' _Item.Description ; Average root mean squared deviation for all heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.All_hvy_atm_coord_avg_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.All_hvy_atm_coord_avg_rmsd_err' _Item.ID 4752 _Item.Name '_Conformer_stat_list_ens.All_hvy_atm_coord_avg_rmsd_err' _Item.Description ; Estimated error in the average rmsd for all heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.All_hvy_atm_coord_std_dev _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.All_hvy_atm_coord_std_dev' _Item.ID 4753 _Item.Name '_Conformer_stat_list_ens.All_hvy_atm_coord_std_dev' _Item.Description ; Standard deviation for all heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.All_hvy_atm_coord_std_dev_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.All_hvy_atm_coord_std_dev_err' _Item.ID 4754 _Item.Name '_Conformer_stat_list_ens.All_hvy_atm_coord_std_dev_err' _Item.Description ; Estimated error in the standard deviation for all heavy atom coordinates for the ensemble of conformers. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_ens.All_hvy_atm_residues_included _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.All_hvy_atm_residues_included' _Item.ID 4755 _Item.Name '_Conformer_stat_list_ens.All_hvy_atm_residues_included' _Item.Description ; Residues included in the calculation of all heavy atom statistics. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_ens.All_hvy_atm_exclusions _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.All_hvy_atm_exclusions' _Item.ID 4756 _Item.Name '_Conformer_stat_list_ens.All_hvy_atm_exclusions' _Item.Description ; List the heavy atoms excluded in calculating the heavy atom coordinate statistics over 'all' heavy atoms. ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_ens.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Sf_ID' _Item.ID 4757 _Item.Name '_Conformer_stat_list_ens.Sf_ID' _Item.Description ; Pointer to '_Conformer_stat_list.Sf_ID' ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_stat_list_ens.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Entry_ID' _Item.ID 4758 _Item.Name '_Conformer_stat_list_ens.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_stat_list_ens.Conformer_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_ens.Conformer_stat_list_ID' _Item.ID 4759 _Item.Name '_Conformer_stat_list_ens.Conformer_stat_list_ID' _Item.Description ; Pointer to '_Conformer_stat_list.ID' ; _Item.Category_ID 329 _Item.Category_label $Conformer_stat_list_ens _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conformer_stat_list_rep _Category.Sf_category category_description _Category.Sf_framecode Conformer_stat_list_rep _Category.ID 330 _Category.Name 'Conformer_stat_list_rep' _category.Description ; Items in the conformer_stat_list_rep category provide statistical measures describing the characteristics and quality of the representative structure provided in the entry. ; _Category.Loop_code yes _Category.Category_group_ID 80 _Category.Category_group_name conformer_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4794 $_Conformer_stat_list_rep.Entry_ID '_Conformer_stat_list_rep.Entry_ID' 4795 $_Conformer_stat_list_rep.Conformer_stat_list_ID '_Conformer_stat_list_rep.Conformer_stat_list_ID' 330 NMR-STAR stop_ save_ save__Conformer_stat_list_rep.Stats_not_available _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Stats_not_available' _Item.ID 4760 _Item.Name '_Conformer_stat_list_rep.Stats_not_available' _Item.Description ; Depositors are strongly encouraged to enter a few statistical parameters regarding the deposited representative conformer. If these data are not available, please check the box provided. After checking the box and clicking on the 'save' button, the statis ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Conformer_stat_list_rep.Ramachan_most_favored_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Ramachan_most_favored_pct' _Item.ID 4761 _Item.Name '_Conformer_stat_list_rep.Ramachan_most_favored_pct' _Item.Description ; Percent of residues in the most favored region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Ramachan_allowed_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Ramachan_allowed_pct' _Item.ID 4762 _Item.Name '_Conformer_stat_list_rep.Ramachan_allowed_pct' _Item.Description ; Percent of residues in the allowed region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Ramachan_gen_allowed_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Ramachan_gen_allowed_pct' _Item.ID 4763 _Item.Name '_Conformer_stat_list_rep.Ramachan_gen_allowed_pct' _Item.Description ; Percent of residues in the generously allowed region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Ramachan_disallowed_pct _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Ramachan_disallowed_pct' _Item.ID 4764 _Item.Name '_Conformer_stat_list_rep.Ramachan_disallowed_pct' _Item.Description ; Percent of residues in the disallowed region of the Ramachandran plot as defined for proteins. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Total_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Total_E_value' _Item.ID 4765 _Item.Name '_Conformer_stat_list_rep.Total_E_value' _Item.Description ; Total energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Total_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Total_E_value_err' _Item.ID 4766 _Item.Name '_Conformer_stat_list_rep.Total_E_value_err' _Item.Description ; Estimated error in the total energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Bond_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Bond_E_value' _Item.ID 4767 _Item.Name '_Conformer_stat_list_rep.Bond_E_value' _Item.Description ; Bond energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Bond_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Bond_E_value_err' _Item.ID 4768 _Item.Name '_Conformer_stat_list_rep.Bond_E_value_err' _Item.Description ; Estimated error in the bond energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Angle_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Angle_E_value' _Item.ID 4769 _Item.Name '_Conformer_stat_list_rep.Angle_E_value' _Item.Description ; Angle energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Angle_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Angle_E_value_err' _Item.ID 4770 _Item.Name '_Conformer_stat_list_rep.Angle_E_value_err' _Item.Description ; Estimated error in the angle energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Impropers_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Impropers_E_value' _Item.ID 4771 _Item.Name '_Conformer_stat_list_rep.Impropers_E_value' _Item.Description ; Impropers energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Impropers_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Impropers_E_value_err' _Item.ID 4772 _Item.Name '_Conformer_stat_list_rep.Impropers_E_value_err' _Item.Description ; Estimated error in the impropers energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Van_der_Waals_E_val _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Van_der_Waals_E_val' _Item.ID 4773 _Item.Name '_Conformer_stat_list_rep.Van_der_Waals_E_val' _Item.Description ; Van der Waals energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Van_der_Waals_E_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Van_der_Waals_E_val_err' _Item.ID 4774 _Item.Name '_Conformer_stat_list_rep.Van_der_Waals_E_val_err' _Item.Description ; Estimated error in the Van der Waals energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.NOE_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.NOE_E_value' _Item.ID 4775 _Item.Name '_Conformer_stat_list_rep.NOE_E_value' _Item.Description ; NOE energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.NOE_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.NOE_E_value_err' _Item.ID 4776 _Item.Name '_Conformer_stat_list_rep.NOE_E_value_err' _Item.Description ; Estimated error in the NOE energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Torsional_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Torsional_E_value' _Item.ID 4777 _Item.Name '_Conformer_stat_list_rep.Torsional_E_value' _Item.Description ; Torsion angle energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Torsional_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Torsional_E_value_err' _Item.ID 4778 _Item.Name '_Conformer_stat_list_rep.Torsional_E_value_err' _Item.Description ; Estimated error in the torsion angle energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.NCS_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.NCS_E_value' _Item.ID 4779 _Item.Name '_Conformer_stat_list_rep.NCS_E_value' _Item.Description ; Non-crystallographic symmetry energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.NCS_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.NCS_E_value_err' _Item.ID 4780 _Item.Name '_Conformer_stat_list_rep.NCS_E_value_err' _Item.Description ; Estimated error in the non-crystallographic symmetry energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Lennard_Jones_E_value _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Lennard_Jones_E_value' _Item.ID 4781 _Item.Name '_Conformer_stat_list_rep.Lennard_Jones_E_value' _Item.Description ; Leonard-Jones energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Lennard_Jones_E_value_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Lennard_Jones_E_value_err' _Item.ID 4782 _Item.Name '_Conformer_stat_list_rep.Lennard_Jones_E_value_err' _Item.Description ; Estimated error in the Leonard-Jones energy value calculated for the representative conformer. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Bond_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Bond_rmsd' _Item.ID 4783 _Item.Name '_Conformer_stat_list_rep.Bond_rmsd' _Item.Description ; Root mean squared deviation of bond lengths from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Bond_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Bond_rmsd_err' _Item.ID 4784 _Item.Name '_Conformer_stat_list_rep.Bond_rmsd_err' _Item.Description ; Estimated error in the rmsd value for bond lengths from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Angle_rmsd' _Item.ID 4785 _Item.Name '_Conformer_stat_list_rep.Angle_rmsd' _Item.Description ; Root mean squared deviation of bond angles from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Angle_rmsd_err' _Item.ID 4786 _Item.Name '_Conformer_stat_list_rep.Angle_rmsd_err' _Item.Description ; Estimated error in the rmsd value for bond angles from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Improper_torsion_angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Improper_torsion_angle_rmsd' _Item.ID 4787 _Item.Name '_Conformer_stat_list_rep.Improper_torsion_angle_rmsd' _Item.Description ; Root mean squared deviation of improper angles from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Improper_torsion_angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Improper_torsion_angle_rmsd_err' _Item.ID 4788 _Item.Name '_Conformer_stat_list_rep.Improper_torsion_angle_rmsd_err' _Item.Description ; Estimated error in the rmsd value for improper angles from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Peptide_planarity_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Peptide_planarity_rmsd' _Item.ID 4789 _Item.Name '_Conformer_stat_list_rep.Peptide_planarity_rmsd' _Item.Description ; Root mean squared deviation of peptide planarity from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Peptide_planarity_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Peptide_planarity_rmsd_err' _Item.ID 4790 _Item.Name '_Conformer_stat_list_rep.Peptide_planarity_rmsd_err' _Item.Description ; Estimated error in the rmsd value for peptide planarity from idealized values. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Struct_figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Struct_figure_of_merit' _Item.ID 4791 _Item.Name '_Conformer_stat_list_rep.Struct_figure_of_merit' _Item.Description ; A value that provides an estimate of the quality of the reported representative structure. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Conformer_stat_list_rep.Struct_figure_of_merit_func_form _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Struct_figure_of_merit_func_form' _Item.ID 4792 _Item.Name '_Conformer_stat_list_rep.Struct_figure_of_merit_func_form' _Item.Description ; The functional form of the structure figure of merit value. ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_stat_list_rep.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Sf_ID' _Item.ID 4793 _Item.Name '_Conformer_stat_list_rep.Sf_ID' _Item.Description ; Pointer to '_Conformer_stat_list.Sf_ID' ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_stat_list_rep.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Entry_ID' _Item.ID 4794 _Item.Name '_Conformer_stat_list_rep.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_stat_list_rep.Conformer_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_stat_list_rep.Conformer_stat_list_ID' _Item.ID 4795 _Item.Name '_Conformer_stat_list_rep.Conformer_stat_list_ID' _Item.Description ; Pointer to '_Conformer_stat_list.ID' ; _Item.Category_ID 330 _Item.Category_label $Conformer_stat_list_rep _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conf_stats_software _Category.Sf_category category_description _Category.Sf_framecode Conf_stats_software _Category.ID 331 _Category.Name 'Conf_stats_software' _category.Description ; Items in the conf_stats_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 80 _Category.Category_group_name conformer_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4796 $_Conf_stats_software.Software_ID '_Conf_stats_software.Software_ID' 4801 $_Conf_stats_software.Entry_ID '_Conf_stats_software.Entry_ID' 4802 $_Conf_stats_software.Conformer_stat_list_ID '_Conf_stats_software.Conformer_stat_list_ID' 331 NMR-STAR stop_ save_ save__Conf_stats_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Software_ID' _Item.ID 4796 _Item.Name '_Conf_stats_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conf_stats_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Software_label' _Item.ID 4797 _Item.Name '_Conf_stats_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Conf_stats_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Method_ID' _Item.ID 4798 _Item.Name '_Conf_stats_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conf_stats_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Method_label' _Item.ID 4799 _Item.Name '_Conf_stats_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Conf_stats_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Sf_ID' _Item.ID 4800 _Item.Name '_Conf_stats_software.Sf_ID' _Item.Description ; Pointer to '_Conformer_stat_list.Sf_ID' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conf_stats_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Entry_ID' _Item.ID 4801 _Item.Name '_Conf_stats_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conf_stats_software.Conformer_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_stats_software.Conformer_stat_list_ID' _Item.ID 4802 _Item.Name '_Conf_stats_software.Conformer_stat_list_ID' _Item.Description ; Pointer to '_Conformer_stat_list.ID' ; _Item.Category_ID 331 _Item.Category_label $Conf_stats_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conformer_family_coord_set _Category.Sf_category category_description _Category.Sf_framecode Conformer_family_coord_set _Category.ID 332 _Category.Name 'Conformer_family_coord_set' _category.Description ; Items in the conformer_family_coord_set category provide meta data regarding the atomic coordinates for a family of conformers reported in an entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4805 $_Conformer_family_coord_set.Entry_ID '_Conformer_family_coord_set.Entry_ID' 4807 $_Conformer_family_coord_set.ID '_Conformer_family_coord_set.ID' 332 NMR-STAR stop_ save_ save__Conformer_family_coord_set.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Sf_category' _Item.ID 4803 _Item.Name '_Conformer_family_coord_set.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_family_coord_set.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Sf_framecode' _Item.ID 4804 _Item.Name '_Conformer_family_coord_set.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Conformer_family_coord_set.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Entry_ID' _Item.ID 4805 _Item.Name '_Conformer_family_coord_set.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_family_coord_set.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Sf_ID' _Item.ID 4806 _Item.Name '_Conformer_family_coord_set.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Conformer_family_coord_set.ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.ID' _Item.ID 4807 _Item.Name '_Conformer_family_coord_set.ID' _Item.Description ; An integer value that uniquely identifies this save frame of conformer family atomic coordinate set from other save frames of this category in an entry. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Conformer_family_coord_set.Name _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Name' _Item.ID 4808 _Item.Name '_Conformer_family_coord_set.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_family_coord_set.File_name _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.File_name' _Item.ID 4809 _Item.Name '_Conformer_family_coord_set.File_name' _Item.Description ; Name of the file containing the atomic coordinates. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_family_coord_set.Constraints_PDB_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Constraints_PDB_file_ID' _Item.ID 4810 _Item.Name '_Conformer_family_coord_set.Constraints_PDB_file_ID' _Item.Description ; Name of the file containing the constraints used to calculate the conformers. Obsolete tag. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Conformer_family_coord_set.PDB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.PDB_accession_code' _Item.ID 4811 _Item.Name '_Conformer_family_coord_set.PDB_accession_code' _Item.Description ; Accession code for the PDB entry from which the conformer family atomic coordinate set was extracted. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Conformer_family_coord_set.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Sample_condition_list_ID' _Item.ID 4812 _Item.Name '_Conformer_family_coord_set.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_family_coord_set.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Sample_condition_list_label' _Item.ID 4813 _Item.Name '_Conformer_family_coord_set.Sample_condition_list_label' _Item.Description ; Enter the label assigned to a set of sample conditions in the section above. A pull down list of possible sample conditions labels should be available for selection. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Conformer_family_coord_set.Atom_site_uncertainty_desc _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Atom_site_uncertainty_desc' _Item.ID 4814 _Item.Name '_Conformer_family_coord_set.Atom_site_uncertainty_desc' _Item.Description ; A brief description of the method used to derive the reported uncertainties in the atomic coordinates. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Conformer_family_coord_set.Atom_site_ordered_flag_desc _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Atom_site_ordered_flag_desc' _Item.ID 4815 _Item.Name '_Conformer_family_coord_set.Atom_site_ordered_flag_desc' _Item.Description ; A brief description of the method used to derive the reported ordered flag for the atomic coordinates. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Conformer_family_coord_set.Details _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set.Details' _Item.ID 4816 _Item.Name '_Conformer_family_coord_set.Details' _Item.Description ; Additional information describing interesting features of the conformer ensemble and its derivation can be entered in this field. ; _Item.Category_ID 332 _Item.Category_label $Conformer_family_coord_set _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Conformer_family_refinement _Category.Sf_category category_description _Category.Sf_framecode Conformer_family_refinement _Category.ID 333 _Category.Name 'Conformer_family_refinement' _category.Description ; Items in the conformer_family_refinement category define the refinement methods used in calculating the reported family of conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4817 $_Conformer_family_refinement.Refine_method '_Conformer_family_refinement.Refine_method' 4822 $_Conformer_family_refinement.Entry_ID '_Conformer_family_refinement.Entry_ID' 4823 $_Conformer_family_refinement.Conformer_family_coord_set_ID '_Conformer_family_refinement.Conformer_family_coord_set_ID' 333 NMR-STAR stop_ save_ save__Conformer_family_refinement.Refine_method _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Refine_method' _Item.ID 4817 _Item.Name '_Conformer_family_refinement.Refine_method' _Item.Description ; The method used to determine the structure. ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code yes _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Conformer_family_refinement.Refine_method' 'DGSA-distance geometry simulated annealing' ? 4817 333 NMR-STAR '_Conformer_family_refinement.Refine_method' 'distance geometry' ? 4817 333 NMR-STAR '_Conformer_family_refinement.Refine_method' 'simulated annealing' ? 4817 333 NMR-STAR '_Conformer_family_refinement.Refine_method' 'molecular dynamics' ? 4817 333 NMR-STAR '_Conformer_family_refinement.Refine_method' 'matrix relaxation' ? 4817 333 NMR-STAR '_Conformer_family_refinement.Refine_method' 'torsion angle dynamics' ? 4817 333 NMR-STAR '_Conformer_family_refinement.Refine_method' na ? 4817 333 NMR-STAR stop_ save_ save__Conformer_family_refinement.Refine_details _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Refine_details' _Item.ID 4818 _Item.Name '_Conformer_family_refinement.Refine_details' _Item.Description ; Additional comments about the NMR refinement methods can be placed here. ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Conformer_family_refinement.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Software_ID' _Item.ID 4819 _Item.Name '_Conformer_family_refinement.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conformer_family_refinement.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Software_label' _Item.ID 4820 _Item.Name '_Conformer_family_refinement.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Conformer_family_refinement.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Sf_ID' _Item.ID 4821 _Item.Name '_Conformer_family_refinement.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conformer_family_refinement.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Entry_ID' _Item.ID 4822 _Item.Name '_Conformer_family_refinement.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_family_refinement.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_refinement.Conformer_family_coord_set_ID' _Item.ID 4823 _Item.Name '_Conformer_family_refinement.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 333 _Item.Category_label $Conformer_family_refinement _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conformer_family_software _Category.Sf_category category_description _Category.Sf_framecode Conformer_family_software _Category.ID 334 _Category.Name 'Conformer_family_software' _category.Description ; Items in the conformer_family_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4824 $_Conformer_family_software.Software_ID '_Conformer_family_software.Software_ID' 4829 $_Conformer_family_software.Entry_ID '_Conformer_family_software.Entry_ID' 4830 $_Conformer_family_software.Conformer_family_coord_set_ID '_Conformer_family_software.Conformer_family_coord_set_ID' 334 NMR-STAR stop_ save_ save__Conformer_family_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Software_ID' _Item.ID 4824 _Item.Name '_Conformer_family_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_family_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Software_label' _Item.ID 4825 _Item.Name '_Conformer_family_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Conformer_family_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Method_ID' _Item.ID 4826 _Item.Name '_Conformer_family_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conformer_family_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Method_label' _Item.ID 4827 _Item.Name '_Conformer_family_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Conformer_family_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Sf_ID' _Item.ID 4828 _Item.Name '_Conformer_family_software.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_family_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Entry_ID' _Item.ID 4829 _Item.Name '_Conformer_family_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_family_software.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_software.Conformer_family_coord_set_ID' _Item.ID 4830 _Item.Name '_Conformer_family_software.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 334 _Item.Category_label $Conformer_family_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Energetic_penalty_function _Category.Sf_category category_description _Category.Sf_framecode Energetic_penalty_function _Category.ID 335 _Category.Name 'Energetic_penalty_function' _category.Description ; Items in the energetic_penalty_function category provide descriptions for the energy penalty functions used in calculating the reported family of conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4831 $_Energetic_penalty_function.Function '_Energetic_penalty_function.Function' 4834 $_Energetic_penalty_function.Entry_ID '_Energetic_penalty_function.Entry_ID' 4835 $_Energetic_penalty_function.Conformer_family_coord_set_ID '_Energetic_penalty_function.Conformer_family_coord_set_ID' 335 NMR-STAR stop_ save_ save__Energetic_penalty_function.Function _Item.Sf_category item_description _Item.Sf_framecode '_Energetic_penalty_function.Function' _Item.ID 4831 _Item.Name '_Energetic_penalty_function.Function' _Item.Description ; Energy penalty function applied in calculating a family of conformers. ; _Item.Category_ID 335 _Item.Category_label $Energetic_penalty_function _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Energetic_penalty_function.Description _Item.Sf_category item_description _Item.Sf_framecode '_Energetic_penalty_function.Description' _Item.ID 4832 _Item.Name '_Energetic_penalty_function.Description' _Item.Description ; Text providing additional infromation about the energy penalty function. ; _Item.Category_ID 335 _Item.Category_label $Energetic_penalty_function _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Energetic_penalty_function.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Energetic_penalty_function.Sf_ID' _Item.ID 4833 _Item.Name '_Energetic_penalty_function.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 335 _Item.Category_label $Energetic_penalty_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Energetic_penalty_function.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Energetic_penalty_function.Entry_ID' _Item.ID 4834 _Item.Name '_Energetic_penalty_function.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 335 _Item.Category_label $Energetic_penalty_function _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Energetic_penalty_function.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Energetic_penalty_function.Conformer_family_coord_set_ID' _Item.ID 4835 _Item.Name '_Energetic_penalty_function.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 335 _Item.Category_label $Energetic_penalty_function _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conformer_family_coord_set_expt _Category.Sf_category category_description _Category.Sf_framecode Conformer_family_coord_set_expt _Category.ID 336 _Category.Name 'Conformer_family_coord_set_expt' _category.Description ; Items in the conformer_family_coord_set_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of molecular conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4836 $_Conformer_family_coord_set_expt.Experiment_ID '_Conformer_family_coord_set_expt.Experiment_ID' 4842 $_Conformer_family_coord_set_expt.Entry_ID '_Conformer_family_coord_set_expt.Entry_ID' 4843 $_Conformer_family_coord_set_expt.Conformer_family_coord_set_ID '_Conformer_family_coord_set_expt.Conformer_family_coord_set_ID' 336 NMR-STAR stop_ save_ save__Conformer_family_coord_set_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Experiment_ID' _Item.ID 4836 _Item.Name '_Conformer_family_coord_set_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_family_coord_set_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Experiment_name' _Item.ID 4837 _Item.Name '_Conformer_family_coord_set_expt.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Conformer_family_coord_set_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Sample_ID' _Item.ID 4838 _Item.Name '_Conformer_family_coord_set_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Conformer_family_coord_set_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Sample_label' _Item.ID 4839 _Item.Name '_Conformer_family_coord_set_expt.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Conformer_family_coord_set_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Sample_state' _Item.ID 4840 _Item.Name '_Conformer_family_coord_set_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Conformer_family_coord_set_expt.Sample_state' isotropic ? 4840 336 NMR-STAR '_Conformer_family_coord_set_expt.Sample_state' anisotropic ? 4840 336 NMR-STAR '_Conformer_family_coord_set_expt.Sample_state' solid ? 4840 336 NMR-STAR stop_ save_ save__Conformer_family_coord_set_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Sf_ID' _Item.ID 4841 _Item.Name '_Conformer_family_coord_set_expt.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conformer_family_coord_set_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Entry_ID' _Item.ID 4842 _Item.Name '_Conformer_family_coord_set_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conformer_family_coord_set_expt.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conformer_family_coord_set_expt.Conformer_family_coord_set_ID' _Item.ID 4843 _Item.Name '_Conformer_family_coord_set_expt.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 336 _Item.Category_label $Conformer_family_coord_set_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Conf_family_coord_set_constr_list _Category.Sf_category category_description _Category.Sf_framecode Conf_family_coord_set_constr_list _Category.ID 337 _Category.Name 'Conf_family_coord_set_constr_list' _category.Description ; Items in the conf_family_coord_set_constr_list category provide pointers to the sets of constraints that were used to calculate the reported family of conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4844 $_Conf_family_coord_set_constr_list.Constraint_list_category '_Conf_family_coord_set_constr_list.Constraint_list_category' 4845 $_Conf_family_coord_set_constr_list.Constraint_list_ID '_Conf_family_coord_set_constr_list.Constraint_list_ID' 4848 $_Conf_family_coord_set_constr_list.Entry_ID '_Conf_family_coord_set_constr_list.Entry_ID' 4849 $_Conf_family_coord_set_constr_list.Conformer_family_coord_set_ID '_Conf_family_coord_set_constr_list.Conformer_family_coord_set_ID' 337 NMR-STAR stop_ save_ save__Conf_family_coord_set_constr_list.Constraint_list_category _Item.Sf_category item_description _Item.Sf_framecode '_Conf_family_coord_set_constr_list.Constraint_list_category' _Item.ID 4844 _Item.Name '_Conf_family_coord_set_constr_list.Constraint_list_category' _Item.Description ; Save frame category for the type of constraints used to calculate the structure. ; _Item.Category_ID 337 _Item.Category_label $Conf_family_coord_set_constr_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Conf_family_coord_set_constr_list.Constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_family_coord_set_constr_list.Constraint_list_ID' _Item.ID 4845 _Item.Name '_Conf_family_coord_set_constr_list.Constraint_list_ID' _Item.Description ; Pointer to the ID for the save frame of the category defined by the tag '_Conf_family_coord_set_constr_list.Constraint_list_category'. ; _Item.Category_ID 337 _Item.Category_label $Conf_family_coord_set_constr_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conf_family_coord_set_constr_list.Constraint_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Conf_family_coord_set_constr_list.Constraint_list_label' _Item.ID 4846 _Item.Name '_Conf_family_coord_set_constr_list.Constraint_list_label' _Item.Description ; Pointer to a save frame that contains structural constraint values. ; _Item.Category_ID 337 _Item.Category_label $Conf_family_coord_set_constr_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Conf_family_coord_set_constr_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_family_coord_set_constr_list.Sf_ID' _Item.ID 4847 _Item.Name '_Conf_family_coord_set_constr_list.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 337 _Item.Category_label $Conf_family_coord_set_constr_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Conf_family_coord_set_constr_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_family_coord_set_constr_list.Entry_ID' _Item.ID 4848 _Item.Name '_Conf_family_coord_set_constr_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 337 _Item.Category_label $Conf_family_coord_set_constr_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Conf_family_coord_set_constr_list.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Conf_family_coord_set_constr_list.Conformer_family_coord_set_ID' _Item.ID 4849 _Item.Name '_Conf_family_coord_set_constr_list.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 337 _Item.Category_label $Conf_family_coord_set_constr_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Struct_image _Category.Sf_category category_description _Category.Sf_framecode Struct_image _Category.ID 338 _Category.Name 'Struct_image' _category.Description ; Items in the struct_image category define the name of an electronic file and its format that contains an image of the structure(s) reported. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4850 $_Struct_image.File_name '_Struct_image.File_name' 4854 $_Struct_image.Entry_ID '_Struct_image.Entry_ID' 4855 $_Struct_image.Conformer_family_coord_set_ID '_Struct_image.Conformer_family_coord_set_ID' 338 NMR-STAR stop_ save_ save__Struct_image.File_name _Item.Sf_category item_description _Item.Sf_framecode '_Struct_image.File_name' _Item.ID 4850 _Item.Name '_Struct_image.File_name' _Item.Description ; Name of the file containing the image of the structure. ; _Item.Category_ID 338 _Item.Category_label $Struct_image _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Struct_image.File_format _Item.Sf_category item_description _Item.Sf_framecode '_Struct_image.File_format' _Item.ID 4851 _Item.Name '_Struct_image.File_format' _Item.Description ; File format for the file containing the image of the structure. ; _Item.Category_ID 338 _Item.Category_label $Struct_image _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Struct_image.Details _Item.Sf_category item_description _Item.Sf_framecode '_Struct_image.Details' _Item.ID 4852 _Item.Name '_Struct_image.Details' _Item.Description ; Text providing additional information about the image of the structure. ; _Item.Category_ID 338 _Item.Category_label $Struct_image _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Struct_image.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_image.Sf_ID' _Item.ID 4853 _Item.Name '_Struct_image.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 338 _Item.Category_label $Struct_image _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_image.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_image.Entry_ID' _Item.ID 4854 _Item.Name '_Struct_image.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 338 _Item.Category_label $Struct_image _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Struct_image.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_image.Conformer_family_coord_set_ID' _Item.ID 4855 _Item.Name '_Struct_image.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 338 _Item.Category_label $Struct_image _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Local_structure_quality _Category.Sf_category category_description _Category.Sf_framecode Local_structure_quality _Category.ID 339 _Category.Name 'Local_structure_quality' _category.Description ; Items in the local_structure_quality category define regions of a reported structure that are well defined by the experimental data and those that may ill-defined. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4856 $_Local_structure_quality.ID '_Local_structure_quality.ID' 4865 $_Local_structure_quality.Entry_ID '_Local_structure_quality.Entry_ID' 4866 $_Local_structure_quality.Conformer_family_coord_set_ID '_Local_structure_quality.Conformer_family_coord_set_ID' 339 NMR-STAR stop_ save_ save__Local_structure_quality.ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.ID' _Item.ID 4856 _Item.Name '_Local_structure_quality.ID' _Item.Description ; A numeric identifier for the segment of a molecule for which a quality value is reported. ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Local_structure_quality.Type _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Type' _Item.ID 4857 _Item.Name '_Local_structure_quality.Type' _Item.Description ; A descriptive phrase that indicates the quality of the structural conformations reported for the defined segment of the biopolymer. ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Local_structure_quality.Type' 'not observed' ? 4857 339 NMR-STAR '_Local_structure_quality.Type' 'not well defined' ? 4857 339 NMR-STAR '_Local_structure_quality.Type' 'low restraint density' ? 4857 339 NMR-STAR '_Local_structure_quality.Type' 'well defined' ? 4857 339 NMR-STAR '_Local_structure_quality.Type' 'high restraint density' ? 4857 339 NMR-STAR stop_ save_ save__Local_structure_quality.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Entity_assembly_ID' _Item.ID 4858 _Item.Name '_Local_structure_quality.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Local_structure_quality.Asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Asym_ID' _Item.ID 4859 _Item.Name '_Local_structure_quality.Asym_ID' _Item.Description ; Pointer to '_Struct_asym.ID' ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Local_structure_quality.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Entity_ID' _Item.ID 4860 _Item.Name '_Local_structure_quality.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Local_structure_quality.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Entity_label' _Item.ID 4861 _Item.Name '_Local_structure_quality.Entity_label' _Item.Description ; The name assigned to the molecular entity where the defined segment is located. ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Local_structure_quality.Comp_index_ID_begin _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Comp_index_ID_begin' _Item.ID 4862 _Item.Name '_Local_structure_quality.Comp_index_ID_begin' _Item.Description ; Pointer to '_Entity_comp_index.ID' The starting sequence position in the molecular entity for the segment being described. ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Local_structure_quality.Comp_index_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Comp_index_ID_end' _Item.ID 4863 _Item.Name '_Local_structure_quality.Comp_index_ID_end' _Item.Description ; Pointer to '_Entity_comp_index.ID' The ending sequence position in the molecular entity for the segment being described. ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Local_structure_quality.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Sf_ID' _Item.ID 4864 _Item.Name '_Local_structure_quality.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Local_structure_quality.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Entry_ID' _Item.ID 4865 _Item.Name '_Local_structure_quality.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Local_structure_quality.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Local_structure_quality.Conformer_family_coord_set_ID' _Item.ID 4866 _Item.Name '_Local_structure_quality.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 339 _Item.Category_label $Local_structure_quality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Model_type _Category.Sf_category category_description _Category.Sf_framecode Model_type _Category.ID 340 _Category.Name 'Model_type' _category.Description ; Items in the model_type category define the characteristic of a specific model relative to other models in a set of models in the entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4867 $_Model_type.Atom_site_model_ID '_Model_type.Atom_site_model_ID' 4868 $_Model_type.Type '_Model_type.Type' 340 NMR-STAR stop_ save_ save__Model_type.Atom_site_model_ID _Item.Sf_category item_description _Item.Sf_framecode '_Model_type.Atom_site_model_ID' _Item.ID 4867 _Item.Name '_Model_type.Atom_site_model_ID' _Item.Description ; Pointer to '_Atom_site.Model_ID' The identifier for the model in the set of reported structural models. This data item is a pointer to the '_Atom.site_Model_ID' in the Atom_site category. ; _Item.Category_ID 340 _Item.Category_label $Model_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Model_type.Type _Item.Sf_category item_description _Item.Sf_framecode '_Model_type.Type' _Item.ID 4868 _Item.Name '_Model_type.Type' _Item.Description ; A brief phrase that describes an atomic coordinate model that is a member of the set of models reported in the Atom_site category. ; _Item.Category_ID 340 _Item.Category_label $Model_type _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Model_type.Type' 'experimental ensemble member' ? 4868 340 NMR-STAR '_Model_type.Type' 'representative lowest energy' ? 4868 340 NMR-STAR '_Model_type.Type' 'representative closest to the mean' ? 4868 340 NMR-STAR '_Model_type.Type' 'representative average minimized' ? 4868 340 NMR-STAR '_Model_type.Type' 'representative lowest overall target function' ? 4868 340 NMR-STAR stop_ save_ save__Model_type.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Model_type.Sf_ID' _Item.ID 4869 _Item.Name '_Model_type.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 340 _Item.Category_label $Model_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Model_type.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Model_type.Entry_ID' _Item.ID 4870 _Item.Name '_Model_type.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 340 _Item.Category_label $Model_type _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Model_type.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Model_type.Conformer_family_coord_set_ID' _Item.ID 4871 _Item.Name '_Model_type.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 340 _Item.Category_label $Model_type _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Atom_site _Category.Sf_category category_description _Category.Sf_framecode Atom_site _Category.ID 341 _Category.Name 'Atom_site' _category.Description ; Data items in the atom_site category record details about the atom sites in a macromolecular structure, such as the positional coordinates, atomic displacement parameters, magnetic moments and directions. ; _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4875 $_Atom_site.ID '_Atom_site.ID' 4918 $_Atom_site.Entry_ID '_Atom_site.Entry_ID' 4919 $_Atom_site.Conformer_family_coord_set_ID '_Atom_site.Conformer_family_coord_set_ID' 341 NMR-STAR stop_ save_ save__Atom_site.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Assembly_ID' _Item.ID 4872 _Item.Name '_Atom_site.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.Model_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Model_ID' _Item.ID 4873 _Item.Name '_Atom_site.Model_ID' _Item.Description ; An integer value that uniquely defines the set of coordinates that represent one model for the molecular assembly. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom_site.Model_site_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Model_site_ID' _Item.ID 4874 _Item.Name '_Atom_site.Model_site_ID' _Item.Description ; The Model_site_ID item is an integer value that for each model in the table has an initial value of 1 and increments in consecutive integer values for each set of atomic coordinates reported in the model. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.ID' _Item.ID 4875 _Item.Name '_Atom_site.ID' _Item.Description ; The value of '_Atom_site.ID' must uniquely identify a record in the atom_site list. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom_site.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Assembly_atom_ID' _Item.ID 4876 _Item.Name '_Atom_site.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.Label_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Label_entity_assembly_ID' _Item.ID 4877 _Item.Name '_Atom_site.Label_entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_site.Label_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Label_entity_ID' _Item.ID 4878 _Item.Name '_Atom_site.Label_entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_site.Label_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Label_comp_index_ID' _Item.ID 4879 _Item.Name '_Atom_site.Label_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_site.Label_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Label_comp_ID' _Item.ID 4880 _Item.Name '_Atom_site.Label_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_site.Label_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Label_atom_ID' _Item.ID 4881 _Item.Name '_Atom_site.Label_atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Atom_site.Type_symbol _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Type_symbol' _Item.ID 4882 _Item.Name '_Atom_site.Type_symbol' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_site.Cartn_x _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Cartn_x' _Item.ID 4883 _Item.Name '_Atom_site.Cartn_x' _Item.Description ; The x atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Atom_site.Cartn_y _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Cartn_y' _Item.ID 4884 _Item.Name '_Atom_site.Cartn_y' _Item.Description ; The y atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Atom_site.Cartn_z _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Cartn_z' _Item.ID 4885 _Item.Name '_Atom_site.Cartn_z' _Item.Description ; The z atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Atom_site.Cartn_x_esd _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Cartn_x_esd' _Item.ID 4886 _Item.Name '_Atom_site.Cartn_x_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_x'. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_site.Cartn_y_esd _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Cartn_y_esd' _Item.ID 4887 _Item.Name '_Atom_site.Cartn_y_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_y'. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_site.Cartn_z_esd _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Cartn_z_esd' _Item.ID 4888 _Item.Name '_Atom_site.Cartn_z_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Atom_site.Cartn_z'. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_site.Occupancy _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Occupancy' _Item.ID 4889 _Item.Name '_Atom_site.Occupancy' _Item.Description ; The percent occupancy of the atom at the atom site defined by the listed coordinates. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_site.Occupancy_esd _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Occupancy_esd' _Item.ID 4890 _Item.Name '_Atom_site.Occupancy_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Atom_site.Occupancy'. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_site.Uncertainty _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Uncertainty' _Item.ID 4891 _Item.Name '_Atom_site.Uncertainty' _Item.Description ; A value indicating the confidence in the assigned coordinate values for this atom. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Atom_site.Ordered_flag _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Ordered_flag' _Item.ID 4892 _Item.Name '_Atom_site.Ordered_flag' _Item.Description ; A value indicating whether the atom at this site is considered in an ordered conformation (1) or is in a disordered conformation (0) in the structure. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Atom_site.Ordered_flag' 1 'Flag indicating that the atom is in an ordered region of the structure.' 4892 341 NMR-STAR '_Atom_site.Ordered_flag' 0 'Flag indicating that the atom is in a poorly ordered region of the structure.' 4892 341 NMR-STAR stop_ save_ save__Atom_site.Footnote_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Footnote_ID' _Item.ID 4893 _Item.Name '_Atom_site.Footnote_ID' _Item.Description ; The value of '_Atom_site.Footnote_ID must match an ID specified by '_Atom_sites_footnote.ID'. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.PDBX_label_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDBX_label_asym_ID' _Item.ID 4894 _Item.Name '_Atom_site.PDBX_label_asym_ID' _Item.Description ; Pointer to '_Struct_asym.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDBX_label_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDBX_label_seq_ID' _Item.ID 4895 _Item.Name '_Atom_site.PDBX_label_seq_ID' _Item.Description ; Residue sequence number assigned by the PDB and extracted from the PDB entry. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.PDBX_label_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDBX_label_comp_ID' _Item.ID 4896 _Item.Name '_Atom_site.PDBX_label_comp_ID' _Item.Description ; Chemical component identifier assigned by the PDB and extracted from the PDB entry. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_site.PDBX_label_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDBX_label_atom_ID' _Item.ID 4897 _Item.Name '_Atom_site.PDBX_label_atom_ID' _Item.Description ; Atom identifier assigned by the PDB and extracted from the PDB entry. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Atom_site.PDBX_formal_charge _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDBX_formal_charge' _Item.ID 4898 _Item.Name '_Atom_site.PDBX_formal_charge' _Item.Description ; The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.PDBX_label_entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDBX_label_entity_ID' _Item.ID 4899 _Item.Name '_Atom_site.PDBX_label_entity_ID' _Item.Description ; This data item is provided as a place holder for the label_entity_ID value extracted from a pdbx file. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDB_record_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_record_ID' _Item.ID 4900 _Item.Name '_Atom_site.PDB_record_ID' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDB_model_num _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_model_num' _Item.ID 4901 _Item.Name '_Atom_site.PDB_model_num' _Item.Description ; PDB model number. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.PDB_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_strand_ID' _Item.ID 4902 _Item.Name '_Atom_site.PDB_strand_ID' _Item.Description ; PDB strand id. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDB_ins_code _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_ins_code' _Item.ID 4903 _Item.Name '_Atom_site.PDB_ins_code' _Item.Description ; PDB insertion code. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDB_residue_no _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_residue_no' _Item.ID 4904 _Item.Name '_Atom_site.PDB_residue_no' _Item.Description ; PDB residue number. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDB_residue_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_residue_name' _Item.ID 4905 _Item.Name '_Atom_site.PDB_residue_name' _Item.Description ; PDB residue name. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.PDB_atom_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.PDB_atom_name' _Item.ID 4906 _Item.Name '_Atom_site.PDB_atom_name' _Item.Description ; PDB atom name. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_entity_assembly_ID' _Item.ID 4907 _Item.Name '_Atom_site.Auth_entity_assembly_ID' _Item.Description ; Author assigned entity assembly ID. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Atom_site.Auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_asym_ID' _Item.ID 4908 _Item.Name '_Atom_site.Auth_asym_ID' _Item.Description ; Author assigned asymmetric ID. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.Auth_chain_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_chain_ID' _Item.ID 4909 _Item.Name '_Atom_site.Auth_chain_ID' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_seq_ID' _Item.ID 4910 _Item.Name '_Atom_site.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom_site.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_comp_ID' _Item.ID 4911 _Item.Name '_Atom_site.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Atom_site.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_atom_ID' _Item.ID 4912 _Item.Name '_Atom_site.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.Auth_alt_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_alt_ID' _Item.ID 4913 _Item.Name '_Atom_site.Auth_alt_ID' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Atom_site.Auth_atom_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Auth_atom_name' _Item.ID 4914 _Item.Name '_Atom_site.Auth_atom_name' _Item.Description ; Author's atom name. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Atom_site.Ambiguous_atom_name _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Ambiguous_atom_name' _Item.ID 4915 _Item.Name '_Atom_site.Ambiguous_atom_name' _Item.Description ; A field used to map IUPAC atom nomenclature used in structure to ambiguous atom names used in restraints for calculating the structure. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Atom_site.Details _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Details' _Item.ID 4916 _Item.Name '_Atom_site.Details' _Item.Description ; Text providing additional information about the atom site. ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Atom_site.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Sf_ID' _Item.ID 4917 _Item.Name '_Atom_site.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_site.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Entry_ID' _Item.ID 4918 _Item.Name '_Atom_site.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_site.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_site.Conformer_family_coord_set_ID' _Item.ID 4919 _Item.Name '_Atom_site.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 341 _Item.Category_label $Atom_site _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Atom_sites_footnote _Category.Sf_category category_description _Category.Sf_framecode Atom_sites_footnote _Category.ID 342 _Category.Name 'Atom_sites_footnote' _category.Description ; Data items in the atom_sites_footnote category record detailed comments about an atom site or a group of atom sites. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 83 _Category.Category_group_name conformer_family_coord_set _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4920 $_Atom_sites_footnote.Footnote_ID '_Atom_sites_footnote.Footnote_ID' 4923 $_Atom_sites_footnote.Entry_ID '_Atom_sites_footnote.Entry_ID' 4924 $_Atom_sites_footnote.Conformer_family_coord_set_ID '_Atom_sites_footnote.Conformer_family_coord_set_ID' 342 NMR-STAR stop_ save_ save__Atom_sites_footnote.Footnote_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_sites_footnote.Footnote_ID' _Item.ID 4920 _Item.Name '_Atom_sites_footnote.Footnote_ID' _Item.Description ; Unique identifier for the reported footnote. ; _Item.Category_ID 342 _Item.Category_label $Atom_sites_footnote _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_sites_footnote.Text _Item.Sf_category item_description _Item.Sf_framecode '_Atom_sites_footnote.Text' _Item.ID 4921 _Item.Name '_Atom_sites_footnote.Text' _Item.Description ; The text of the footnote. Footnotes are used to describe an atom site or a group of atom sites in the atom_site list. ; _Item.Category_ID 342 _Item.Category_label $Atom_sites_footnote _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Atom_sites_footnote.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_sites_footnote.Sf_ID' _Item.ID 4922 _Item.Name '_Atom_sites_footnote.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 342 _Item.Category_label $Atom_sites_footnote _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Atom_sites_footnote.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_sites_footnote.Entry_ID' _Item.ID 4923 _Item.Name '_Atom_sites_footnote.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 342 _Item.Category_label $Atom_sites_footnote _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Atom_sites_footnote.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Atom_sites_footnote.Conformer_family_coord_set_ID' _Item.ID 4924 _Item.Name '_Atom_sites_footnote.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 342 _Item.Category_label $Atom_sites_footnote _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Representative_conformer _Category.Sf_category category_description _Category.Sf_framecode Representative_conformer _Category.ID 343 _Category.Name 'Representative_conformer' _category.Description ; Items in the representative_conformer category provide meta data regarding the representative conformer atomic coordinates. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 82 _Category.Category_group_name representative_conformer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4927 $_Representative_conformer.Entry_ID '_Representative_conformer.Entry_ID' 4929 $_Representative_conformer.ID '_Representative_conformer.ID' 343 NMR-STAR stop_ save_ save__Representative_conformer.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Sf_category' _Item.ID 4925 _Item.Name '_Representative_conformer.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Representative_conformer.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Sf_framecode' _Item.ID 4926 _Item.Name '_Representative_conformer.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Representative_conformer.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Entry_ID' _Item.ID 4927 _Item.Name '_Representative_conformer.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Representative_conformer.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Sf_ID' _Item.ID 4928 _Item.Name '_Representative_conformer.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Representative_conformer.ID _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.ID' _Item.ID 4929 _Item.Name '_Representative_conformer.ID' _Item.Description ; Unique identifier for the reported representative conformer. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Representative_conformer.Name _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Name' _Item.ID 4930 _Item.Name '_Representative_conformer.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Representative_conformer.Details _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Details' _Item.ID 4931 _Item.Name '_Representative_conformer.Details' _Item.Description ; Text providing additional information regarding the reported representative conformer. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Representative_conformer.Type _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Type' _Item.ID 4932 _Item.Name '_Representative_conformer.Type' _Item.Description ; The type of representative conformer defined by the listed coordinates. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Representative_conformer.Type' experimental ? 4932 343 NMR-STAR '_Representative_conformer.Type' 'derived experimentally' ? 4932 343 NMR-STAR '_Representative_conformer.Type' theoretical ? 4932 343 NMR-STAR stop_ save_ save__Representative_conformer.Rep_conformer_derivation _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Rep_conformer_derivation' _Item.ID 4933 _Item.Name '_Representative_conformer.Rep_conformer_derivation' _Item.Description ; Method used to derive the representative conformer from a family of conformers. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Representative_conformer.Atom_pos_uncertainty_derivation _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Atom_pos_uncertainty_derivation' _Item.ID 4934 _Item.Name '_Representative_conformer.Atom_pos_uncertainty_derivation' _Item.Description ; Provide a brief but complete description of the method used to calculate the reported uncertainty in the individual atom coordinates. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Representative_conformer.Rep_conformer_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Rep_conformer_file_name' _Item.ID 4935 _Item.Name '_Representative_conformer.Rep_conformer_file_name' _Item.Description ; Name of the file containing the atomic coordinates for the representative conformer. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Representative_conformer.Rep_conformer_original_file _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Rep_conformer_original_file' _Item.ID 4936 _Item.Name '_Representative_conformer.Rep_conformer_original_file' _Item.Description ; Name of the original file that contained the atomic coordinates for the representative conformer. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Representative_conformer.PDB_accession_code _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.PDB_accession_code' _Item.ID 4937 _Item.Name '_Representative_conformer.PDB_accession_code' _Item.Description ; Accession code for the PDB entry from which the representative conformer coordinates were extracted. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Representative_conformer.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Conformer_family_coord_set_ID' _Item.ID 4938 _Item.Name '_Representative_conformer.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Representative_conformer.Conformer_family_coord_set_label _Item.Sf_category item_description _Item.Sf_framecode '_Representative_conformer.Conformer_family_coord_set_label' _Item.ID 4939 _Item.Name '_Representative_conformer.Conformer_family_coord_set_label' _Item.Description ; Pointer to a save frame of the type conformer_family_coord_set. ; _Item.Category_ID 343 _Item.Category_label $Representative_conformer _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save_Rep_conf_refinement _Category.Sf_category category_description _Category.Sf_framecode Rep_conf_refinement _Category.ID 344 _Category.Name 'Rep_conf_refinement' _category.Description ; Items in the rep_conf_refinement category describe the refinement methods used in calculating the atomic coordinates for the reported representative conformer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 82 _Category.Category_group_name representative_conformer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4940 $_Rep_conf_refinement.Refine_method '_Rep_conf_refinement.Refine_method' 4943 $_Rep_conf_refinement.Entry_ID '_Rep_conf_refinement.Entry_ID' 4944 $_Rep_conf_refinement.Representative_conformer_ID '_Rep_conf_refinement.Representative_conformer_ID' 344 NMR-STAR stop_ save_ save__Rep_conf_refinement.Refine_method _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_refinement.Refine_method' _Item.ID 4940 _Item.Name '_Rep_conf_refinement.Refine_method' _Item.Description ; The method used to determine the structure. ; _Item.Category_ID 344 _Item.Category_label $Rep_conf_refinement _Item.Mandatory_code yes _Item.Type_code 'text' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Rep_conf_refinement.Refine_method' 'distance geometry' ? 4940 344 NMR-STAR '_Rep_conf_refinement.Refine_method' 'DGSA-distance geometry simulated annealing' ? 4940 344 NMR-STAR '_Rep_conf_refinement.Refine_method' 'simulated annealing' ? 4940 344 NMR-STAR '_Rep_conf_refinement.Refine_method' 'molecular dynamics' ? 4940 344 NMR-STAR '_Rep_conf_refinement.Refine_method' 'matrix relaxation' ? 4940 344 NMR-STAR '_Rep_conf_refinement.Refine_method' 'torsion angle dynamics' ? 4940 344 NMR-STAR '_Rep_conf_refinement.Refine_method' na ? 4940 344 NMR-STAR stop_ save_ save__Rep_conf_refinement.Refine_details _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_refinement.Refine_details' _Item.ID 4941 _Item.Name '_Rep_conf_refinement.Refine_details' _Item.Description ; Additional comments about the NMR refinement methods can be placed here. ; _Item.Category_ID 344 _Item.Category_label $Rep_conf_refinement _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Rep_conf_refinement.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_refinement.Sf_ID' _Item.ID 4942 _Item.Name '_Rep_conf_refinement.Sf_ID' _Item.Description ; Pointer to '_Representative_conformer.Sf_ID' ; _Item.Category_ID 344 _Item.Category_label $Rep_conf_refinement _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf_refinement.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_refinement.Entry_ID' _Item.ID 4943 _Item.Name '_Rep_conf_refinement.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 344 _Item.Category_label $Rep_conf_refinement _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Rep_conf_refinement.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_refinement.Representative_conformer_ID' _Item.ID 4944 _Item.Name '_Rep_conf_refinement.Representative_conformer_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 344 _Item.Category_label $Rep_conf_refinement _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Rep_conf_software _Category.Sf_category category_description _Category.Sf_framecode Rep_conf_software _Category.ID 345 _Category.Name 'Rep_conf_software' _category.Description ; Items in the rep_conf_software category provide links to the software used to create or define the representative conformer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 82 _Category.Category_group_name representative_conformer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4945 $_Rep_conf_software.Software_ID '_Rep_conf_software.Software_ID' 4950 $_Rep_conf_software.Entry_ID '_Rep_conf_software.Entry_ID' 4951 $_Rep_conf_software.Representative_conformer_ID '_Rep_conf_software.Representative_conformer_ID' 345 NMR-STAR stop_ save_ save__Rep_conf_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Software_ID' _Item.ID 4945 _Item.Name '_Rep_conf_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Software_label' _Item.ID 4946 _Item.Name '_Rep_conf_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Rep_conf_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Method_ID' _Item.ID 4947 _Item.Name '_Rep_conf_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Rep_conf_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Method_label' _Item.ID 4948 _Item.Name '_Rep_conf_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Rep_conf_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Sf_ID' _Item.ID 4949 _Item.Name '_Rep_conf_software.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Entry_ID' _Item.ID 4950 _Item.Name '_Rep_conf_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Rep_conf_software.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf_software.Representative_conformer_ID' _Item.ID 4951 _Item.Name '_Rep_conf_software.Representative_conformer_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 345 _Item.Category_label $Rep_conf_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Terminal_residue _Category.Sf_category category_description _Category.Sf_framecode Terminal_residue _Category.ID 346 _Category.Name 'Terminal_residue' _category.Description ; Items in the terminal_residue category define the terminal residue for each molecular entity in the representative conformer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 82 _Category.Category_group_name representative_conformer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4952 $_Terminal_residue.Entity_ID '_Terminal_residue.Entity_ID' 4953 $_Terminal_residue.Comp_index_ID '_Terminal_residue.Comp_index_ID' 4959 $_Terminal_residue.Entry_ID '_Terminal_residue.Entry_ID' 4960 $_Terminal_residue.Representative_conformer_ID '_Terminal_residue.Representative_conformer_ID' 346 NMR-STAR stop_ save_ save__Terminal_residue.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Entity_ID' _Item.ID 4952 _Item.Name '_Terminal_residue.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Terminal_residue.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Comp_index_ID' _Item.ID 4953 _Item.Name '_Terminal_residue.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Terminal_residue.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Seq_ID' _Item.ID 4954 _Item.Name '_Terminal_residue.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Terminal_residue.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Comp_ID' _Item.ID 4955 _Item.Name '_Terminal_residue.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Terminal_residue.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Auth_seq_ID' _Item.ID 4956 _Item.Name '_Terminal_residue.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Terminal_residue.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Auth_comp_ID' _Item.ID 4957 _Item.Name '_Terminal_residue.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Terminal_residue.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Sf_ID' _Item.ID 4958 _Item.Name '_Terminal_residue.Sf_ID' _Item.Description ; Pointer to '_Representative_conformer.Sf_ID' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Terminal_residue.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Entry_ID' _Item.ID 4959 _Item.Name '_Terminal_residue.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Terminal_residue.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Terminal_residue.Representative_conformer_ID' _Item.ID 4960 _Item.Name '_Terminal_residue.Representative_conformer_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 346 _Item.Category_label $Terminal_residue _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Rep_conf _Category.Sf_category category_description _Category.Sf_framecode Rep_conf _Category.ID 347 _Category.Name 'Rep_conf' _category.Description ; Items in the rep_conf category provide the atomic coordinates for the reported representative conformer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 82 _Category.Category_group_name representative_conformer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4961 $_Rep_conf.Atom_coordinate_ID '_Rep_conf.Atom_coordinate_ID' 4985 $_Rep_conf.Entry_ID '_Rep_conf.Entry_ID' 4986 $_Rep_conf.Representative_conformer_ID '_Rep_conf.Representative_conformer_ID' 347 NMR-STAR stop_ save_ save__Rep_conf.Atom_coordinate_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_coordinate_ID' _Item.ID 4961 _Item.Name '_Rep_conf.Atom_coordinate_ID' _Item.Description ; An intervalue that uniquely identifies the listed set of x, y, z atomic coordinates. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Assembly_atom_ID' _Item.ID 4962 _Item.Name '_Rep_conf.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Rep_conf.Atom_site_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_site_ID' _Item.ID 4963 _Item.Name '_Rep_conf.Atom_site_ID' _Item.Description ; Pointer to '_Atom_site.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Entity_assembly_ID' _Item.ID 4964 _Item.Name '_Rep_conf.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Entity_ID' _Item.ID 4965 _Item.Name '_Rep_conf.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Comp_index_ID' _Item.ID 4966 _Item.Name '_Rep_conf.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Comp_ID' _Item.ID 4967 _Item.Name '_Rep_conf.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Rep_conf.Chem_comp_PDB_ID_code _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Chem_comp_PDB_ID_code' _Item.ID 4968 _Item.Name '_Rep_conf.Chem_comp_PDB_ID_code' _Item.Description ; Code assigned by the PDB to the chemical component. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Rep_conf.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Seq_ID' _Item.ID 4969 _Item.Name '_Rep_conf.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_ID' _Item.ID 4970 _Item.Name '_Rep_conf.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Rep_conf.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_type' _Item.ID 4971 _Item.Name '_Rep_conf.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Rep_conf.Atom_cartn_x _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_cartn_x' _Item.ID 4972 _Item.Name '_Rep_conf.Atom_cartn_x' _Item.Description ; The x atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Rep_conf.Atom_cartn_y _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_cartn_y' _Item.ID 4973 _Item.Name '_Rep_conf.Atom_cartn_y' _Item.Description ; The y atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Rep_conf.Atom_cartn_z _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_cartn_z' _Item.ID 4974 _Item.Name '_Rep_conf.Atom_cartn_z' _Item.Description ; The z atom-site coordinate in angstroms specified according to a set of orthogonal Cartesian axes. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Rep_conf.Atom_cartn_x_esd _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_cartn_x_esd' _Item.ID 4975 _Item.Name '_Rep_conf.Atom_cartn_x_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Rep_conf.Atom_cartn_x'. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Rep_conf.Atom_cartn_y_esd _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_cartn_y_esd' _Item.ID 4976 _Item.Name '_Rep_conf.Atom_cartn_y_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Rep_conf.Atom_cartn_y'. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Rep_conf.Atom_cartn_z_esd _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_cartn_z_esd' _Item.ID 4977 _Item.Name '_Rep_conf.Atom_cartn_z_esd' _Item.Description ; The standard uncertainty (estimated standard deviation) of '_Rep_conf.Atom_cartn_z'. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Rep_conf.Atom_position_uncertainty _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_position_uncertainty' _Item.ID 4978 _Item.Name '_Rep_conf.Atom_position_uncertainty' _Item.Description ; A value for the overall uncertainty in the reported atom coordinates. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Rep_conf.Atom_coord_footnote_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Atom_coord_footnote_ID' _Item.ID 4979 _Item.Name '_Rep_conf.Atom_coord_footnote_ID' _Item.Description ; Pointer to '_Rep_coordinate_details.Footnote_ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Rep_conf.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Auth_entity_assembly_ID' _Item.ID 4980 _Item.Name '_Rep_conf.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Rep_conf.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Auth_seq_ID' _Item.ID 4981 _Item.Name '_Rep_conf.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Rep_conf.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Auth_comp_ID' _Item.ID 4982 _Item.Name '_Rep_conf.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Rep_conf.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Auth_atom_ID' _Item.ID 4983 _Item.Name '_Rep_conf.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Rep_conf.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Sf_ID' _Item.ID 4984 _Item.Name '_Rep_conf.Sf_ID' _Item.Description ; Pointer to '_Representative_conformer.Sf_ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_conf.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Entry_ID' _Item.ID 4985 _Item.Name '_Rep_conf.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Rep_conf.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_conf.Representative_conformer_ID' _Item.ID 4986 _Item.Name '_Rep_conf.Representative_conformer_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 347 _Item.Category_label $Rep_conf _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Rep_coordinate_details _Category.Sf_category category_description _Category.Sf_framecode Rep_coordinate_details _Category.ID 348 _Category.Name 'Rep_coordinate_details' _category.Description ; Items in the rep_coordinate_details provide additional information about individual atomic coordinates in the reported representative conformer. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 82 _Category.Category_group_name representative_conformer _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4987 $_Rep_coordinate_details.Footnote_ID '_Rep_coordinate_details.Footnote_ID' 4990 $_Rep_coordinate_details.Entry_ID '_Rep_coordinate_details.Entry_ID' 4991 $_Rep_coordinate_details.Representative_conformer_ID '_Rep_coordinate_details.Representative_conformer_ID' 348 NMR-STAR stop_ save_ save__Rep_coordinate_details.Footnote_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_coordinate_details.Footnote_ID' _Item.ID 4987 _Item.Name '_Rep_coordinate_details.Footnote_ID' _Item.Description ; An integer value that uniquely identifies the listed footnote. ; _Item.Category_ID 348 _Item.Category_label $Rep_coordinate_details _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Rep_coordinate_details.Footnote _Item.Sf_category item_description _Item.Sf_framecode '_Rep_coordinate_details.Footnote' _Item.ID 4988 _Item.Name '_Rep_coordinate_details.Footnote' _Item.Description ; Text providing additional information regarding the coordinates for an atom in the representative structure. ; _Item.Category_ID 348 _Item.Category_label $Rep_coordinate_details _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Rep_coordinate_details.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_coordinate_details.Sf_ID' _Item.ID 4989 _Item.Name '_Rep_coordinate_details.Sf_ID' _Item.Description ; Pointer to '_Representative_conformer.Sf_ID' ; _Item.Category_ID 348 _Item.Category_label $Rep_coordinate_details _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Rep_coordinate_details.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_coordinate_details.Entry_ID' _Item.ID 4990 _Item.Name '_Rep_coordinate_details.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 348 _Item.Category_label $Rep_coordinate_details _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Rep_coordinate_details.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Rep_coordinate_details.Representative_conformer_ID' _Item.ID 4991 _Item.Name '_Rep_coordinate_details.Representative_conformer_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 348 _Item.Category_label $Rep_coordinate_details _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Constraint_stat_list _Category.Sf_category category_description _Category.Sf_framecode Constraint_stat_list _Category.ID 349 _Category.Name 'Constraint_stat_list' _category.Description ; Items in the constraint_stat_list category provide information about a list of reported constraint statistics derived from the constraints used to calculate the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 81 _Category.Category_group_name constraint_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 4994 $_Constraint_stat_list.Entry_ID '_Constraint_stat_list.Entry_ID' 4996 $_Constraint_stat_list.ID '_Constraint_stat_list.ID' 349 NMR-STAR stop_ save_ save__Constraint_stat_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Sf_category' _Item.ID 4992 _Item.Name '_Constraint_stat_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Constraint_stat_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Sf_framecode' _Item.ID 4993 _Item.Name '_Constraint_stat_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Constraint_stat_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Entry_ID' _Item.ID 4994 _Item.Name '_Constraint_stat_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Constraint_stat_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Sf_ID' _Item.ID 4995 _Item.Name '_Constraint_stat_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Constraint_stat_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ID' _Item.ID 4996 _Item.Name '_Constraint_stat_list.ID' _Item.Description ; Unique identifier for the reported list of contraint statistics. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Constraint_stat_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Name' _Item.ID 4997 _Item.Name '_Constraint_stat_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Constraint_stat_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Data_file_name' _Item.ID 4998 _Item.Name '_Constraint_stat_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Constraint_stat_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Details' _Item.ID 4999 _Item.Name '_Constraint_stat_list.Details' _Item.Description ; Text providing additional information regarding the reported constraint statistics. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Constraint_stat_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Text_data_format' _Item.ID 5000 _Item.Name '_Constraint_stat_list.Text_data_format' _Item.Description ; The data format used to represent the constraint statistical data as ASCII text in the text block that is the value to the '_Constraint_stat_list.Text_data' tag. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Constraint_stat_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Text_data' _Item.ID 5001 _Item.Name '_Constraint_stat_list.Text_data' _Item.Description ; A set of constraint statistics data formatted as ASCII text. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Constraint_stat_list.Stats_not_available _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Stats_not_available' _Item.ID 5002 _Item.Name '_Constraint_stat_list.Stats_not_available' _Item.Description ; Depositors are strongly encouraged to enter a few statistical parameters describing the constraints used to calculate the deposited conformers. If these data are not available, please check the box provided. After checking the box and clicking on the 'sav ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Constraint_stat_list.NOE_interproton_dist_evaluation _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_interproton_dist_evaluation' _Item.ID 5003 _Item.Name '_Constraint_stat_list.NOE_interproton_dist_evaluation' _Item.Description ; Method used to evaluate interproton distances from NOE data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_stat_list.NOE_interproton_dist_evaluation' 'Tryptophan ring proton NOE intensities' ? 5003 349 NMR-STAR '_Constraint_stat_list.NOE_interproton_dist_evaluation' 'Glycine alpha proton NOE intensities' ? 5003 349 NMR-STAR stop_ save_ save__Constraint_stat_list.NOE_pseudoatom_corrections _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_pseudoatom_corrections' _Item.ID 5004 _Item.Name '_Constraint_stat_list.NOE_pseudoatom_corrections' _Item.Description ; A yes/no flag that defines whether pseudoatom corrections have been applied in calculating the NOE restraint statistics. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Constraint_stat_list.NOE_dist_averaging_method _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_dist_averaging_method' _Item.ID 5005 _Item.Name '_Constraint_stat_list.NOE_dist_averaging_method' _Item.Description ; Mothod used to correct for motional averaging in evaluating interproton distances from NOE data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_stat_list.NOE_dist_averaging_method' r-6 ? 5005 349 NMR-STAR '_Constraint_stat_list.NOE_dist_averaging_method' r-3 ? 5005 349 NMR-STAR '_Constraint_stat_list.NOE_dist_averaging_method' sum ? 5005 349 NMR-STAR '_Constraint_stat_list.NOE_dist_averaging_method' center ? 5005 349 NMR-STAR stop_ save_ save__Constraint_stat_list.ROE_interproton_dist_evaluation _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_interproton_dist_evaluation' _Item.ID 5006 _Item.Name '_Constraint_stat_list.ROE_interproton_dist_evaluation' _Item.Description ; Method used to evaluate interproton distances from ROE data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_stat_list.ROE_interproton_dist_evaluation' 'Tryptophan ring proton NOE intensities' ? 5006 349 NMR-STAR '_Constraint_stat_list.ROE_interproton_dist_evaluation' 'Glycine alpha proton NOE intensities' ? 5006 349 NMR-STAR stop_ save_ save__Constraint_stat_list.ROE_pseudoatom_corrections _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_pseudoatom_corrections' _Item.ID 5007 _Item.Name '_Constraint_stat_list.ROE_pseudoatom_corrections' _Item.Description ; A yes/no flag that defines whether pseudoatom corrections have been applied in calculating the ROE restraint statistics. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Constraint_stat_list.ROE_dist_averaging_method _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_dist_averaging_method' _Item.ID 5008 _Item.Name '_Constraint_stat_list.ROE_dist_averaging_method' _Item.Description ; Mothod used to correct for motional averaging in evaluating interproton distances from ROE data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_stat_list.ROE_dist_averaging_method' r-6 ? 5008 349 NMR-STAR '_Constraint_stat_list.ROE_dist_averaging_method' r-3 ? 5008 349 NMR-STAR '_Constraint_stat_list.ROE_dist_averaging_method' sum ? 5008 349 NMR-STAR '_Constraint_stat_list.ROE_dist_averaging_method' center ? 5008 349 NMR-STAR stop_ save_ save__Constraint_stat_list.NOE_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_tot_num' _Item.ID 5009 _Item.Name '_Constraint_stat_list.NOE_tot_num' _Item.Description ; Provide the total count of all NOE values used to calculate the conformers. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_tot_num' _Item.ID 5010 _Item.Name '_Constraint_stat_list.RDC_tot_num' _Item.Description ; Total number of all RDC constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Dihedral_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Dihedral_angle_tot_num' _Item.ID 5011 _Item.Name '_Constraint_stat_list.Dihedral_angle_tot_num' _Item.Description ; Please enter the total number of dihedral and torsion angle constraints used to calculate the reported conformers. This would include constraints for all components in the molecular system (proteins, nucleic acids, and ligands). ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_dihedral_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_dihedral_angle_tot_num' _Item.ID 5012 _Item.Name '_Constraint_stat_list.Protein_dihedral_angle_tot_num' _Item.Description ; Enter the total number of dihedral and torsion angle constraints related to the protein components of the molecular system studied. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_dihedral_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_dihedral_angle_tot_num' _Item.ID 5013 _Item.Name '_Constraint_stat_list.NA_dihedral_angle_tot_num' _Item.Description ; Enter the total number of dihedral and torsion angle constraints related to the nucleic acid components of the molecular system studied. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_intraresidue_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_intraresidue_tot_num' _Item.ID 5014 _Item.Name '_Constraint_stat_list.NOE_intraresidue_tot_num' _Item.Description ; Enter the total count of NOE values that represent interactions between atoms within a single residue (amino acid, nucleic acid, or other residue). ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_sequential_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_sequential_tot_num' _Item.ID 5015 _Item.Name '_Constraint_stat_list.NOE_sequential_tot_num' _Item.Description ; Enter the total count of NOE values that represent interactions between sequential residues in the biopolymer chain (|i-j| = 1). ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_medium_range_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_medium_range_tot_num' _Item.ID 5016 _Item.Name '_Constraint_stat_list.NOE_medium_range_tot_num' _Item.Description ; Provide the total count of the NOE values that represent interactions between residues defined as 'medium-range' or relatively close in the sequence of the biopolymer chain (|i-j| < 5). For proteins, these NOEs are often used to define secondary structure ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_long_range_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_long_range_tot_num' _Item.ID 5017 _Item.Name '_Constraint_stat_list.NOE_long_range_tot_num' _Item.Description ; Enter the total count of 'long-range' NOE values representing interactions between residues distance in the biopolymer sequence (|i-j| > 4) and other NOEs not included in the other counts. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_unique_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_unique_tot_num' _Item.ID 5018 _Item.Name '_Constraint_stat_list.NOE_unique_tot_num' _Item.Description ; Total number of unique NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_intraresidue_unique_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_intraresidue_unique_tot_num' _Item.ID 5019 _Item.Name '_Constraint_stat_list.NOE_intraresidue_unique_tot_num' _Item.Description ; Total number of unique intraresidue (i-j=0) NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_sequential_unique_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_sequential_unique_tot_num' _Item.ID 5020 _Item.Name '_Constraint_stat_list.NOE_sequential_unique_tot_num' _Item.Description ; Total number of unique sequential (|i-j|=1) NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_medium_range_unique_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_medium_range_unique_tot_num' _Item.ID 5021 _Item.Name '_Constraint_stat_list.NOE_medium_range_unique_tot_num' _Item.Description ; Total number of unique medium range (2<|i-j|<5) NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_long_range_unique_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_long_range_unique_tot_num' _Item.ID 5022 _Item.Name '_Constraint_stat_list.NOE_long_range_unique_tot_num' _Item.Description ; Total number of unique long range (|i-j|>4) NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_unamb_intramol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_unamb_intramol_tot_num' _Item.ID 5023 _Item.Name '_Constraint_stat_list.NOE_unamb_intramol_tot_num' _Item.Description ; Total number of unambiguous intramolecular NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_unamb_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_unamb_intermol_tot_num' _Item.ID 5024 _Item.Name '_Constraint_stat_list.NOE_unamb_intermol_tot_num' _Item.Description ; Total number of unambiguous intermolecular NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_ambig_intramol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_ambig_intramol_tot_num' _Item.ID 5025 _Item.Name '_Constraint_stat_list.NOE_ambig_intramol_tot_num' _Item.Description ; Total number of ambiguous intramolecular NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_ambig_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_ambig_intermol_tot_num' _Item.ID 5026 _Item.Name '_Constraint_stat_list.NOE_ambig_intermol_tot_num' _Item.Description ; Total number of ambiguous intermolecular NOE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_interentity_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_interentity_tot_num' _Item.ID 5027 _Item.Name '_Constraint_stat_list.NOE_interentity_tot_num' _Item.Description ; Enter the total number of NOE constraints that represent interactions between nuclei on different molecular components in the molecular assembly studied. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NOE_other_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NOE_other_tot_num' _Item.ID 5028 _Item.Name '_Constraint_stat_list.NOE_other_tot_num' _Item.Description ; Provide a total count of NOE values that do not fit in any of the catagories for specific types of NOE constraints (not the total NOE count) listed above. These might be NOE values from interactions between nuclei within a ligand. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_tot_num' _Item.ID 5029 _Item.Name '_Constraint_stat_list.ROE_tot_num' _Item.Description ; Provide the total count of all NOE values used to calculate the conformers. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_intraresidue_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_intraresidue_tot_num' _Item.ID 5030 _Item.Name '_Constraint_stat_list.ROE_intraresidue_tot_num' _Item.Description ; Enter the total count of NOE values that represent interactions between atoms within a single residue (amino acid, nucleic acid, or other residue). ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_sequential_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_sequential_tot_num' _Item.ID 5031 _Item.Name '_Constraint_stat_list.ROE_sequential_tot_num' _Item.Description ; Enter the total count of NOE values that represent interactions between sequential residues in the biopolymer chain (|i-j| = 1). ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_medium_range_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_medium_range_tot_num' _Item.ID 5032 _Item.Name '_Constraint_stat_list.ROE_medium_range_tot_num' _Item.Description ; Provide the total count of the NOE values that represent interactions between residues defined as 'medium-range' or relatively close in the sequence of the biopolymer chain (|i-j| < 5). For proteins, these NOEs are often used to define secondary structure ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_long_range_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_long_range_tot_num' _Item.ID 5033 _Item.Name '_Constraint_stat_list.ROE_long_range_tot_num' _Item.Description ; Enter the total count of 'long-range' NOE values representing interactions between residues distance in the biopolymer sequence (|i-j| > 4) and other NOEs not included in the other counts. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_unambig_intramol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_unambig_intramol_tot_num' _Item.ID 5034 _Item.Name '_Constraint_stat_list.ROE_unambig_intramol_tot_num' _Item.Description ; Total number of unambiguous intramolecular ROE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_unambig_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_unambig_intermol_tot_num' _Item.ID 5035 _Item.Name '_Constraint_stat_list.ROE_unambig_intermol_tot_num' _Item.Description ; Total number of unambiguous intermolecular ROE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_ambig_intramol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_ambig_intramol_tot_num' _Item.ID 5036 _Item.Name '_Constraint_stat_list.ROE_ambig_intramol_tot_num' _Item.Description ; Total number of ambiguous intramolecular ROE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_ambig_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_ambig_intermol_tot_num' _Item.ID 5037 _Item.Name '_Constraint_stat_list.ROE_ambig_intermol_tot_num' _Item.Description ; Total number of ambiguous intermolecular ROE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.ROE_other_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.ROE_other_tot_num' _Item.ID 5038 _Item.Name '_Constraint_stat_list.ROE_other_tot_num' _Item.Description ; Total number of other kinds of ROE constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_HH_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_HH_tot_num' _Item.ID 5039 _Item.Name '_Constraint_stat_list.RDC_HH_tot_num' _Item.Description ; Total number of H to H RDC constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_HNC_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_HNC_tot_num' _Item.ID 5040 _Item.Name '_Constraint_stat_list.RDC_HNC_tot_num' _Item.Description ; Two bond interresidue coupling between amide proton and carbonyl carbon of previous residue ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_NH_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_NH_tot_num' _Item.ID 5041 _Item.Name '_Constraint_stat_list.RDC_NH_tot_num' _Item.Description ; One bond coupling between amide nitrogen and amide proton ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_CC_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_CC_tot_num' _Item.ID 5042 _Item.Name '_Constraint_stat_list.RDC_CC_tot_num' _Item.Description ; Total number of C to C RDC constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_CN_i_1_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_CN_i_1_tot_num' _Item.ID 5043 _Item.Name '_Constraint_stat_list.RDC_CN_i_1_tot_num' _Item.Description ; One bond interesidue coupling between amide nitrogen and carbonyl carbon of previous residue ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_CAHA_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_CAHA_tot_num' _Item.ID 5044 _Item.Name '_Constraint_stat_list.RDC_CAHA_tot_num' _Item.Description ; One bond coupling between alpha carbon and alpha proton ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_HNHA_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_HNHA_tot_num' _Item.ID 5045 _Item.Name '_Constraint_stat_list.RDC_HNHA_tot_num' _Item.Description ; Three bond intraresidue coupling between amide proton and alpha proton ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_HNHA_i_1_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_HNHA_i_1_tot_num' _Item.ID 5046 _Item.Name '_Constraint_stat_list.RDC_HNHA_i_1_tot_num' _Item.Description ; Four bond interresidue coupling between amide proton and alpha proton of previous residue ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_CAC_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_CAC_tot_num' _Item.ID 5047 _Item.Name '_Constraint_stat_list.RDC_CAC_tot_num' _Item.Description ; One bond coupling between alpha carbon and carbonyl carbon ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_CAN_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_CAN_tot_num' _Item.ID 5048 _Item.Name '_Constraint_stat_list.RDC_CAN_tot_num' _Item.Description ; One bond coupling between alpha carbon and amide nitrogen ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_intraresidue_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_intraresidue_tot_num' _Item.ID 5049 _Item.Name '_Constraint_stat_list.RDC_intraresidue_tot_num' _Item.Description ; Total number of intraresidue (i-j=0) residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_sequential_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_sequential_tot_num' _Item.ID 5050 _Item.Name '_Constraint_stat_list.RDC_sequential_tot_num' _Item.Description ; Total number of sequential (|i-j|=1) residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_medium_range_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_medium_range_tot_num' _Item.ID 5051 _Item.Name '_Constraint_stat_list.RDC_medium_range_tot_num' _Item.Description ; Total number of medium range (|i-j|<5) residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_long_range_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_long_range_tot_num' _Item.ID 5052 _Item.Name '_Constraint_stat_list.RDC_long_range_tot_num' _Item.Description ; Total number of long range (|i-j|>4) and other residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_other_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_other_tot_num' _Item.ID 5053 _Item.Name '_Constraint_stat_list.RDC_other_tot_num' _Item.Description ; Total number of other residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_unambig_intramol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_unambig_intramol_tot_num' _Item.ID 5054 _Item.Name '_Constraint_stat_list.RDC_unambig_intramol_tot_num' _Item.Description ; Total number of unambiguous intramolecular residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_unambig_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_unambig_intermol_tot_num' _Item.ID 5055 _Item.Name '_Constraint_stat_list.RDC_unambig_intermol_tot_num' _Item.Description ; Total number of unambiguous intermolecular residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_ambig_intramol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_ambig_intramol_tot_num' _Item.ID 5056 _Item.Name '_Constraint_stat_list.RDC_ambig_intramol_tot_num' _Item.Description ; Total number of ambiguous intramolecular residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_ambig_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_ambig_intermol_tot_num' _Item.ID 5057 _Item.Name '_Constraint_stat_list.RDC_ambig_intermol_tot_num' _Item.Description ; Total number of ambiguous intermolecular residual dipolar coupling constraints. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.RDC_intermol_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.RDC_intermol_tot_num' _Item.ID 5058 _Item.Name '_Constraint_stat_list.RDC_intermol_tot_num' _Item.Description ; Total number of intermolecular RDC constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_phi_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_phi_angle_tot_num' _Item.ID 5059 _Item.Name '_Constraint_stat_list.Protein_phi_angle_tot_num' _Item.Description ; Total number of protein phi angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_psi_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_psi_angle_tot_num' _Item.ID 5060 _Item.Name '_Constraint_stat_list.Protein_psi_angle_tot_num' _Item.Description ; Total number of protein psi angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_chi_one_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_chi_one_angle_tot_num' _Item.ID 5061 _Item.Name '_Constraint_stat_list.Protein_chi_one_angle_tot_num' _Item.Description ; Total number of protein chi1 angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_other_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_other_angle_tot_num' _Item.ID 5062 _Item.Name '_Constraint_stat_list.Protein_other_angle_tot_num' _Item.Description ; Total number of protein constraints for other torsion or dihedral angles ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_ambig_dihedral_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_ambig_dihedral_tot_num' _Item.ID 5063 _Item.Name '_Constraint_stat_list.Protein_ambig_dihedral_tot_num' _Item.Description ; Total number of ambiguous dihedral angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Protein_other_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Protein_other_tot_num' _Item.ID 5064 _Item.Name '_Constraint_stat_list.Protein_other_tot_num' _Item.Description ; Total number of other protein constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_alpha_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_alpha_angle_tot_num' _Item.ID 5065 _Item.Name '_Constraint_stat_list.NA_alpha_angle_tot_num' _Item.Description ; Total number of nucleic acid alpha angle contstraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_beta_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_beta_angle_tot_num' _Item.ID 5066 _Item.Name '_Constraint_stat_list.NA_beta_angle_tot_num' _Item.Description ; Total number of nucleic acid beta angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_gamma_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_gamma_angle_tot_num' _Item.ID 5067 _Item.Name '_Constraint_stat_list.NA_gamma_angle_tot_num' _Item.Description ; Total number of nucleic acid gamma angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_delta_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_delta_angle_tot_num' _Item.ID 5068 _Item.Name '_Constraint_stat_list.NA_delta_angle_tot_num' _Item.Description ; Total number of nucleic acid delta angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_epsilon_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_epsilon_angle_tot_num' _Item.ID 5069 _Item.Name '_Constraint_stat_list.NA_epsilon_angle_tot_num' _Item.Description ; Total number of nucleic acid epsilon angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_chi_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_chi_angle_tot_num' _Item.ID 5070 _Item.Name '_Constraint_stat_list.NA_chi_angle_tot_num' _Item.Description ; Total number of nucleic acid chi angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_sugar_pucker_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_sugar_pucker_tot_num' _Item.ID 5071 _Item.Name '_Constraint_stat_list.NA_sugar_pucker_tot_num' _Item.Description ; Total number of nucleic acid sugar pucker constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_other_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_other_angle_tot_num' _Item.ID 5072 _Item.Name '_Constraint_stat_list.NA_other_angle_tot_num' _Item.Description ; Total number of constraints for other nucleic acid angles ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_amb_dihedral_angle_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_amb_dihedral_angle_tot_num' _Item.ID 5073 _Item.Name '_Constraint_stat_list.NA_amb_dihedral_angle_tot_num' _Item.Description ; Total number of ambiguous nucleic acid dihedral angle constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.NA_other_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.NA_other_tot_num' _Item.ID 5074 _Item.Name '_Constraint_stat_list.NA_other_tot_num' _Item.Description ; Total number of other kinds of nucleic acid constraints ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.H_bonds_constrained_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.H_bonds_constrained_tot_num' _Item.ID 5075 _Item.Name '_Constraint_stat_list.H_bonds_constrained_tot_num' _Item.Description ; Number of H-bonds constrained by experimental data ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Constr_def_H_bonds_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Constr_def_H_bonds_tot_num' _Item.ID 5076 _Item.Name '_Constraint_stat_list.Constr_def_H_bonds_tot_num' _Item.Description ; Total number constraint values defining H-bonds ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.SS_bonds_constrained_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.SS_bonds_constrained_tot_num' _Item.ID 5077 _Item.Name '_Constraint_stat_list.SS_bonds_constrained_tot_num' _Item.Description ; Number of disulfide bonds constrained by experimental values ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Constr_def_SS_bonds_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Constr_def_SS_bonds_tot_num' _Item.ID 5078 _Item.Name '_Constraint_stat_list.Constr_def_SS_bonds_tot_num' _Item.Description ; Total number of constraint values defining disulfide bonds ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Derived_coupling_const_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Derived_coupling_const_tot_num' _Item.ID 5079 _Item.Name '_Constraint_stat_list.Derived_coupling_const_tot_num' _Item.Description ; Total number of constraints derived from coupling constant data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Derived_CACB_chem_shift_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Derived_CACB_chem_shift_tot_num' _Item.ID 5080 _Item.Name '_Constraint_stat_list.Derived_CACB_chem_shift_tot_num' _Item.Description ; Total number of constraints derived from CA and CB chemical shift data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Derived_1H_chem_shifts_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Derived_1H_chem_shifts_tot_num' _Item.ID 5081 _Item.Name '_Constraint_stat_list.Derived_1H_chem_shifts_tot_num' _Item.Description ; Total number of constraints derived from 1H chemical shift data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Derived_photo_cidnps_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Derived_photo_cidnps_tot_num' _Item.ID 5082 _Item.Name '_Constraint_stat_list.Derived_photo_cidnps_tot_num' _Item.Description ; Total number of constraints derived from photo cidnp data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Derived_paramag_relax_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Derived_paramag_relax_tot_num' _Item.ID 5083 _Item.Name '_Constraint_stat_list.Derived_paramag_relax_tot_num' _Item.Description ; Total number of constraints derived from paramagnetic relaxation data. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Assumed_distances_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Assumed_distances_tot_num' _Item.ID 5084 _Item.Name '_Constraint_stat_list.Assumed_distances_tot_num' _Item.Description ; Total number of distance constraints assumed to be present. These may have been taken from an X-ray structure. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Assumed_angles_tot_num _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Assumed_angles_tot_num' _Item.ID 5085 _Item.Name '_Constraint_stat_list.Assumed_angles_tot_num' _Item.Description ; Total number of angle constraints assumed to be present. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_stat_list.Constraints_per_residue_avg _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Constraints_per_residue_avg' _Item.ID 5086 _Item.Name '_Constraint_stat_list.Constraints_per_residue_avg' _Item.Description ; Average number of constraints per residue in the biopolymer. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list.Constr_violations_per_residue_avg _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Constr_violations_per_residue_avg' _Item.ID 5087 _Item.Name '_Constraint_stat_list.Constr_violations_per_residue_avg' _Item.Description ; Average number of constraint violations per residue in the biopolymer. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list.Dist_constr_violat_stat_calc_method _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list.Dist_constr_violat_stat_calc_method' _Item.ID 5088 _Item.Name '_Constraint_stat_list.Dist_constr_violat_stat_calc_method' _Item.Description ; Method used to calculate the distance constraint violations. ; _Item.Category_ID 349 _Item.Category_label $Constraint_stat_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_stat_list.Dist_constr_violat_stat_calc_method' 'calculated over all distance constraints' ? 5088 349 NMR-STAR '_Constraint_stat_list.Dist_constr_violat_stat_calc_method' 'calculated for distance violations only' ? 5088 349 NMR-STAR stop_ save_ save_Constraint_stat_list_ens _Category.Sf_category category_description _Category.Sf_framecode Constraint_stat_list_ens _Category.ID 350 _Category.Name 'Constraint_stat_list_ens' _category.Description ; Items in the constraint_stat_list_ens category record statistical information about the constraints used to calculate the reported ensemble of conformers. ; _Category.Loop_code yes _Category.Category_group_ID 81 _Category.Category_group_name constraint_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5126 $_Constraint_stat_list_ens.Entry_ID '_Constraint_stat_list_ens.Entry_ID' 5127 $_Constraint_stat_list_ens.Constraint_stat_list_ID '_Constraint_stat_list_ens.Constraint_stat_list_ID' 350 NMR-STAR stop_ save_ save__Constraint_stat_list_ens.Constraint_stats_not_available _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Constraint_stats_not_available' _Item.ID 5089 _Item.Name '_Constraint_stat_list_ens.Constraint_stats_not_available' _Item.Description ; Depositors are strongly encouraged to provide a few statistics related to the constraints used to calculate the ensemble of conformers and the conformer ensemble. If the statistics are not available, the box provided can be checked and the constraint stat ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Constraint_stat_list_ens.Dist_constraint_violation_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dist_constraint_violation_max' _Item.ID 5090 _Item.Name '_Constraint_stat_list_ens.Dist_constraint_violation_max' _Item.Description ; Value for the maximum distance constraint violation in angstroms. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Upper_dist_constr_violat_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Upper_dist_constr_violat_max' _Item.ID 5091 _Item.Name '_Constraint_stat_list_ens.Upper_dist_constr_violat_max' _Item.Description ; Value for the maximum upper distance constraint violation in angstroms. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Lower_dist_constr_violat_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Lower_dist_constr_violat_max' _Item.ID 5092 _Item.Name '_Constraint_stat_list_ens.Lower_dist_constr_violat_max' _Item.Description ; Value for the maximum lower distance constraint violation in angstroms. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dist_constraint_violation_avg _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dist_constraint_violation_avg' _Item.ID 5093 _Item.Name '_Constraint_stat_list_ens.Dist_constraint_violation_avg' _Item.Description ; Value for the average distance constraint violation. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.All_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.All_dist_rmsd' _Item.ID 5094 _Item.Name '_Constraint_stat_list_ens.All_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over all distance constraint violations. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.All_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.All_dist_rmsd_err' _Item.ID 5095 _Item.Name '_Constraint_stat_list_ens.All_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over all distance contstraint violations. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Intraresidue_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Intraresidue_dist_rmsd' _Item.ID 5096 _Item.Name '_Constraint_stat_list_ens.Intraresidue_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the intraresidue distance constrant violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Intraresidue_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Intraresidue_dist_rmsd_err' _Item.ID 5097 _Item.Name '_Constraint_stat_list_ens.Intraresidue_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the intraresidue distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Sequential_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Sequential_dist_rmsd' _Item.ID 5098 _Item.Name '_Constraint_stat_list_ens.Sequential_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the 'sequencial distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Sequential_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Sequential_dist_rmsd_err' _Item.ID 5099 _Item.Name '_Constraint_stat_list_ens.Sequential_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the 'sequencial' distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Short_range_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Short_range_dist_rmsd' _Item.ID 5100 _Item.Name '_Constraint_stat_list_ens.Short_range_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the 'short range' distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Short_range_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Short_range_dist_rmsd_err' _Item.ID 5101 _Item.Name '_Constraint_stat_list_ens.Short_range_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the 'short range' distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Long_range_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Long_range_dist_rmsd' _Item.ID 5102 _Item.Name '_Constraint_stat_list_ens.Long_range_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the 'long range' distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Long_range_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Long_range_dist_rmsd_err' _Item.ID 5103 _Item.Name '_Constraint_stat_list_ens.Long_range_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the 'long range' distnace constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Unamb_intermol_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Unamb_intermol_dist_rmsd' _Item.ID 5104 _Item.Name '_Constraint_stat_list_ens.Unamb_intermol_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the unambiguous intermolecular distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Unamb_intermol_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Unamb_intermol_dist_rmsd_err' _Item.ID 5105 _Item.Name '_Constraint_stat_list_ens.Unamb_intermol_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the unambiguous intermolecular distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Amb_intermol_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Amb_intermol_dist_rmsd' _Item.ID 5106 _Item.Name '_Constraint_stat_list_ens.Amb_intermol_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the ambiguous intermolecular distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Amb_intermol_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Amb_intermol_dist_rmsd_err' _Item.ID 5107 _Item.Name '_Constraint_stat_list_ens.Amb_intermol_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the ambiguous intermolecular distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Amb_intramol_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Amb_intramol_dist_rmsd' _Item.ID 5108 _Item.Name '_Constraint_stat_list_ens.Amb_intramol_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the ambiguous intramolecular distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Amb_intramol_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Amb_intramol_dist_rmsd_err' _Item.ID 5109 _Item.Name '_Constraint_stat_list_ens.Amb_intramol_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the ambiguous intramolecular distance constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Hydrogen_bond_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Hydrogen_bond_rmsd' _Item.ID 5110 _Item.Name '_Constraint_stat_list_ens.Hydrogen_bond_rmsd' _Item.Description ; Root mean squared deviation calculated over the hydrogen bond constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Hydrogen_bond_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Hydrogen_bond_rmsd_err' _Item.ID 5111 _Item.Name '_Constraint_stat_list_ens.Hydrogen_bond_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the hydrogen bond constraint violations for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dihedral_const_stat_calc_meth _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dihedral_const_stat_calc_meth' _Item.ID 5112 _Item.Name '_Constraint_stat_list_ens.Dihedral_const_stat_calc_meth' _Item.Description ; Method used to calculate the dihedral angle constraint violation statistics. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_stat_list_ens.Dihedral_const_stat_calc_meth' 'calculated over all dihedral constraints' ? 5112 350 NMR-STAR '_Constraint_stat_list_ens.Dihedral_const_stat_calc_meth' 'calculated for dihedral violations only' ? 5112 350 NMR-STAR stop_ save_ save__Constraint_stat_list_ens.Dihedral_const_violat_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dihedral_const_violat_max' _Item.ID 5113 _Item.Name '_Constraint_stat_list_ens.Dihedral_const_violat_max' _Item.Description ; Value for the maximum dihedral angle constratint violation for the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dihedral_const_violat_avg _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dihedral_const_violat_avg' _Item.ID 5114 _Item.Name '_Constraint_stat_list_ens.Dihedral_const_violat_avg' _Item.Description ; Average dihedral angle constraint violation calculated over the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dihedral_angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dihedral_angle_rmsd' _Item.ID 5115 _Item.Name '_Constraint_stat_list_ens.Dihedral_angle_rmsd' _Item.Description ; Root mean squared deviation value for the dihedral angle constraint violations calculated over the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dihedral_angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dihedral_angle_rmsd_err' _Item.ID 5116 _Item.Name '_Constraint_stat_list_ens.Dihedral_angle_rmsd_err' _Item.Description ; Estimated error in the dihedral angle constraint violations calculated over the ensemble of conformers. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_1H_1H_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_1H_1H_rmsd' _Item.ID 5117 _Item.Name '_Constraint_stat_list_ens.Dipolar_1H_1H_rmsd' _Item.Description ; Root mean square deviation for the 1H-1H residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_1H_1H_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_1H_1H_rmsd_err' _Item.ID 5118 _Item.Name '_Constraint_stat_list_ens.Dipolar_1H_1H_rmsd_err' _Item.Description ; Root mean square deviation error for the 1H-1H residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_1H_15N_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_1H_15N_rmsd' _Item.ID 5119 _Item.Name '_Constraint_stat_list_ens.Dipolar_1H_15N_rmsd' _Item.Description ; Root mean square deviation for the 1H-15N residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_1H_15N_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_1H_15N_rmsd_err' _Item.ID 5120 _Item.Name '_Constraint_stat_list_ens.Dipolar_1H_15N_rmsd_err' _Item.Description ; Root mean square deviation error for the 1H-15N residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_1H_13C_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_1H_13C_rmsd' _Item.ID 5121 _Item.Name '_Constraint_stat_list_ens.Dipolar_1H_13C_rmsd' _Item.Description ; Root mean square deviation for the 1H-13C residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_1H_13C_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_1H_13C_rmsd_err' _Item.ID 5122 _Item.Name '_Constraint_stat_list_ens.Dipolar_1H_13C_rmsd_err' _Item.Description ; Root mean square deviation error for the 1H-13C residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_13C_13C_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_13C_13C_rmsd' _Item.ID 5123 _Item.Name '_Constraint_stat_list_ens.Dipolar_13C_13C_rmsd' _Item.Description ; Root mean square deviation for the 13C-13C residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Dipolar_13C_13C_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Dipolar_13C_13C_rmsd_err' _Item.ID 5124 _Item.Name '_Constraint_stat_list_ens.Dipolar_13C_13C_rmsd_err' _Item.Description ; Root mean square deviation error for the 13C-13C residual dipolar coupling restraints. ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_ens.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Sf_ID' _Item.ID 5125 _Item.Name '_Constraint_stat_list_ens.Sf_ID' _Item.Description ; Pointer to '_Constraint_stat_list.Sf_ID' ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Constraint_stat_list_ens.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Entry_ID' _Item.ID 5126 _Item.Name '_Constraint_stat_list_ens.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Constraint_stat_list_ens.Constraint_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_ens.Constraint_stat_list_ID' _Item.ID 5127 _Item.Name '_Constraint_stat_list_ens.Constraint_stat_list_ID' _Item.Description ; Pointer to '_Constraint_stat_list.ID' ; _Item.Category_ID 350 _Item.Category_label $Constraint_stat_list_ens _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Constraint_stat_list_rep _Category.Sf_category category_description _Category.Sf_framecode Constraint_stat_list_rep _Category.ID 351 _Category.Name 'Constraint_stat_list_rep' _category.Description ; Items in the constraint_stat_list_rep category record statistical information about the constraints in relation to the reported representative conformer. ; _Category.Loop_code yes _Category.Category_group_ID 81 _Category.Category_group_name constraint_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5160 $_Constraint_stat_list_rep.Entry_ID '_Constraint_stat_list_rep.Entry_ID' 5161 $_Constraint_stat_list_rep.Constraint_stat_list_ID '_Constraint_stat_list_rep.Constraint_stat_list_ID' 351 NMR-STAR stop_ save_ save__Constraint_stat_list_rep.Constraint_stats_not_available _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Constraint_stats_not_available' _Item.ID 5128 _Item.Name '_Constraint_stat_list_rep.Constraint_stats_not_available' _Item.Description ; Depositors are strongly encouraged to enter statistics regarding the submitted constraints and the coordinates for the deposited representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'yes_no' _Item.Default_value '?' save_ save__Constraint_stat_list_rep.Dist_constraint_viol_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dist_constraint_viol_max' _Item.ID 5129 _Item.Name '_Constraint_stat_list_rep.Dist_constraint_viol_max' _Item.Description ; Value for the maximum distance constraint violation in angstroms. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Upper_dist_constr_violat_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Upper_dist_constr_violat_max' _Item.ID 5130 _Item.Name '_Constraint_stat_list_rep.Upper_dist_constr_violat_max' _Item.Description ; Value for the maximum upper distance constraint violation in angstroms. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Lower_dist_constr_violat_max _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Lower_dist_constr_violat_max' _Item.ID 5131 _Item.Name '_Constraint_stat_list_rep.Lower_dist_constr_violat_max' _Item.Description ; Value for the maximum lower distance constraint violation in angstroms. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dist_Constraint_violation_avg _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dist_Constraint_violation_avg' _Item.ID 5132 _Item.Name '_Constraint_stat_list_rep.Dist_Constraint_violation_avg' _Item.Description ; Value for the average distance constraint violation. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Intraresidue_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Intraresidue_dist_rmsd' _Item.ID 5133 _Item.Name '_Constraint_stat_list_rep.Intraresidue_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the intraresidue distance constrant violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Intraresidue_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Intraresidue_dist_rmsd_err' _Item.ID 5134 _Item.Name '_Constraint_stat_list_rep.Intraresidue_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the intraresidue distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Sequential_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Sequential_dist_rmsd' _Item.ID 5135 _Item.Name '_Constraint_stat_list_rep.Sequential_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the 'sequencial distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Sequential_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Sequential_dist_rmsd_err' _Item.ID 5136 _Item.Name '_Constraint_stat_list_rep.Sequential_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the 'sequencial' distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Short_range_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Short_range_dist_rmsd' _Item.ID 5137 _Item.Name '_Constraint_stat_list_rep.Short_range_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the 'short range' distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Short_range_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Short_range_dist_rmsd_err' _Item.ID 5138 _Item.Name '_Constraint_stat_list_rep.Short_range_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the 'short range' distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Long_range_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Long_range_dist_rmsd' _Item.ID 5139 _Item.Name '_Constraint_stat_list_rep.Long_range_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the 'long range' distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Long_range_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Long_range_dist_rmsd_err' _Item.ID 5140 _Item.Name '_Constraint_stat_list_rep.Long_range_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the 'long range' distnace constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Unamb_intermol_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Unamb_intermol_dist_rmsd' _Item.ID 5141 _Item.Name '_Constraint_stat_list_rep.Unamb_intermol_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the unambiguous intermolecular distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Unamb_intermol_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Unamb_intermol_dist_rmsd_err' _Item.ID 5142 _Item.Name '_Constraint_stat_list_rep.Unamb_intermol_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the unambiguous intermolecular distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Amb_intermol_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Amb_intermol_dist_rmsd' _Item.ID 5143 _Item.Name '_Constraint_stat_list_rep.Amb_intermol_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the ambiguous intermolecular distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Amb_intermol_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Amb_intermol_dist_rmsd_err' _Item.ID 5144 _Item.Name '_Constraint_stat_list_rep.Amb_intermol_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the ambiguous intermolecular distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Amb_intramol_dist_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Amb_intramol_dist_rmsd' _Item.ID 5145 _Item.Name '_Constraint_stat_list_rep.Amb_intramol_dist_rmsd' _Item.Description ; Root mean squared deviation calculated over the ambiguous intramolecular distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Amb_intramol_dist_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Amb_intramol_dist_rmsd_err' _Item.ID 5146 _Item.Name '_Constraint_stat_list_rep.Amb_intramol_dist_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the ambiguous intramolecular distance constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Hydrogen_bond_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Hydrogen_bond_rmsd' _Item.ID 5147 _Item.Name '_Constraint_stat_list_rep.Hydrogen_bond_rmsd' _Item.Description ; Root mean squared deviation calculated over the hydrogen bond constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Hydrogen_bond_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Hydrogen_bond_rmsd_err' _Item.ID 5148 _Item.Name '_Constraint_stat_list_rep.Hydrogen_bond_rmsd_err' _Item.Description ; Estimated error in the rmsd calculated over the hydrogen bond constraint violations for the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dihedral_angle_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dihedral_angle_rmsd' _Item.ID 5149 _Item.Name '_Constraint_stat_list_rep.Dihedral_angle_rmsd' _Item.Description ; Root mean squared deviation value for the dihedral angle constraint violations calculated over the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dihedral_angle_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dihedral_angle_rmsd_err' _Item.ID 5150 _Item.Name '_Constraint_stat_list_rep.Dihedral_angle_rmsd_err' _Item.Description ; Estimated error in the dihedral angle constraint violations calculated over the representative conformer. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_1H_1H_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_1H_1H_rmsd' _Item.ID 5151 _Item.Name '_Constraint_stat_list_rep.Dipolar_1H_1H_rmsd' _Item.Description ; Root mean square deviation for the 1H-1H residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_1H_1H_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_1H_1H_rmsd_err' _Item.ID 5152 _Item.Name '_Constraint_stat_list_rep.Dipolar_1H_1H_rmsd_err' _Item.Description ; Root mean square deviation error for the 1H-1H residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_1H_13C_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_1H_13C_rmsd' _Item.ID 5153 _Item.Name '_Constraint_stat_list_rep.Dipolar_1H_13C_rmsd' _Item.Description ; Root mean square deviation for the 1H-15N residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_1H_13C_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_1H_13C_rmsd_err' _Item.ID 5154 _Item.Name '_Constraint_stat_list_rep.Dipolar_1H_13C_rmsd_err' _Item.Description ; Root mean square deviation error for the 1H-15N residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_1H_15N_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_1H_15N_rmsd' _Item.ID 5155 _Item.Name '_Constraint_stat_list_rep.Dipolar_1H_15N_rmsd' _Item.Description ; Root mean square deviation for the 1H-13C residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_1H_15N_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_1H_15N_rmsd_err' _Item.ID 5156 _Item.Name '_Constraint_stat_list_rep.Dipolar_1H_15N_rmsd_err' _Item.Description ; Root mean square deviation error for the 1H-13C residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_13C_13C_rmsd _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_13C_13C_rmsd' _Item.ID 5157 _Item.Name '_Constraint_stat_list_rep.Dipolar_13C_13C_rmsd' _Item.Description ; Root mean square deviation for the 13C-13C residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Dipolar_13C_13C_rmsd_err _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Dipolar_13C_13C_rmsd_err' _Item.ID 5158 _Item.Name '_Constraint_stat_list_rep.Dipolar_13C_13C_rmsd_err' _Item.Description ; Root mean square deviation error for the 13C-13C residual dipolar coupling restraints. ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Constraint_stat_list_rep.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Sf_ID' _Item.ID 5159 _Item.Name '_Constraint_stat_list_rep.Sf_ID' _Item.Description ; Pointer to '_Constraint_stat_list.Sf_ID' ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Constraint_stat_list_rep.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Entry_ID' _Item.ID 5160 _Item.Name '_Constraint_stat_list_rep.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Constraint_stat_list_rep.Constraint_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stat_list_rep.Constraint_stat_list_ID' _Item.ID 5161 _Item.Name '_Constraint_stat_list_rep.Constraint_stat_list_ID' _Item.Description ; Pointer to '_Constraint_stat_list.ID' ; _Item.Category_ID 351 _Item.Category_label $Constraint_stat_list_rep _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Constraint_stats_constr_list _Category.Sf_category category_description _Category.Sf_framecode Constraint_stats_constr_list _Category.ID 352 _Category.Name 'Constraint_stats_constr_list' _category.Description ; Items in the constraint_stats_constr_list category define the sets of constraints used to calculate the statistical values reported. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 81 _Category.Category_group_name constraint_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5162 $_Constraint_stats_constr_list.Constraint_list_category '_Constraint_stats_constr_list.Constraint_list_category' 5163 $_Constraint_stats_constr_list.Constraint_list_ID '_Constraint_stats_constr_list.Constraint_list_ID' 5166 $_Constraint_stats_constr_list.Entry_ID '_Constraint_stats_constr_list.Entry_ID' 5167 $_Constraint_stats_constr_list.Constraint_stat_list_ID '_Constraint_stats_constr_list.Constraint_stat_list_ID' 352 NMR-STAR stop_ save_ save__Constraint_stats_constr_list.Constraint_list_category _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stats_constr_list.Constraint_list_category' _Item.ID 5162 _Item.Name '_Constraint_stats_constr_list.Constraint_list_category' _Item.Description ; Save frame category for the type of constraints used to calculate the constraint statistics. ; _Item.Category_ID 352 _Item.Category_label $Constraint_stats_constr_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Constraint_stats_constr_list.Constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stats_constr_list.Constraint_list_ID' _Item.ID 5163 _Item.Name '_Constraint_stats_constr_list.Constraint_list_ID' _Item.Description ; Pointer to the ID for the save frame of the category defined by the tag '_Conf_family_coord_set_constr_list.Constraint_list_category'. ; _Item.Category_ID 352 _Item.Category_label $Constraint_stats_constr_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Constraint_stats_constr_list.Constraint_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stats_constr_list.Constraint_list_label' _Item.ID 5164 _Item.Name '_Constraint_stats_constr_list.Constraint_list_label' _Item.Description ; Pointer to a save frame that contains structural constraint values. ; _Item.Category_ID 352 _Item.Category_label $Constraint_stats_constr_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Constraint_stats_constr_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stats_constr_list.Sf_ID' _Item.ID 5165 _Item.Name '_Constraint_stats_constr_list.Sf_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.Sf_ID' ; _Item.Category_ID 352 _Item.Category_label $Constraint_stats_constr_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Constraint_stats_constr_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stats_constr_list.Entry_ID' _Item.ID 5166 _Item.Name '_Constraint_stats_constr_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 352 _Item.Category_label $Constraint_stats_constr_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Constraint_stats_constr_list.Constraint_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_stats_constr_list.Constraint_stat_list_ID' _Item.ID 5167 _Item.Name '_Constraint_stats_constr_list.Constraint_stat_list_ID' _Item.Description ; Pointer to '_Constraint_stat_list.ID' ; _Item.Category_ID 352 _Item.Category_label $Constraint_stats_constr_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Constraint_file _Category.Sf_category category_description _Category.Sf_framecode Constraint_file _Category.ID 353 _Category.Name 'Constraint_file' _category.Description ; Items in the constraint_file category record the name of the constraint file, the software used to calculate conformers with the constraint file, and the characteristics of the constraints in the constraint file. ; _Category.Loop_code yes _Category.Category_group_ID 81 _Category.Category_group_name constraint_statistics _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5169 $_Constraint_file.Constraint_filename '_Constraint_file.Constraint_filename' 5174 $_Constraint_file.Constraint_type '_Constraint_file.Constraint_type' 5175 $_Constraint_file.Constraint_subtype '_Constraint_file.Constraint_subtype' 5179 $_Constraint_file.Entry_ID '_Constraint_file.Entry_ID' 5180 $_Constraint_file.Constraint_stat_list_ID '_Constraint_file.Constraint_stat_list_ID' 353 NMR-STAR stop_ save_ save__Constraint_file.ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.ID' _Item.ID 5168 _Item.Name '_Constraint_file.ID' _Item.Description ; Local unique identifier for the listed constraint file. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Constraint_file.Constraint_filename _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Constraint_filename' _Item.ID 5169 _Item.Name '_Constraint_file.Constraint_filename' _Item.Description ; Name of the uploaded file that contains the constraint data. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Constraint_file.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Software_ID' _Item.ID 5170 _Item.Name '_Constraint_file.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_file.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Software_label' _Item.ID 5171 _Item.Name '_Constraint_file.Software_label' _Item.Description ; A pointer to a save frame of category software. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Constraint_file.Software_name _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Software_name' _Item.ID 5172 _Item.Name '_Constraint_file.Software_name' _Item.Description ; Name of the software application that the listed constraint file is used as input. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_file.Software_name' AMBER ? 5172 353 NMR-STAR '_Constraint_file.Software_name' ARIA ? 5172 353 NMR-STAR '_Constraint_file.Software_name' CNS ? 5172 353 NMR-STAR '_Constraint_file.Software_name' CYANA ? 5172 353 NMR-STAR '_Constraint_file.Software_name' DISCOVER ? 5172 353 NMR-STAR '_Constraint_file.Software_name' TALOS ? 5172 353 NMR-STAR '_Constraint_file.Software_name' X-PLOR ? 5172 353 NMR-STAR '_Constraint_file.Software_name' NMR-STAR ? 5172 353 NMR-STAR stop_ save_ save__Constraint_file.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Block_ID' _Item.ID 5173 _Item.Name '_Constraint_file.Block_ID' _Item.Description ; Local unique identifier for a block of constraints within the constraint file. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Constraint_file.Constraint_type _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Constraint_type' _Item.ID 5174 _Item.Name '_Constraint_file.Constraint_type' _Item.Description ; The general type of constraint (distance, torsion angle, RDC, etc.) ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_file.Constraint_type' distance ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'dipolar coupling' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'protein dihedral angle' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'nucleic acid dihedral angle' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'coupling constant' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'chemical shift' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'other angle' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'chemical shift anisotropy' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'hydrogen exchange' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'line broadening' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'pseudocontact shift' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'intervector projection angle' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'protein peptide planarity' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'protein other kinds of constraints' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'nucleic acid base planarity' ? 5174 353 NMR-STAR '_Constraint_file.Constraint_type' 'nucleic acid other kinds of constraints' ? 5174 353 NMR-STAR stop_ save_ save__Constraint_file.Constraint_subtype _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Constraint_subtype' _Item.ID 5175 _Item.Name '_Constraint_file.Constraint_subtype' _Item.Description ; Specific type of constraint. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_file.Constraint_subtype' 'Not applicable' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' NOE ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' 'NOE buildup' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' 'NOE not seen' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' 'general distance' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' 'alignment tensor' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' chirality ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' prochirality ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' 'disulfide bond' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' 'hydrogen bond' ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' symmetry ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' ROE ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' peptide ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' ring ? 5175 353 NMR-STAR '_Constraint_file.Constraint_subtype' PRE ? 5175 353 NMR-STAR stop_ save_ save__Constraint_file.Constraint_subsubtype _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Constraint_subsubtype' _Item.ID 5176 _Item.Name '_Constraint_file.Constraint_subsubtype' _Item.Description ; Another level of description of the type of constraints in the file (simple, ambiguous, etc.) ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Constraint_file.Constraint_subsubtype' ambi ? 5176 353 NMR-STAR '_Constraint_file.Constraint_subsubtype' simple ? 5176 353 NMR-STAR stop_ save_ save__Constraint_file.Constraint_number _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Constraint_number' _Item.ID 5177 _Item.Name '_Constraint_file.Constraint_number' _Item.Description ; Number of constraints of this type and subtype in the file. ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Constraint_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Sf_ID' _Item.ID 5178 _Item.Name '_Constraint_file.Sf_ID' _Item.Description ; Pointer to '_Constraint_stat_list.Sf_ID' ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Constraint_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Entry_ID' _Item.ID 5179 _Item.Name '_Constraint_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Constraint_file.Constraint_stat_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Constraint_file.Constraint_stat_list_ID' _Item.ID 5180 _Item.Name '_Constraint_file.Constraint_stat_list_ID' _Item.Description ; Pointer to '_Constraint_stat_list.ID' ; _Item.Category_ID 353 _Item.Category_label $Constraint_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Force_constant_list _Category.Sf_category category_description _Category.Sf_framecode Force_constant_list _Category.ID 354 _Category.Name 'Force_constant_list' _category.Description ; Items in the force_constant_list category provide information about a list of reported force constants used in calculating the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 84 _Category.Category_group_name force_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5183 $_Force_constant_list.Entry_ID '_Force_constant_list.Entry_ID' 5185 $_Force_constant_list.ID '_Force_constant_list.ID' 354 NMR-STAR stop_ save_ save__Force_constant_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Sf_category' _Item.ID 5181 _Item.Name '_Force_constant_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Force_constant_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Sf_framecode' _Item.ID 5182 _Item.Name '_Force_constant_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Force_constant_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Entry_ID' _Item.ID 5183 _Item.Name '_Force_constant_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Force_constant_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Sf_ID' _Item.ID 5184 _Item.Name '_Force_constant_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Force_constant_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.ID' _Item.ID 5185 _Item.Name '_Force_constant_list.ID' _Item.Description ; Unique identifier for the list of reported force constants used in calculating structures. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Force_constant_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Name' _Item.ID 5186 _Item.Name '_Force_constant_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Force_constant_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Data_file_name' _Item.ID 5187 _Item.Name '_Force_constant_list.Data_file_name' _Item.Description ; Name of the uploaded data file that contains the list of force constant values used in calculating the structure. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Force_constant_list.Default_software_values_used _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Default_software_values_used' _Item.ID 5188 _Item.Name '_Force_constant_list.Default_software_values_used' _Item.Description ; Code defining if the default force constant values provided with the software package were used. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__Force_constant_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_list.Details' _Item.ID 5189 _Item.Name '_Force_constant_list.Details' _Item.Description ; Text providing additional information regarding the force constants used in calculating a structure. ; _Item.Category_ID 354 _Item.Category_label $Force_constant_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Force_constant_software _Category.Sf_category category_description _Category.Sf_framecode Force_constant_software _Category.ID 355 _Category.Name 'Force_constant_software' _category.Description ; Items in the force_constant_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 84 _Category.Category_group_name force_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5190 $_Force_constant_software.Software_ID '_Force_constant_software.Software_ID' 5195 $_Force_constant_software.Entry_ID '_Force_constant_software.Entry_ID' 5196 $_Force_constant_software.Force_constant_list_ID '_Force_constant_software.Force_constant_list_ID' 355 NMR-STAR stop_ save_ save__Force_constant_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Software_ID' _Item.ID 5190 _Item.Name '_Force_constant_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Force_constant_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Software_label' _Item.ID 5191 _Item.Name '_Force_constant_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Force_constant_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Method_ID' _Item.ID 5192 _Item.Name '_Force_constant_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Force_constant_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Method_label' _Item.ID 5193 _Item.Name '_Force_constant_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Force_constant_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Sf_ID' _Item.ID 5194 _Item.Name '_Force_constant_software.Sf_ID' _Item.Description ; Pointer to '_Force_constant_list.Sf_ID' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Force_constant_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Entry_ID' _Item.ID 5195 _Item.Name '_Force_constant_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Force_constant_software.Force_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant_software.Force_constant_list_ID' _Item.ID 5196 _Item.Name '_Force_constant_software.Force_constant_list_ID' _Item.Description ; Pointer to '_Force_constant_list.ID' ; _Item.Category_ID 355 _Item.Category_label $Force_constant_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Force_constant _Category.Sf_category category_description _Category.Sf_framecode Force_constant _Category.ID 356 _Category.Name 'Force_constant' _category.Description ; Items in the force_constant category record the force constant terms and their values used in calculating the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 84 _Category.Category_group_name force_constants _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5197 $_Force_constant.ID '_Force_constant.ID' 5202 $_Force_constant.Entry_ID '_Force_constant.Entry_ID' 5203 $_Force_constant.Force_constant_list_ID '_Force_constant.Force_constant_list_ID' 356 NMR-STAR stop_ save_ save__Force_constant.ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.ID' _Item.ID 5197 _Item.Name '_Force_constant.ID' _Item.Description ; Unique identifier for the reported force constant. ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Force_constant.Term _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.Term' _Item.ID 5198 _Item.Name '_Force_constant.Term' _Item.Description ; Select a force constant parameter from the list provided or enter your own name for the parameter that you are entering a value. ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Force_constant.Term' 'distance term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'torsion angle term' ? 5198 356 NMR-STAR '_Force_constant.Term' '1J coupling term' ? 5198 356 NMR-STAR '_Force_constant.Term' '3J coupling term' ? 5198 356 NMR-STAR '_Force_constant.Term' '13C shift term' ? 5198 356 NMR-STAR '_Force_constant.Term' '1H shift term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'dipolar couplings term' ? 5198 356 NMR-STAR '_Force_constant.Term' '2H isotope shift term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'T1 term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'T2 term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'CSA term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'Pseudocontact shift term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'covalent geometry bond term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'covalent geometry angles term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'covalent geometry impropers term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'non-bonded van der Waals interaction term' ? 5198 356 NMR-STAR '_Force_constant.Term' 'non-bonded radius of gyration interaction term' ? 5198 356 NMR-STAR stop_ save_ save__Force_constant.Units _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.Units' _Item.ID 5199 _Item.Name '_Force_constant.Units' _Item.Description ; Provide the units for the value entered. ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Force_constant.Units' kcal/mol*A2 'bonds; distance; radius of gyration; planarity' 5199 356 NMR-STAR '_Force_constant.Units' kcal/mol*rad2 'angle or dihedral angle' 5199 356 NMR-STAR '_Force_constant.Units' kcal/mol*A4 "van der Waals" 5199 356 NMR-STAR '_Force_constant.Units' kcal/mol*Hz2 "dipolar coupling; scalar couplings; T1/T2; CSA" 5199 356 NMR-STAR '_Force_constant.Units' kcal/mol*ppm2 "Chemical shifts; pseudocontact shifts" 5199 356 NMR-STAR stop_ save_ save__Force_constant.Val _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.Val' _Item.ID 5200 _Item.Name '_Force_constant.Val' _Item.Description ; Enter the value for the selected or manually entered force constant parameter. ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Force_constant.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.Sf_ID' _Item.ID 5201 _Item.Name '_Force_constant.Sf_ID' _Item.Description ; Pointer to '_Force_constant_list.Sf_ID' ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Force_constant.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.Entry_ID' _Item.ID 5202 _Item.Name '_Force_constant.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Force_constant.Force_constant_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Force_constant.Force_constant_list_ID' _Item.ID 5203 _Item.Name '_Force_constant.Force_constant_list_ID' _Item.Description ; Pointer to '_Force_constant_list.ID' ; _Item.Category_ID 356 _Item.Category_label $Force_constant _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Angular_order_parameter_list _Category.Sf_category category_description _Category.Sf_framecode Angular_order_parameter_list _Category.ID 357 _Category.Name 'Angular_order_parameter_list' _category.Description ; Items in the angular_order_parameter_list category provide information about a list of reported angular order parameter values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 85 _Category.Category_group_name angular_order_parameters _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5206 $_Angular_order_parameter_list.Entry_ID '_Angular_order_parameter_list.Entry_ID' 5208 $_Angular_order_parameter_list.ID '_Angular_order_parameter_list.ID' 357 NMR-STAR stop_ save_ save__Angular_order_parameter_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Sf_category' _Item.ID 5204 _Item.Name '_Angular_order_parameter_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angular_order_parameter_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Sf_framecode' _Item.ID 5205 _Item.Name '_Angular_order_parameter_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Angular_order_parameter_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Entry_ID' _Item.ID 5206 _Item.Name '_Angular_order_parameter_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angular_order_parameter_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Sf_ID' _Item.ID 5207 _Item.Name '_Angular_order_parameter_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Angular_order_parameter_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.ID' _Item.ID 5208 _Item.Name '_Angular_order_parameter_list.ID' _Item.Description ; Unique identifier for the list of reported angular order parameters. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Angular_order_parameter_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Name' _Item.ID 5209 _Item.Name '_Angular_order_parameter_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Angular_order_parameter_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Data_file_name' _Item.ID 5210 _Item.Name '_Angular_order_parameter_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Angular_order_parameter_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Text_data_format' _Item.ID 5211 _Item.Name '_Angular_order_parameter_list.Text_data_format' _Item.Description ; The data format used to represent the angular order parameter data as ASCII text in the text block that is the value to the '_Angular_order_parameter_list.Text_data' tag. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Angular_order_parameter_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_parameter_list.Text_data' _Item.ID 5212 _Item.Name '_Angular_order_parameter_list.Text_data' _Item.Description ; A set of angular order parameter data formatted as ASCII text. ; _Item.Category_ID 357 _Item.Category_label $Angular_order_parameter_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Angular_order_param _Category.Sf_category category_description _Category.Sf_framecode Angular_order_param _Category.ID 358 _Category.Name 'Angular_order_param' _category.Description ; Items in the angular_order_param category define the values of the angular order parameters calculated from the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 85 _Category.Category_group_name angular_order_parameters _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5213 $_Angular_order_param.ID '_Angular_order_param.ID' 5229 $_Angular_order_param.Entry_ID '_Angular_order_param.Entry_ID' 5230 $_Angular_order_param.Angular_order_parameter_list_ID '_Angular_order_param.Angular_order_parameter_list_ID' 358 NMR-STAR stop_ save_ save__Angular_order_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.ID' _Item.ID 5213 _Item.Name '_Angular_order_param.ID' _Item.Description ; Unique identifier for the reported angular order parameter value. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angular_order_param.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Assembly_atom_ID' _Item.ID 5214 _Item.Name '_Angular_order_param.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Angular_order_param.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Entity_assembly_ID' _Item.ID 5215 _Item.Name '_Angular_order_param.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angular_order_param.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Entity_ID' _Item.ID 5216 _Item.Name '_Angular_order_param.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angular_order_param.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Comp_index_ID' _Item.ID 5217 _Item.Name '_Angular_order_param.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angular_order_param.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Seq_ID' _Item.ID 5218 _Item.Name '_Angular_order_param.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angular_order_param.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Comp_ID' _Item.ID 5219 _Item.Name '_Angular_order_param.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angular_order_param.Phi_S_angle_val _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Phi_S_angle_val' _Item.ID 5220 _Item.Name '_Angular_order_param.Phi_S_angle_val' _Item.Description ; Order parameter value for the phi torsion angle in a protein. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Angular_order_param.Psi_S_angle_val _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Psi_S_angle_val' _Item.ID 5221 _Item.Name '_Angular_order_param.Psi_S_angle_val' _Item.Description ; Order parameter value for the psi torsion angle in a protein. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Angular_order_param.Chi_1_S_angle_val _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Chi_1_S_angle_val' _Item.ID 5222 _Item.Name '_Angular_order_param.Chi_1_S_angle_val' _Item.Description ; Order parameter value for the chi1 torsion angle in a protein. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Angular_order_param.Chi_2_S_angle_val _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Chi_2_S_angle_val' _Item.ID 5223 _Item.Name '_Angular_order_param.Chi_2_S_angle_val' _Item.Description ; Order parameter value for the chi2 torsion angle in a protein. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Angular_order_param.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Auth_entity_assembly_ID' _Item.ID 5224 _Item.Name '_Angular_order_param.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Angular_order_param.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Auth_seq_ID' _Item.ID 5225 _Item.Name '_Angular_order_param.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Angular_order_param.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Auth_comp_ID' _Item.ID 5226 _Item.Name '_Angular_order_param.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Angular_order_param.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Auth_atom_ID' _Item.ID 5227 _Item.Name '_Angular_order_param.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Angular_order_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Sf_ID' _Item.ID 5228 _Item.Name '_Angular_order_param.Sf_ID' _Item.Description ; Pointer to '_Angular_order_parameter_list.Sf_ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Angular_order_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Entry_ID' _Item.ID 5229 _Item.Name '_Angular_order_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Angular_order_param.Angular_order_parameter_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Angular_order_param.Angular_order_parameter_list_ID' _Item.ID 5230 _Item.Name '_Angular_order_param.Angular_order_parameter_list_ID' _Item.Description ; Pointer to '_Angular_order_parameter_list.ID' ; _Item.Category_ID 358 _Item.Category_label $Angular_order_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Tertiary_struct_element_list _Category.Sf_category category_description _Category.Sf_framecode Tertiary_struct_element_list _Category.ID 359 _Category.Name 'Tertiary_struct_element_list' _category.Description ; Items in the tertiary_struct_element_list category provide information about a list of reported annotations for tertiary structural elements found in the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 86 _Category.Category_group_name tertiary_struct_elements _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5233 $_Tertiary_struct_element_list.Entry_ID '_Tertiary_struct_element_list.Entry_ID' 5235 $_Tertiary_struct_element_list.ID '_Tertiary_struct_element_list.ID' 359 NMR-STAR stop_ save_ save__Tertiary_struct_element_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_list.Sf_category' _Item.ID 5231 _Item.Name '_Tertiary_struct_element_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 359 _Item.Category_label $Tertiary_struct_element_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tertiary_struct_element_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_list.Sf_framecode' _Item.ID 5232 _Item.Name '_Tertiary_struct_element_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 359 _Item.Category_label $Tertiary_struct_element_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Tertiary_struct_element_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_list.Entry_ID' _Item.ID 5233 _Item.Name '_Tertiary_struct_element_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 359 _Item.Category_label $Tertiary_struct_element_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tertiary_struct_element_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_list.Sf_ID' _Item.ID 5234 _Item.Name '_Tertiary_struct_element_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 359 _Item.Category_label $Tertiary_struct_element_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Tertiary_struct_element_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_list.ID' _Item.ID 5235 _Item.Name '_Tertiary_struct_element_list.ID' _Item.Description ; Unique identifier for the list of reported tertiary structure elements. ; _Item.Category_ID 359 _Item.Category_label $Tertiary_struct_element_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Tertiary_struct_element_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_list.Name' _Item.ID 5236 _Item.Name '_Tertiary_struct_element_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 359 _Item.Category_label $Tertiary_struct_element_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Tertiary_struct_element_sel _Category.Sf_category category_description _Category.Sf_framecode Tertiary_struct_element_sel _Category.ID 360 _Category.Name 'Tertiary_struct_element_sel' _category.Description ; Items in the tertiary_struct_element_sel category provide pointers to the methods used to identify tertiary structural elements in the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 86 _Category.Category_group_name tertiary_struct_elements _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5237 $_Tertiary_struct_element_sel.Method_ID '_Tertiary_struct_element_sel.Method_ID' 5240 $_Tertiary_struct_element_sel.Entry_ID '_Tertiary_struct_element_sel.Entry_ID' 5241 $_Tertiary_struct_element_sel.Tertiary_struct_element_list_ID '_Tertiary_struct_element_sel.Tertiary_struct_element_list_ID' 360 NMR-STAR stop_ save_ save__Tertiary_struct_element_sel.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_sel.Method_ID' _Item.ID 5237 _Item.Name '_Tertiary_struct_element_sel.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 360 _Item.Category_label $Tertiary_struct_element_sel _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct_element_sel.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_sel.Method_label' _Item.ID 5238 _Item.Name '_Tertiary_struct_element_sel.Method_label' _Item.Description ; Name of the method used to select the chemical components of the system that make up the tertiary structural element. ; _Item.Category_ID 360 _Item.Category_label $Tertiary_struct_element_sel _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Tertiary_struct_element_sel.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_sel.Sf_ID' _Item.ID 5239 _Item.Name '_Tertiary_struct_element_sel.Sf_ID' _Item.Description ; Pointer to '_Tertiary_struct_element_list.Sf_ID' ; _Item.Category_ID 360 _Item.Category_label $Tertiary_struct_element_sel _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct_element_sel.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_sel.Entry_ID' _Item.ID 5240 _Item.Name '_Tertiary_struct_element_sel.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 360 _Item.Category_label $Tertiary_struct_element_sel _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tertiary_struct_element_sel.Tertiary_struct_element_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct_element_sel.Tertiary_struct_element_list_ID' _Item.ID 5241 _Item.Name '_Tertiary_struct_element_sel.Tertiary_struct_element_list_ID' _Item.Description ; Pointer to '_Tertiary_struct_element_list.ID' ; _Item.Category_ID 360 _Item.Category_label $Tertiary_struct_element_sel _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Tertiary_struct _Category.Sf_category category_description _Category.Sf_framecode Tertiary_struct _Category.ID 361 _Category.Name 'Tertiary_struct' _category.Description ; Items in the tertiary_struct category define the types and locations of the tertiary structure elements described for the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 86 _Category.Category_group_name tertiary_struct_elements _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5242 $_Tertiary_struct.ID '_Tertiary_struct.ID' 5246 $_Tertiary_struct.Entity_assembly_ID '_Tertiary_struct.Entity_assembly_ID' 5249 $_Tertiary_struct.Comp_index_ID '_Tertiary_struct.Comp_index_ID' 5252 $_Tertiary_struct.Atom_ID '_Tertiary_struct.Atom_ID' 5261 $_Tertiary_struct.Entry_ID '_Tertiary_struct.Entry_ID' 5262 $_Tertiary_struct.Tertiary_struct_element_list_ID '_Tertiary_struct.Tertiary_struct_element_list_ID' 361 NMR-STAR stop_ save_ save__Tertiary_struct.ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.ID' _Item.ID 5242 _Item.Name '_Tertiary_struct.ID' _Item.Description ; Unique identifier for the reported tertiary structure element. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct.Tertiary_struct_code _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Tertiary_struct_code' _Item.ID 5243 _Item.Name '_Tertiary_struct.Tertiary_struct_code' _Item.Description ; A word or very brief phrase that defines a specific type of local region of a biopolymer's tertiary structure. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tertiary_struct.Tertiary_struct_name _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Tertiary_struct_name' _Item.ID 5244 _Item.Name '_Tertiary_struct.Tertiary_struct_name' _Item.Description ; An author defined name for the tertiary structure element. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Tertiary_struct.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Assembly_atom_ID' _Item.ID 5245 _Item.Name '_Tertiary_struct.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tertiary_struct.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Entity_assembly_ID' _Item.ID 5246 _Item.Name '_Tertiary_struct.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Entity_ID' _Item.ID 5247 _Item.Name '_Tertiary_struct.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct.Entity_label _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Entity_label' _Item.ID 5248 _Item.Name '_Tertiary_struct.Entity_label' _Item.Description ; Pointer to a save frame of the category 'entity' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Tertiary_struct.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Comp_index_ID' _Item.ID 5249 _Item.Name '_Tertiary_struct.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Seq_ID' _Item.ID 5250 _Item.Name '_Tertiary_struct.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Comp_ID' _Item.ID 5251 _Item.Name '_Tertiary_struct.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tertiary_struct.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Atom_ID' _Item.ID 5252 _Item.Name '_Tertiary_struct.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Tertiary_struct.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Atom_type' _Item.ID 5253 _Item.Name '_Tertiary_struct.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for a chemical element (i.e., H, C, P, etc). ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tertiary_struct.Tertiary_struct_element_code _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Tertiary_struct_element_code' _Item.ID 5254 _Item.Name '_Tertiary_struct.Tertiary_struct_element_code' _Item.Description ; Code defining the type of tertiary structure element that is being defined. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tertiary_struct.Details _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Details' _Item.ID 5255 _Item.Name '_Tertiary_struct.Details' _Item.Description ; Text providing additional information concerning the reported tertiary structure element. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Tertiary_struct.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Auth_entity_assembly_ID' _Item.ID 5256 _Item.Name '_Tertiary_struct.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tertiary_struct.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Auth_seq_ID' _Item.ID 5257 _Item.Name '_Tertiary_struct.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tertiary_struct.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Auth_comp_ID' _Item.ID 5258 _Item.Name '_Tertiary_struct.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tertiary_struct.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Auth_atom_ID' _Item.ID 5259 _Item.Name '_Tertiary_struct.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tertiary_struct.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Sf_ID' _Item.ID 5260 _Item.Name '_Tertiary_struct.Sf_ID' _Item.Description ; Pointer to '_Tertiary_struct_element_list.Sf_ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tertiary_struct.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Entry_ID' _Item.ID 5261 _Item.Name '_Tertiary_struct.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tertiary_struct.Tertiary_struct_element_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tertiary_struct.Tertiary_struct_element_list_ID' _Item.ID 5262 _Item.Name '_Tertiary_struct.Tertiary_struct_element_list_ID' _Item.Description ; Pointer to '_Tertiary_struct_element_list.ID' ; _Item.Category_ID 361 _Item.Category_label $Tertiary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Structure_annotation _Category.Sf_category category_description _Category.Sf_framecode Structure_annotation _Category.ID 362 _Category.Name 'Structure_annotation' _category.Description ; Items in the structure_annotation category are used to annotate the characteristics of a reported structure. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 87 _Category.Category_group_name structure_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5265 $_Structure_annotation.Entry_ID '_Structure_annotation.Entry_ID' 5267 $_Structure_annotation.ID '_Structure_annotation.ID' 362 NMR-STAR stop_ save_ save__Structure_annotation.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.Sf_category' _Item.ID 5263 _Item.Name '_Structure_annotation.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_annotation.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.Sf_framecode' _Item.ID 5264 _Item.Name '_Structure_annotation.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Structure_annotation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.Entry_ID' _Item.ID 5265 _Item.Name '_Structure_annotation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_annotation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.Sf_ID' _Item.ID 5266 _Item.Name '_Structure_annotation.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Structure_annotation.ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.ID' _Item.ID 5267 _Item.Name '_Structure_annotation.ID' _Item.Description ; Unique identifier for the list of reported structure annotation information. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Structure_annotation.Name _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.Name' _Item.ID 5268 _Item.Name '_Structure_annotation.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Structure_annotation.PDB_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.PDB_ID' _Item.ID 5269 _Item.Name '_Structure_annotation.PDB_ID' _Item.Description ; PDB entry identifier ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_annotation.DB_queried_date _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.DB_queried_date' _Item.ID 5270 _Item.Name '_Structure_annotation.DB_queried_date' _Item.Description ; Date the database from which the structure annotation was extracted was last queried for new information. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Structure_annotation.DB_source _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.DB_source' _Item.ID 5271 _Item.Name '_Structure_annotation.DB_source' _Item.Description ; Name or acronym for the database the structure annotation information was extracted. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Structure_annotation.DB_electronic_address _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.DB_electronic_address' _Item.ID 5272 _Item.Name '_Structure_annotation.DB_electronic_address' _Item.Description ; URL, email, or other electronic address for the database from which the structure annotation was extracted. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Structure_annotation.DB_source_release_designation _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.DB_source_release_designation' _Item.ID 5273 _Item.Name '_Structure_annotation.DB_source_release_designation' _Item.Description ; Designation used by the external database for releases of the data. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Structure_annotation.DB_source_release_date _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.DB_source_release_date' _Item.ID 5274 _Item.Name '_Structure_annotation.DB_source_release_date' _Item.Description ; Date the database from which the structure annotation was extracted released their data to the public. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'yyyy-mm-dd' save_ save__Structure_annotation.Details _Item.Sf_category item_description _Item.Sf_framecode '_Structure_annotation.Details' _Item.ID 5275 _Item.Name '_Structure_annotation.Details' _Item.Description ; Additional details about the structure annotation contained in the save frame. ; _Item.Category_ID 362 _Item.Category_label $Structure_annotation _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Struct_anno_software _Category.Sf_category category_description _Category.Sf_framecode Struct_anno_software _Category.ID 363 _Category.Name 'Struct_anno_software' _category.Description ; Items in the struct_anno_software category provide links to software used to analyze a set of structure coordinates and generate annotations. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 87 _Category.Category_group_name structure_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5276 $_Struct_anno_software.Software_ID '_Struct_anno_software.Software_ID' 5281 $_Struct_anno_software.Entry_ID '_Struct_anno_software.Entry_ID' 5282 $_Struct_anno_software.Structure_annotation_ID '_Struct_anno_software.Structure_annotation_ID' 363 NMR-STAR stop_ save_ save__Struct_anno_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Software_ID' _Item.ID 5276 _Item.Name '_Struct_anno_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Software_label' _Item.ID 5277 _Item.Name '_Struct_anno_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Struct_anno_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Method_ID' _Item.ID 5278 _Item.Name '_Struct_anno_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Struct_anno_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Method_label' _Item.ID 5279 _Item.Name '_Struct_anno_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Struct_anno_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Sf_ID' _Item.ID 5280 _Item.Name '_Struct_anno_software.Sf_ID' _Item.Description ; Pointer to '_Structure_annotation.Sf_ID' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Entry_ID' _Item.ID 5281 _Item.Name '_Struct_anno_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Struct_anno_software.Structure_annotation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_software.Structure_annotation_ID' _Item.ID 5282 _Item.Name '_Struct_anno_software.Structure_annotation_ID' _Item.Description ; Pointer to '_Structure_annotation.ID' ; _Item.Category_ID 363 _Item.Category_label $Struct_anno_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Struct_classification _Category.Sf_category category_description _Category.Sf_framecode Struct_classification _Category.ID 364 _Category.Name 'Struct_classification' _category.Description ; Items in the struct_classification category provide information about a structures classification according to the guidelines established by community standards. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 87 _Category.Category_group_name structure_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5283 $_Struct_classification.ID '_Struct_classification.ID' 5292 $_Struct_classification.Entry_ID '_Struct_classification.Entry_ID' 5293 $_Struct_classification.Structure_annotation_ID '_Struct_classification.Structure_annotation_ID' 364 NMR-STAR stop_ save_ save__Struct_classification.ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.ID' _Item.ID 5283 _Item.Name '_Struct_classification.ID' _Item.Description ; Unique identifier for the reported structure classification annotation. ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_classification.Code _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Code' _Item.ID 5284 _Item.Name '_Struct_classification.Code' _Item.Description ; Code for the structure classification annotation. ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Struct_classification.Class _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Class' _Item.ID 5285 _Item.Name '_Struct_classification.Class' _Item.Description ; Structure class annotation ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Struct_classification.Fold _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Fold' _Item.ID 5286 _Item.Name '_Struct_classification.Fold' _Item.Description ; Structure fold annotation ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Struct_classification.Superfamily _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Superfamily' _Item.ID 5287 _Item.Name '_Struct_classification.Superfamily' _Item.Description ; Structure super family annotation ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Struct_classification.Family _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Family' _Item.ID 5288 _Item.Name '_Struct_classification.Family' _Item.Description ; Structure family annotation ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Struct_classification.DB_source_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.DB_source_ID' _Item.ID 5289 _Item.Name '_Struct_classification.DB_source_ID' _Item.Description ; The identification code assigned to the structure annotation by the database used as the source of the information. ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Struct_classification.Description _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Description' _Item.ID 5290 _Item.Name '_Struct_classification.Description' _Item.Description ; Additional description for the structure annotation provided by the database that is the source. ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Struct_classification.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Sf_ID' _Item.ID 5291 _Item.Name '_Struct_classification.Sf_ID' _Item.Description ; Pointer to '_Structure_annotation.Sf_ID' ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_classification.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Entry_ID' _Item.ID 5292 _Item.Name '_Struct_classification.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Struct_classification.Structure_annotation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_classification.Structure_annotation_ID' _Item.ID 5293 _Item.Name '_Struct_classification.Structure_annotation_ID' _Item.Description ; Pointer to '_Structure_annotation.ID' ; _Item.Category_ID 364 _Item.Category_label $Struct_classification _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Struct_anno_char _Category.Sf_category category_description _Category.Sf_framecode Struct_anno_char _Category.ID 365 _Category.Name 'Struct_anno_char' _category.Description ; Items in the struct_anno_char category define specific characteristics assigned to a reported structure at the level of residue, fragment, entity, or whole moleccular system. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 87 _Category.Category_group_name structure_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5294 $_Struct_anno_char.ID '_Struct_anno_char.ID' 5309 $_Struct_anno_char.Entry_ID '_Struct_anno_char.Entry_ID' 5310 $_Struct_anno_char.Structure_annotation_ID '_Struct_anno_char.Structure_annotation_ID' 365 NMR-STAR stop_ save_ save__Struct_anno_char.ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.ID' _Item.ID 5294 _Item.Name '_Struct_anno_char.ID' _Item.Description ; Unique identifier for the reported structure annotation. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Atom_site_model_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Atom_site_model_ID' _Item.ID 5295 _Item.Name '_Struct_anno_char.Atom_site_model_ID' _Item.Description ; Pointer to '_Atom_site.Model_ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Assembly_ID' _Item.ID 5296 _Item.Name '_Struct_anno_char.Assembly_ID' _Item.Description ; Pointer to '_Assembly.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Entity_assembly_ID' _Item.ID 5297 _Item.Name '_Struct_anno_char.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Entity_ID' _Item.ID 5298 _Item.Name '_Struct_anno_char.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Comp_index_ID' _Item.ID 5299 _Item.Name '_Struct_anno_char.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Comp_ID' _Item.ID 5300 _Item.Name '_Struct_anno_char.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Struct_anno_char.PDB_strand_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.PDB_strand_ID' _Item.ID 5301 _Item.Name '_Struct_anno_char.PDB_strand_ID' _Item.Description ; PDB strand ID taken from the PDB file ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Struct_anno_char.Secondary_structure_code _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Secondary_structure_code' _Item.ID 5302 _Item.Name '_Struct_anno_char.Secondary_structure_code' _Item.Description ; Code defining the type of secondary structure derived for the defined residue. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Struct_anno_char.Edge_designation _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Edge_designation' _Item.ID 5303 _Item.Name '_Struct_anno_char.Edge_designation' _Item.Description ; Edge designation code defined by the software used to derive the secondary structure information. This code defines if the residue is at the edge of a secondary structure element in the structure or is an internal residue in the secondary structure. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Struct_anno_char.Phi_angle _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Phi_angle' _Item.ID 5304 _Item.Name '_Struct_anno_char.Phi_angle' _Item.Description ; Value for the phi torsion angle calculated from the atomic coordinates. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Struct_anno_char.Psi_angle _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Psi_angle' _Item.ID 5305 _Item.Name '_Struct_anno_char.Psi_angle' _Item.Description ; Value for the psi torsion angle calculated from the atomic coordinates. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Struct_anno_char.Hydrophobicity _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Hydrophobicity' _Item.ID 5306 _Item.Name '_Struct_anno_char.Hydrophobicity' _Item.Description ; Hydrophobicity value for the residue. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Struct_anno_char.Solvent_accessible_surface_area _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Solvent_accessible_surface_area' _Item.ID 5307 _Item.Name '_Struct_anno_char.Solvent_accessible_surface_area' _Item.Description ; Solvent accessible surface area for the residue calculated from the atomic coordinates. ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Struct_anno_char.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Sf_ID' _Item.ID 5308 _Item.Name '_Struct_anno_char.Sf_ID' _Item.Description ; Pointer to '_Structure_annotation.Sf_ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Struct_anno_char.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Entry_ID' _Item.ID 5309 _Item.Name '_Struct_anno_char.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Struct_anno_char.Structure_annotation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Struct_anno_char.Structure_annotation_ID' _Item.ID 5310 _Item.Name '_Struct_anno_char.Structure_annotation_ID' _Item.Description ; Pointer to '_Structure_annotation.ID' ; _Item.Category_ID 365 _Item.Category_label $Struct_anno_char _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Secondary_struct_list _Category.Sf_category category_description _Category.Sf_framecode Secondary_struct_list _Category.ID 366 _Category.Name 'Secondary_struct_list' _category.Description ; Items in the secondary_struct_list category provide information about a list of reported annotations for secondary structural elements found in the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 88 _Category.Category_group_name secondary_structs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5313 $_Secondary_struct_list.Entry_ID '_Secondary_struct_list.Entry_ID' 5315 $_Secondary_struct_list.ID '_Secondary_struct_list.ID' 366 NMR-STAR stop_ save_ save__Secondary_struct_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Sf_category' _Item.ID 5311 _Item.Name '_Secondary_struct_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Secondary_struct_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Sf_framecode' _Item.ID 5312 _Item.Name '_Secondary_struct_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Secondary_struct_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Entry_ID' _Item.ID 5313 _Item.Name '_Secondary_struct_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Secondary_struct_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Sf_ID' _Item.ID 5314 _Item.Name '_Secondary_struct_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Secondary_struct_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.ID' _Item.ID 5315 _Item.Name '_Secondary_struct_list.ID' _Item.Description ; An integer value that uniquely identifies this save frame of secondary structure element data from other save frames of this category in an entry. ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Secondary_struct_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Name' _Item.ID 5316 _Item.Name '_Secondary_struct_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Secondary_struct_list.Representative_conformer_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Representative_conformer_ID' _Item.ID 5317 _Item.Name '_Secondary_struct_list.Representative_conformer_ID' _Item.Description ; Pointer to '_Representative_conformer.ID' ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Secondary_struct_list.Representative_conformer_label _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_list.Representative_conformer_label' _Item.ID 5318 _Item.Name '_Secondary_struct_list.Representative_conformer_label' _Item.Description ; Pointer to a save frame of the category 'representative_conformer' ; _Item.Category_ID 366 _Item.Category_label $Secondary_struct_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save_Secondary_struct_sel _Category.Sf_category category_description _Category.Sf_framecode Secondary_struct_sel _Category.ID 367 _Category.Name 'Secondary_struct_sel' _category.Description ; Items in the secondary_struct_sel category provide pointers to the methods used to identify secondary structure elements in the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 88 _Category.Category_group_name secondary_structs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5319 $_Secondary_struct_sel.Method_ID '_Secondary_struct_sel.Method_ID' 5322 $_Secondary_struct_sel.Entry_ID '_Secondary_struct_sel.Entry_ID' 5323 $_Secondary_struct_sel.Secondary_struct_list_ID '_Secondary_struct_sel.Secondary_struct_list_ID' 367 NMR-STAR stop_ save_ save__Secondary_struct_sel.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_sel.Method_ID' _Item.ID 5319 _Item.Name '_Secondary_struct_sel.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 367 _Item.Category_label $Secondary_struct_sel _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct_sel.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_sel.Method_label' _Item.ID 5320 _Item.Name '_Secondary_struct_sel.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 367 _Item.Category_label $Secondary_struct_sel _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Secondary_struct_sel.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_sel.Sf_ID' _Item.ID 5321 _Item.Name '_Secondary_struct_sel.Sf_ID' _Item.Description ; Pointer to '_Secondary_struct_list.Sf_ID' ; _Item.Category_ID 367 _Item.Category_label $Secondary_struct_sel _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct_sel.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_sel.Entry_ID' _Item.ID 5322 _Item.Name '_Secondary_struct_sel.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 367 _Item.Category_label $Secondary_struct_sel _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Secondary_struct_sel.Secondary_struct_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct_sel.Secondary_struct_list_ID' _Item.ID 5323 _Item.Name '_Secondary_struct_sel.Secondary_struct_list_ID' _Item.Description ; Pointer to '_Secondary_struct_list.ID' ; _Item.Category_ID 367 _Item.Category_label $Secondary_struct_sel _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Secondary_struct _Category.Sf_category category_description _Category.Sf_framecode Secondary_struct _Category.ID 368 _Category.Name 'Secondary_struct' _category.Description ; Items in the secondary_struct category define the types and locations of the secondary structure elements in the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 88 _Category.Category_group_name secondary_structs _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5324 $_Secondary_struct.ID '_Secondary_struct.ID' 5339 $_Secondary_struct.Entry_ID '_Secondary_struct.Entry_ID' 5340 $_Secondary_struct.Secondary_struct_list_ID '_Secondary_struct.Secondary_struct_list_ID' 368 NMR-STAR stop_ save_ save__Secondary_struct.ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.ID' _Item.ID 5324 _Item.Name '_Secondary_struct.ID' _Item.Description ; An integer value that uniquely identifies the reported secondary structure element. ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Conf_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Conf_family_coord_set_ID' _Item.ID 5325 _Item.Name '_Secondary_struct.Conf_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Secondary_struct.Conf_family_coord_set_label _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Conf_family_coord_set_label' _Item.ID 5326 _Item.Name '_Secondary_struct.Conf_family_coord_set_label' _Item.Description ; Pointer to a save frame of the category 'conformer_family' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Secondary_struct.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Entity_assembly_ID' _Item.ID 5327 _Item.Name '_Secondary_struct.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Entity_ID' _Item.ID 5328 _Item.Name '_Secondary_struct.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Comp_index_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Comp_index_ID_start' _Item.ID 5329 _Item.Name '_Secondary_struct.Comp_index_ID_start' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Comp_index_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Comp_index_ID_end' _Item.ID 5330 _Item.Name '_Secondary_struct.Comp_index_ID_end' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Seq_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Seq_ID_start' _Item.ID 5331 _Item.Name '_Secondary_struct.Seq_ID_start' _Item.Description ; Sequence number for the first chemical component in the structure element. Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Seq_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Seq_ID_end' _Item.ID 5332 _Item.Name '_Secondary_struct.Seq_ID_end' _Item.Description ; Sequence number for the Last chemical component in the structure element. Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Auth_seq_ID_start _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Auth_seq_ID_start' _Item.ID 5333 _Item.Name '_Secondary_struct.Auth_seq_ID_start' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Secondary_struct.Auth_seq_ID_end _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Auth_seq_ID_end' _Item.ID 5334 _Item.Name '_Secondary_struct.Auth_seq_ID_end' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Secondary_struct.Name _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Name' _Item.ID 5335 _Item.Name '_Secondary_struct.Name' _Item.Description ; An author defined name for the tertiary structure element. ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Secondary_struct.Code _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Code' _Item.ID 5336 _Item.Name '_Secondary_struct.Code' _Item.Description ; Code defining the type of secondary structure element that is being defined. ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Secondary_struct.Details _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Details' _Item.ID 5337 _Item.Name '_Secondary_struct.Details' _Item.Description ; Text providing additional information concerning the reported secondary structure element. ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Secondary_struct.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Sf_ID' _Item.ID 5338 _Item.Name '_Secondary_struct.Sf_ID' _Item.Description ; Pointer to '_Secondary_struct_list.Sf_ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Secondary_struct.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Entry_ID' _Item.ID 5339 _Item.Name '_Secondary_struct.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Secondary_struct.Secondary_struct_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Secondary_struct.Secondary_struct_list_ID' _Item.ID 5340 _Item.Name '_Secondary_struct.Secondary_struct_list_ID' _Item.Description ; Pointer to '_Secondary_struct_list.ID' ; _Item.Category_ID 368 _Item.Category_label $Secondary_struct _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Bond_annotation_list _Category.Sf_category category_description _Category.Sf_framecode Bond_annotation_list _Category.ID 369 _Category.Name 'Bond_annotation_list' _category.Description ; Items in the bond_annotation_list category provide information about a list of reported bond annotations for the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 89 _Category.Category_group_name bond_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5343 $_Bond_annotation_list.Entry_ID '_Bond_annotation_list.Entry_ID' 5345 $_Bond_annotation_list.ID '_Bond_annotation_list.ID' 369 NMR-STAR stop_ save_ save__Bond_annotation_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.Sf_category' _Item.ID 5341 _Item.Name '_Bond_annotation_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.Sf_framecode' _Item.ID 5342 _Item.Name '_Bond_annotation_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Bond_annotation_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.Entry_ID' _Item.ID 5343 _Item.Name '_Bond_annotation_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.Sf_ID' _Item.ID 5344 _Item.Name '_Bond_annotation_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Bond_annotation_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.ID' _Item.ID 5345 _Item.Name '_Bond_annotation_list.ID' _Item.Description ; Unique identifier for the list of bond annotations. ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Bond_annotation_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.Name' _Item.ID 5346 _Item.Name '_Bond_annotation_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Bond_annotation_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation_list.Details' _Item.ID 5347 _Item.Name '_Bond_annotation_list.Details' _Item.Description ; Text information that provides additional information about a bond. ; _Item.Category_ID 369 _Item.Category_label $Bond_annotation_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Bond_annotation _Category.Sf_category category_description _Category.Sf_framecode Bond_annotation _Category.ID 370 _Category.Name 'Bond_annotation' _category.Description ; Items in the bond_annotation category record additional information describing characteristics of specific bonds in the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 89 _Category.Category_group_name bond_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5348 $_Bond_annotation.ID '_Bond_annotation.ID' 5380 $_Bond_annotation.Entry_ID '_Bond_annotation.Entry_ID' 5381 $_Bond_annotation.Bond_annotation_list_ID '_Bond_annotation.Bond_annotation_list_ID' 370 NMR-STAR stop_ save_ save__Bond_annotation.ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.ID' _Item.ID 5348 _Item.Name '_Bond_annotation.ID' _Item.Description ; Unique identifier for the reported bond annotation. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Bond_annotation.Type _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Type' _Item.ID 5349 _Item.Name '_Bond_annotation.Type' _Item.Description ; A commonly used term that describes the chemical nature of the bond. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Bond_annotation.Type' amide ? 5349 370 NMR-STAR '_Bond_annotation.Type' covalent ? 5349 370 NMR-STAR '_Bond_annotation.Type' directed ? 5349 370 NMR-STAR '_Bond_annotation.Type' disulfide ? 5349 370 NMR-STAR '_Bond_annotation.Type' ester ? 5349 370 NMR-STAR '_Bond_annotation.Type' ether ? 5349 370 NMR-STAR '_Bond_annotation.Type' hydrogen ? 5349 370 NMR-STAR '_Bond_annotation.Type' 'metal coordination' ? 5349 370 NMR-STAR '_Bond_annotation.Type' peptide ? 5349 370 NMR-STAR '_Bond_annotation.Type' thioether ? 5349 370 NMR-STAR '_Bond_annotation.Type' oxime ? 5349 370 NMR-STAR '_Bond_annotation.Type' thioester ? 5349 370 NMR-STAR '_Bond_annotation.Type' phosphoester ? 5349 370 NMR-STAR '_Bond_annotation.Type' phosphodiester ? 5349 370 NMR-STAR '_Bond_annotation.Type' diselenide ? 5349 370 NMR-STAR '_Bond_annotation.Type' na ? 5349 370 NMR-STAR stop_ save_ save__Bond_annotation.Value_order _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Value_order' _Item.ID 5350 _Item.Name '_Bond_annotation.Value_order' _Item.Description ; The order of the defined bond. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Bond_annotation.Value_order' sing 'single bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' doub 'double bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' trip 'triple bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' quad 'quadruple bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' arom 'aromatic bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' poly 'polymeric bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' delo 'delocalized double bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' pi 'pi bond' 5350 370 NMR-STAR '_Bond_annotation.Value_order' directed 'N ->O' 5350 370 NMR-STAR stop_ save_ save__Bond_annotation.Selection_method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Selection_method_ID' _Item.ID 5351 _Item.Name '_Bond_annotation.Selection_method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Assembly_atom_ID_1' _Item.ID 5352 _Item.Name '_Bond_annotation.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Entity_assembly_ID_1' _Item.ID 5353 _Item.Name '_Bond_annotation.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Entity_ID_1' _Item.ID 5354 _Item.Name '_Bond_annotation.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Comp_index_ID_1' _Item.ID 5355 _Item.Name '_Bond_annotation.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Seq_ID_1' _Item.ID 5356 _Item.Name '_Bond_annotation.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Comp_ID_1' _Item.ID 5357 _Item.Name '_Bond_annotation.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Atom_ID_1' _Item.ID 5358 _Item.Name '_Bond_annotation.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Bond_annotation.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Atom_type_1' _Item.ID 5359 _Item.Name '_Bond_annotation.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Atom_isotope_number_1' _Item.ID 5360 _Item.Name '_Bond_annotation.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Assembly_atom_ID_2' _Item.ID 5361 _Item.Name '_Bond_annotation.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Entity_assembly_ID_2' _Item.ID 5362 _Item.Name '_Bond_annotation.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Entity_ID_2' _Item.ID 5363 _Item.Name '_Bond_annotation.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Comp_index_ID_2' _Item.ID 5364 _Item.Name '_Bond_annotation.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Seq_ID_2' _Item.ID 5365 _Item.Name '_Bond_annotation.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Comp_ID_2' _Item.ID 5366 _Item.Name '_Bond_annotation.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Atom_ID_2' _Item.ID 5367 _Item.Name '_Bond_annotation.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Bond_annotation.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Atom_type_2' _Item.ID 5368 _Item.Name '_Bond_annotation.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Atom_isotope_number_2' _Item.ID 5369 _Item.Name '_Bond_annotation.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Details _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Details' _Item.ID 5370 _Item.Name '_Bond_annotation.Details' _Item.Description ; Text description providing additional information about the reported bond. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Bond_annotation.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_entity_assembly_ID_1' _Item.ID 5371 _Item.Name '_Bond_annotation.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_seq_ID_1' _Item.ID 5372 _Item.Name '_Bond_annotation.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond_annotation.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_comp_ID_1' _Item.ID 5373 _Item.Name '_Bond_annotation.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond_annotation.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_atom_ID_1' _Item.ID 5374 _Item.Name '_Bond_annotation.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond_annotation.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_entity_assembly_ID_2' _Item.ID 5375 _Item.Name '_Bond_annotation.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Bond_annotation.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_seq_ID_2' _Item.ID 5376 _Item.Name '_Bond_annotation.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond_annotation.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_comp_ID_2' _Item.ID 5377 _Item.Name '_Bond_annotation.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond_annotation.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Auth_atom_ID_2' _Item.ID 5378 _Item.Name '_Bond_annotation.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Bond_annotation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Sf_ID' _Item.ID 5379 _Item.Name '_Bond_annotation.Sf_ID' _Item.Description ; Pointer to '_Bond_annotation_list.Sf_ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_annotation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Entry_ID' _Item.ID 5380 _Item.Name '_Bond_annotation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_annotation.Bond_annotation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_annotation.Bond_annotation_list_ID' _Item.ID 5381 _Item.Name '_Bond_annotation.Bond_annotation_list_ID' _Item.Description ; Pointer to '_Bond_annotation_list.ID' ; _Item.Category_ID 370 _Item.Category_label $Bond_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Bond_observed_conformer _Category.Sf_category category_description _Category.Sf_framecode Bond_observed_conformer _Category.ID 371 _Category.Name 'Bond_observed_conformer' _category.Description ; Items in the bond_observed_conformer define the individual conformer within a family of conformers where the bond characteristics identified are found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 89 _Category.Category_group_name bond_annotation _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5382 $_Bond_observed_conformer.Bond_annotation_ID '_Bond_observed_conformer.Bond_annotation_ID' 5383 $_Bond_observed_conformer.Conformer_family_coord_set_ID '_Bond_observed_conformer.Conformer_family_coord_set_ID' 5384 $_Bond_observed_conformer.Atom_site_model_ID '_Bond_observed_conformer.Atom_site_model_ID' 5386 $_Bond_observed_conformer.Entry_ID '_Bond_observed_conformer.Entry_ID' 5387 $_Bond_observed_conformer.Bond_annotation_list_ID '_Bond_observed_conformer.Bond_annotation_list_ID' 371 NMR-STAR stop_ save_ save__Bond_observed_conformer.Bond_annotation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_observed_conformer.Bond_annotation_ID' _Item.ID 5382 _Item.Name '_Bond_observed_conformer.Bond_annotation_ID' _Item.Description ; Pointer to '_Bond_annotation.ID' ; _Item.Category_ID 371 _Item.Category_label $Bond_observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_observed_conformer.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_observed_conformer.Conformer_family_coord_set_ID' _Item.ID 5383 _Item.Name '_Bond_observed_conformer.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 371 _Item.Category_label $Bond_observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_observed_conformer.Atom_site_model_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_observed_conformer.Atom_site_model_ID' _Item.ID 5384 _Item.Name '_Bond_observed_conformer.Atom_site_model_ID' _Item.Description ; Pointer to '_Atom_site.Model_ID' ; _Item.Category_ID 371 _Item.Category_label $Bond_observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_observed_conformer.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_observed_conformer.Sf_ID' _Item.ID 5385 _Item.Name '_Bond_observed_conformer.Sf_ID' _Item.Description ; Pointer to '_Bond_annotation_list.Sf_ID' ; _Item.Category_ID 371 _Item.Category_label $Bond_observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Bond_observed_conformer.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_observed_conformer.Entry_ID' _Item.ID 5386 _Item.Name '_Bond_observed_conformer.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 371 _Item.Category_label $Bond_observed_conformer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Bond_observed_conformer.Bond_annotation_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Bond_observed_conformer.Bond_annotation_list_ID' _Item.ID 5387 _Item.Name '_Bond_observed_conformer.Bond_annotation_list_ID' _Item.Description ; Pointer to '_Bond_annotation_list.ID' ; _Item.Category_ID 371 _Item.Category_label $Bond_observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Structure_interaction_list _Category.Sf_category category_description _Category.Sf_framecode Structure_interaction_list _Category.ID 372 _Category.Name 'Structure_interaction_list' _category.Description ; Items in the structure_interaction_list category provide information about a list of reported structure interaction annotations derived from the analysis of tertiary and/or quaternary structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 90 _Category.Category_group_name structure_interactions _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5390 $_Structure_interaction_list.Entry_ID '_Structure_interaction_list.Entry_ID' 5392 $_Structure_interaction_list.ID '_Structure_interaction_list.ID' 372 NMR-STAR stop_ save_ save__Structure_interaction_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.Sf_category' _Item.ID 5388 _Item.Name '_Structure_interaction_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_interaction_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.Sf_framecode' _Item.ID 5389 _Item.Name '_Structure_interaction_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Structure_interaction_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.Entry_ID' _Item.ID 5390 _Item.Name '_Structure_interaction_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_interaction_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.Sf_ID' _Item.ID 5391 _Item.Name '_Structure_interaction_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Structure_interaction_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.ID' _Item.ID 5392 _Item.Name '_Structure_interaction_list.ID' _Item.Description ; Unique identifier for the list of reported structure interactions. ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Structure_interaction_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.Name' _Item.ID 5393 _Item.Name '_Structure_interaction_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Structure_interaction_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction_list.Details' _Item.ID 5394 _Item.Name '_Structure_interaction_list.Details' _Item.Description ; Text description providing additional information about the reported list of structure interactions. ; _Item.Category_ID 372 _Item.Category_label $Structure_interaction_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Structure_interaction _Category.Sf_category category_description _Category.Sf_framecode Structure_interaction _Category.ID 373 _Category.Name 'Structure_interaction' _category.Description ; Items in the structure_interaction category define the types and locations of structural interactions identified in the reported conformers. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 90 _Category.Category_group_name structure_interactions _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5395 $_Structure_interaction.ID '_Structure_interaction.ID' 5424 $_Structure_interaction.Entry_ID '_Structure_interaction.Entry_ID' 5425 $_Structure_interaction.Structure_interaction_list_ID '_Structure_interaction.Structure_interaction_list_ID' 373 NMR-STAR stop_ save_ save__Structure_interaction.ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.ID' _Item.ID 5395 _Item.Name '_Structure_interaction.ID' _Item.Description ; Unique identifier for the reported structural interaction. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Structure_interaction.Type _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Type' _Item.ID 5396 _Item.Name '_Structure_interaction.Type' _Item.Description ; A code defining the type of interaction observed. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Structure_interaction.Selection_method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Selection_method_ID' _Item.ID 5397 _Item.Name '_Structure_interaction.Selection_method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Structure_interaction.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Assembly_atom_ID_1' _Item.ID 5398 _Item.Name '_Structure_interaction.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Structure_interaction.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Entity_assembly_ID_1' _Item.ID 5399 _Item.Name '_Structure_interaction.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Entity_ID_1' _Item.ID 5400 _Item.Name '_Structure_interaction.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Comp_index_ID_1' _Item.ID 5401 _Item.Name '_Structure_interaction.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Seq_ID_1' _Item.ID 5402 _Item.Name '_Structure_interaction.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Comp_ID_1' _Item.ID 5403 _Item.Name '_Structure_interaction.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_interaction.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Atom_ID_1' _Item.ID 5404 _Item.Name '_Structure_interaction.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Structure_interaction.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Atom_type_1' _Item.ID 5405 _Item.Name '_Structure_interaction.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Assembly_atom_ID_2' _Item.ID 5406 _Item.Name '_Structure_interaction.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Structure_interaction.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Entity_assembly_ID_2' _Item.ID 5407 _Item.Name '_Structure_interaction.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Entity_ID_2' _Item.ID 5408 _Item.Name '_Structure_interaction.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Comp_index_ID_2' _Item.ID 5409 _Item.Name '_Structure_interaction.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Seq_ID_2' _Item.ID 5410 _Item.Name '_Structure_interaction.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Comp_ID_2' _Item.ID 5411 _Item.Name '_Structure_interaction.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_interaction.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Atom_ID_2' _Item.ID 5412 _Item.Name '_Structure_interaction.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Structure_interaction.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Atom_type_2' _Item.ID 5413 _Item.Name '_Structure_interaction.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Details _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Details' _Item.ID 5414 _Item.Name '_Structure_interaction.Details' _Item.Description ; Text description providing additional information about the reported structure interaction. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Structure_interaction.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_entity_assembly_ID_1' _Item.ID 5415 _Item.Name '_Structure_interaction.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Structure_interaction.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_seq_ID_1' _Item.ID 5416 _Item.Name '_Structure_interaction.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_comp_ID_1' _Item.ID 5417 _Item.Name '_Structure_interaction.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_atom_ID_1' _Item.ID 5418 _Item.Name '_Structure_interaction.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_entity_assembly_ID_2' _Item.ID 5419 _Item.Name '_Structure_interaction.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Structure_interaction.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_seq_ID_2' _Item.ID 5420 _Item.Name '_Structure_interaction.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_comp_ID_2' _Item.ID 5421 _Item.Name '_Structure_interaction.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Auth_atom_ID_2' _Item.ID 5422 _Item.Name '_Structure_interaction.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Structure_interaction.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Sf_ID' _Item.ID 5423 _Item.Name '_Structure_interaction.Sf_ID' _Item.Description ; Pointer to '_Structure_interaction_list.Sf_ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Structure_interaction.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Entry_ID' _Item.ID 5424 _Item.Name '_Structure_interaction.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Structure_interaction.Structure_interaction_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Structure_interaction.Structure_interaction_list_ID' _Item.ID 5425 _Item.Name '_Structure_interaction.Structure_interaction_list_ID' _Item.Description ; Pointer to '_Structure_interaction_list.ID' ; _Item.Category_ID 373 _Item.Category_label $Structure_interaction _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Observed_conformer _Category.Sf_category category_description _Category.Sf_framecode Observed_conformer _Category.ID 374 _Category.Name 'Observed_conformer' _category.Description ; Items in the observed_conformer category define the individual conformer(s) where the reported interactions are observed. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 90 _Category.Category_group_name structure_interactions _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5426 $_Observed_conformer.Structure_interaction_ID '_Observed_conformer.Structure_interaction_ID' 5427 $_Observed_conformer.Conformer_family_coord_set_ID '_Observed_conformer.Conformer_family_coord_set_ID' 5428 $_Observed_conformer.Atom_site_model_ID '_Observed_conformer.Atom_site_model_ID' 5430 $_Observed_conformer.Entry_ID '_Observed_conformer.Entry_ID' 5431 $_Observed_conformer.Structure_interaction_list_ID '_Observed_conformer.Structure_interaction_list_ID' 374 NMR-STAR stop_ save_ save__Observed_conformer.Structure_interaction_ID _Item.Sf_category item_description _Item.Sf_framecode '_Observed_conformer.Structure_interaction_ID' _Item.ID 5426 _Item.Name '_Observed_conformer.Structure_interaction_ID' _Item.Description ; Pointer to '_Structure_interaction.ID' ; _Item.Category_ID 374 _Item.Category_label $Observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Observed_conformer.Conformer_family_coord_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Observed_conformer.Conformer_family_coord_set_ID' _Item.ID 5427 _Item.Name '_Observed_conformer.Conformer_family_coord_set_ID' _Item.Description ; Pointer to '_Conformer_family_coord_set.ID' ; _Item.Category_ID 374 _Item.Category_label $Observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Observed_conformer.Atom_site_model_ID _Item.Sf_category item_description _Item.Sf_framecode '_Observed_conformer.Atom_site_model_ID' _Item.ID 5428 _Item.Name '_Observed_conformer.Atom_site_model_ID' _Item.Description ; Pointer to '_Atom_site.Model_ID' ; _Item.Category_ID 374 _Item.Category_label $Observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Observed_conformer.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Observed_conformer.Sf_ID' _Item.ID 5429 _Item.Name '_Observed_conformer.Sf_ID' _Item.Description ; Pointer to '_Structure_interaction_list.Sf_ID' ; _Item.Category_ID 374 _Item.Category_label $Observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Observed_conformer.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Observed_conformer.Entry_ID' _Item.ID 5430 _Item.Name '_Observed_conformer.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 374 _Item.Category_label $Observed_conformer _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Observed_conformer.Structure_interaction_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Observed_conformer.Structure_interaction_list_ID' _Item.ID 5431 _Item.Name '_Observed_conformer.Structure_interaction_list_ID' _Item.Description ; Pointer to '_Structure_interaction_list.ID' ; _Item.Category_ID 374 _Item.Category_label $Observed_conformer _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Other_struct_feature_list _Category.Sf_category category_description _Category.Sf_framecode Other_struct_feature_list _Category.ID 375 _Category.Name 'Other_struct_feature_list' _category.Description ; Items in the other_struct_feature_list category provide information about a list of reported structure features for a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 91 _Category.Category_group_name other_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5434 $_Other_struct_feature_list.Entry_ID '_Other_struct_feature_list.Entry_ID' 5436 $_Other_struct_feature_list.ID '_Other_struct_feature_list.ID' 375 NMR-STAR stop_ save_ save__Other_struct_feature_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Sf_category' _Item.ID 5432 _Item.Name '_Other_struct_feature_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_struct_feature_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Sf_framecode' _Item.ID 5433 _Item.Name '_Other_struct_feature_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Other_struct_feature_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Entry_ID' _Item.ID 5434 _Item.Name '_Other_struct_feature_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_struct_feature_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Sf_ID' _Item.ID 5435 _Item.Name '_Other_struct_feature_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Other_struct_feature_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.ID' _Item.ID 5436 _Item.Name '_Other_struct_feature_list.ID' _Item.Description ; Unique identifier for the reported list of structure features. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Other_struct_feature_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Name' _Item.ID 5437 _Item.Name '_Other_struct_feature_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_struct_feature_list.Struct_feature_name _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Struct_feature_name' _Item.ID 5438 _Item.Name '_Other_struct_feature_list.Struct_feature_name' _Item.Description ; Author defined name for the reported structural feature. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Other_struct_feature_list.Struct_feature_definition _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Struct_feature_definition' _Item.ID 5439 _Item.Name '_Other_struct_feature_list.Struct_feature_definition' _Item.Description ; Author provided definition for the reported structural feature. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_struct_feature_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Details' _Item.ID 5440 _Item.Name '_Other_struct_feature_list.Details' _Item.Description ; Text description providing additional information about the reported structure feature. ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Other_struct_feature_list.Selection_method _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature_list.Selection_method' _Item.ID 5441 _Item.Name '_Other_struct_feature_list.Selection_method' _Item.Description ; Method used to identify and define this structure element ; _Item.Category_ID 375 _Item.Category_label $Other_struct_feature_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Other_struct_feature _Category.Sf_category category_description _Category.Sf_framecode Other_struct_feature _Category.ID 376 _Category.Name 'Other_struct_feature' _category.Description ; Items in the other_struct_feature category define the type of structure feature described and its location in the three-dimensional structure reported. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 91 _Category.Category_group_name other_struct_features _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5442 $_Other_struct_feature.ID '_Other_struct_feature.ID' 5449 $_Other_struct_feature.Entry_ID '_Other_struct_feature.Entry_ID' 5450 $_Other_struct_feature.Other_struct_feature_list_ID '_Other_struct_feature.Other_struct_feature_list_ID' 376 NMR-STAR stop_ save_ save__Other_struct_feature.ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.ID' _Item.ID 5442 _Item.Name '_Other_struct_feature.ID' _Item.Description ; Unique identifier for the reported structure feature. ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_struct_feature.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Entity_assembly_ID' _Item.ID 5443 _Item.Name '_Other_struct_feature.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_struct_feature.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Entity_ID' _Item.ID 5444 _Item.Name '_Other_struct_feature.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_struct_feature.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Seq_ID' _Item.ID 5445 _Item.Name '_Other_struct_feature.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_struct_feature.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Auth_seq_ID' _Item.ID 5446 _Item.Name '_Other_struct_feature.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Other_struct_feature.Code _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Code' _Item.ID 5447 _Item.Name '_Other_struct_feature.Code' _Item.Description ; Code used to define the type of structure feature. ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_struct_feature.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Sf_ID' _Item.ID 5448 _Item.Name '_Other_struct_feature.Sf_ID' _Item.Description ; Pointer to '_Other_struct_feature_list.Sf_ID' ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_struct_feature.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Entry_ID' _Item.ID 5449 _Item.Name '_Other_struct_feature.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_struct_feature.Other_struct_feature_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_struct_feature.Other_struct_feature_list_ID' _Item.ID 5450 _Item.Name '_Other_struct_feature.Other_struct_feature_list_ID' _Item.Description ; Pointer to '_Other_struct_feature_list.ID' ; _Item.Category_ID 376 _Item.Category_label $Other_struct_feature _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Tensor_list _Category.Sf_category category_description _Category.Sf_framecode Tensor_list _Category.ID 377 _Category.Name 'Tensor_list' _category.Description ; Items in the tensor_list category are used to describe the tensors listed in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 92 _Category.Category_group_name tensor _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5453 $_Tensor_list.Entry_ID '_Tensor_list.Entry_ID' 5455 $_Tensor_list.ID '_Tensor_list.ID' 377 NMR-STAR stop_ save_ save__Tensor_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Sf_category' _Item.ID 5451 _Item.Name '_Tensor_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tensor_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Sf_framecode' _Item.ID 5452 _Item.Name '_Tensor_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Tensor_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Entry_ID' _Item.ID 5453 _Item.Name '_Tensor_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tensor_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Sf_ID' _Item.ID 5454 _Item.Name '_Tensor_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Tensor_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.ID' _Item.ID 5455 _Item.Name '_Tensor_list.ID' _Item.Description ; Unique identifier for the list of chemical shift tensors. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Tensor_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Name' _Item.ID 5456 _Item.Name '_Tensor_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Data_file_name' _Item.ID 5457 _Item.Name '_Tensor_list.Data_file_name' _Item.Description ; Name of the auxiliary file containing tensor data. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Tensor_type _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Tensor_type' _Item.ID 5458 _Item.Name '_Tensor_list.Tensor_type' _Item.Description ; The type of tensor data reported. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Tensor_list.Tensor_type' diffusion ? 5458 377 NMR-STAR '_Tensor_list.Tensor_type' CS ? 5458 377 NMR-STAR '_Tensor_list.Tensor_type' shielding ? 5458 377 NMR-STAR '_Tensor_list.Tensor_type' alignment ? 5458 377 NMR-STAR stop_ save_ save__Tensor_list.Tensor_shape _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Tensor_shape' _Item.ID 5459 _Item.Name '_Tensor_list.Tensor_shape' _Item.Description ; The shape of the tensor. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Tensor_list.Tensor_shape' sphere ? 5459 377 NMR-STAR '_Tensor_list.Tensor_shape' spheroid ? 5459 377 NMR-STAR '_Tensor_list.Tensor_shape' 'oblate spheroid' ? 5459 377 NMR-STAR '_Tensor_list.Tensor_shape' 'prolate spheroid' ? 5459 377 NMR-STAR '_Tensor_list.Tensor_shape' ellipsoid ? 5459 377 NMR-STAR stop_ save_ save__Tensor_list.Matrix_val_units _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Matrix_val_units' _Item.ID 5460 _Item.Name '_Tensor_list.Matrix_val_units' _Item.Description ; The units for the matrix values. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Tensor_list.Matrix_val_units' s-1 ? 5460 377 NMR-STAR stop_ save_ save__Tensor_list.Isotropic_val_type _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Isotropic_val_type' _Item.ID 5461 _Item.Name '_Tensor_list.Isotropic_val_type' _Item.Description ; The type of isotropic value reported. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Angle_units _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Angle_units' _Item.ID 5462 _Item.Name '_Tensor_list.Angle_units' _Item.Description ; The units for the reported angle. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tensor_list.Isotropic_val_formula _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Isotropic_val_formula' _Item.ID 5463 _Item.Name '_Tensor_list.Isotropic_val_formula' _Item.Description ; The formula for the isotropic value. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Anisotropic_val_formula _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Anisotropic_val_formula' _Item.ID 5464 _Item.Name '_Tensor_list.Anisotropic_val_formula' _Item.Description ; The formula for the anisotropic value. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Rhombic_val_formula _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Rhombic_val_formula' _Item.ID 5465 _Item.Name '_Tensor_list.Rhombic_val_formula' _Item.Description ; The formula for the rhombic value. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Euler_angle_type _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Euler_angle_type' _Item.ID 5466 _Item.Name '_Tensor_list.Euler_angle_type' _Item.Description ; The type of Euler angle reported. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Tensor_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Tensor_list.Details' _Item.ID 5467 _Item.Name '_Tensor_list.Details' _Item.Description ; Text providing additional information regarding the chemical shift tensor list and its derivation. ; _Item.Category_ID 377 _Item.Category_label $Tensor_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Tensor _Category.Sf_category category_description _Category.Sf_framecode Tensor _Category.ID 378 _Category.Name 'Tensor' _category.Description ; Items in the tensor category define one or more tensors. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 92 _Category.Category_group_name tensor _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5468 $_Tensor.ID '_Tensor.ID' 5518 $_Tensor.Entry_ID '_Tensor.Entry_ID' 5519 $_Tensor.Tensor_list_ID '_Tensor.Tensor_list_ID' 378 NMR-STAR stop_ save_ save__Tensor.ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.ID' _Item.ID 5468 _Item.Name '_Tensor.ID' _Item.Description ; Unique identifier for the tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tensor.Interatomic_distance_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Interatomic_distance_list_ID' _Item.ID 5469 _Item.Name '_Tensor.Interatomic_distance_list_ID' _Item.Description ; Pointer to '_Interatomic_dist.Interatomic_distance_list_ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tensor.Interatomic_dist_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Interatomic_dist_set_ID' _Item.ID 5470 _Item.Name '_Tensor.Interatomic_dist_set_ID' _Item.Description ; Pointer to '_Interatomic_dist.Set_ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tensor.Calc_type_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Calc_type_ID' _Item.ID 5471 _Item.Name '_Tensor.Calc_type_ID' _Item.Description ; Pointer to '_Chem_shifts_calc_type.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tensor.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Assembly_atom_ID' _Item.ID 5472 _Item.Name '_Tensor.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tensor.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Entity_assembly_ID' _Item.ID 5473 _Item.Name '_Tensor.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tensor.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Entity_ID' _Item.ID 5474 _Item.Name '_Tensor.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tensor.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Comp_index_ID' _Item.ID 5475 _Item.Name '_Tensor.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tensor.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Seq_ID' _Item.ID 5476 _Item.Name '_Tensor.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tensor.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Comp_ID' _Item.ID 5477 _Item.Name '_Tensor.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tensor.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Atom_ID' _Item.ID 5478 _Item.Name '_Tensor.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Tensor.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Atom_type' _Item.ID 5479 _Item.Name '_Tensor.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tensor.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Atom_isotope_number' _Item.ID 5480 _Item.Name '_Tensor.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Tensor.Axial_sym_axis_polar_angle _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Axial_sym_axis_polar_angle' _Item.ID 5481 _Item.Name '_Tensor.Axial_sym_axis_polar_angle' _Item.Description ; The value for the axial symmetric axis polar angle. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Axial_sym_axis_aximuthal_angle _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Axial_sym_axis_aximuthal_angle' _Item.ID 5482 _Item.Name '_Tensor.Axial_sym_axis_aximuthal_angle' _Item.Description ; The value for the axial symmetric axis aximuthal angle. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Isotropic_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Isotropic_val' _Item.ID 5483 _Item.Name '_Tensor.Isotropic_val' _Item.Description ; The average value of the tensor principal components. This applies to the standard, Herzfeld-Berger, and Haeberlen conventions ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Anisotropic_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Anisotropic_val' _Item.ID 5484 _Item.Name '_Tensor.Anisotropic_val' _Item.Description ; The tensor anisotropy value common to the Haeberlen convention. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Rhombic_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Rhombic_val' _Item.ID 5485 _Item.Name '_Tensor.Rhombic_val' _Item.Description ; The value for the tensor rhombic value. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Herzfeld-Berger_span_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Herzfeld-Berger_span_val' _Item.ID 5486 _Item.Name '_Tensor.Herzfeld-Berger_span_val' _Item.Description ; The maximum width of the powder pattern. The span in the Herzfeld-Berger convention or omega value. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Herzfeld-Berger_mu_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Herzfeld-Berger_mu_val' _Item.ID 5487 _Item.Name '_Tensor.Herzfeld-Berger_mu_val' _Item.Description ; Herzfeld-Berger convention value mu. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Haeberlen_delta_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Haeberlen_delta_val' _Item.ID 5488 _Item.Name '_Tensor.Haeberlen_delta_val' _Item.Description ; Haeberlen convention delta value. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Haeberlen_asymmetry_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Haeberlen_asymmetry_val' _Item.ID 5489 _Item.Name '_Tensor.Haeberlen_asymmetry_val' _Item.Description ; The Haeberlen convention asymmetry value (eta). ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Euler_angle_alpha _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Euler_angle_alpha' _Item.ID 5490 _Item.Name '_Tensor.Euler_angle_alpha' _Item.Description ; The alpha Euler angle. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Euler_angle_beta _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Euler_angle_beta' _Item.ID 5491 _Item.Name '_Tensor.Euler_angle_beta' _Item.Description ; The beta Euler angle. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Euler_angle_gamma _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Euler_angle_gamma' _Item.ID 5492 _Item.Name '_Tensor.Euler_angle_gamma' _Item.Description ; The gamma Euler angle. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Isotropic_comp_1_1_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Isotropic_comp_1_1_val' _Item.ID 5493 _Item.Name '_Tensor.Isotropic_comp_1_1_val' _Item.Description ; By the standard convention, the value of the 1_1 element of the isotropic component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Isotropic_comp_2_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Isotropic_comp_2_2_val' _Item.ID 5494 _Item.Name '_Tensor.Isotropic_comp_2_2_val' _Item.Description ; By the standard convention, the value of the 2_2 element of the isotropic component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Isotropic_comp_3_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Isotropic_comp_3_3_val' _Item.ID 5495 _Item.Name '_Tensor.Isotropic_comp_3_3_val' _Item.Description ; By the standard convention, the value of the 3_3 element of the isotropic component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Anti_sym_comp_1_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Anti_sym_comp_1_2_val' _Item.ID 5496 _Item.Name '_Tensor.Anti_sym_comp_1_2_val' _Item.Description ; The value for the 1_2 element of the anti-symmetric component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Anti_sym_comp_1_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Anti_sym_comp_1_3_val' _Item.ID 5497 _Item.Name '_Tensor.Anti_sym_comp_1_3_val' _Item.Description ; The value for the 1_3 element of the anti-symmetric component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Anti_sym_comp_2_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Anti_sym_comp_2_3_val' _Item.ID 5498 _Item.Name '_Tensor.Anti_sym_comp_2_3_val' _Item.Description ; The value for the 2_3 element of the anti-symmetric component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Sym_traceless_comp_1_1_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Sym_traceless_comp_1_1_val' _Item.ID 5499 _Item.Name '_Tensor.Sym_traceless_comp_1_1_val' _Item.Description ; The value for the 1_1 element of the symmetric traceless component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Sym_traceless_comp_1_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Sym_traceless_comp_1_2_val' _Item.ID 5500 _Item.Name '_Tensor.Sym_traceless_comp_1_2_val' _Item.Description ; The value for the 1_2 element of the symmetric traceless component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Sym_traceless_comp_1_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Sym_traceless_comp_1_3_val' _Item.ID 5501 _Item.Name '_Tensor.Sym_traceless_comp_1_3_val' _Item.Description ; The value for the 1_3 element of the symmetric traceless component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Sym_traceless_comp_2_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Sym_traceless_comp_2_2_val' _Item.ID 5502 _Item.Name '_Tensor.Sym_traceless_comp_2_2_val' _Item.Description ; The value for the 2_2 element of the symmetric traceless component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Sym_traceless_comp_2_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Sym_traceless_comp_2_3_val' _Item.ID 5503 _Item.Name '_Tensor.Sym_traceless_comp_2_3_val' _Item.Description ; The value for the 2_3 element of the symmetric traceless component of the chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_1_1_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_1_1_val' _Item.ID 5504 _Item.Name '_Tensor.Reduceable_matrix_1_1_val' _Item.Description ; The value for the 1_1 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_1_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_1_2_val' _Item.ID 5505 _Item.Name '_Tensor.Reduceable_matrix_1_2_val' _Item.Description ; The value for the 1_2 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_1_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_1_3_val' _Item.ID 5506 _Item.Name '_Tensor.Reduceable_matrix_1_3_val' _Item.Description ; The value for the 1_3 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_2_1_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_2_1_val' _Item.ID 5507 _Item.Name '_Tensor.Reduceable_matrix_2_1_val' _Item.Description ; The value for the 2_1 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_2_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_2_2_val' _Item.ID 5508 _Item.Name '_Tensor.Reduceable_matrix_2_2_val' _Item.Description ; The value for the 2_2 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_2_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_2_3_val' _Item.ID 5509 _Item.Name '_Tensor.Reduceable_matrix_2_3_val' _Item.Description ; The value for the 2_3 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_3_1_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_3_1_val' _Item.ID 5510 _Item.Name '_Tensor.Reduceable_matrix_3_1_val' _Item.Description ; The value for the 3_1 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_3_2_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_3_2_val' _Item.ID 5511 _Item.Name '_Tensor.Reduceable_matrix_3_2_val' _Item.Description ; The value for the 3_2 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Reduceable_matrix_3_3_val _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Reduceable_matrix_3_3_val' _Item.ID 5512 _Item.Name '_Tensor.Reduceable_matrix_3_3_val' _Item.Description ; The value for the 3_3 element of the reduceable chemical shielding tensor. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Tensor.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Auth_entity_assembly_ID' _Item.ID 5513 _Item.Name '_Tensor.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tensor.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Auth_seq_ID' _Item.ID 5514 _Item.Name '_Tensor.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tensor.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Auth_comp_ID' _Item.ID 5515 _Item.Name '_Tensor.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tensor.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Auth_atom_ID' _Item.ID 5516 _Item.Name '_Tensor.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Tensor.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Sf_ID' _Item.ID 5517 _Item.Name '_Tensor.Sf_ID' _Item.Description ; Pointer to '_Tensor_list.Sf_ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Tensor.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Entry_ID' _Item.ID 5518 _Item.Name '_Tensor.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Tensor.Tensor_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Tensor.Tensor_list_ID' _Item.ID 5519 _Item.Name '_Tensor.Tensor_list_ID' _Item.Description ; Pointer to '_Tensor_list.ID' ; _Item.Category_ID 378 _Item.Category_label $Tensor _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Interatomic_distance_list _Category.Sf_category category_description _Category.Sf_framecode Interatomic_distance_list _Category.ID 379 _Category.Name 'Interatomic_distance_list' _category.Description ; Items in the interatomic_distance_list category are used to describe the list of interatomic distance values provided in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 93 _Category.Category_group_name interatomic_distance _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5522 $_Interatomic_distance_list.Entry_ID '_Interatomic_distance_list.Entry_ID' 5524 $_Interatomic_distance_list.ID '_Interatomic_distance_list.ID' 379 NMR-STAR stop_ save_ save__Interatomic_distance_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Sf_category' _Item.ID 5520 _Item.Name '_Interatomic_distance_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Interatomic_distance_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Sf_framecode' _Item.ID 5521 _Item.Name '_Interatomic_distance_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code no _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__Interatomic_distance_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Entry_ID' _Item.ID 5522 _Item.Name '_Interatomic_distance_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Interatomic_distance_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Sf_ID' _Item.ID 5523 _Item.Name '_Interatomic_distance_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Interatomic_distance_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.ID' _Item.ID 5524 _Item.Name '_Interatomic_distance_list.ID' _Item.Description ; Unique identifier for the list of reported interatomic distances. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Interatomic_distance_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Name' _Item.ID 5525 _Item.Name '_Interatomic_distance_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Interatomic_distance_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Data_file_name' _Item.ID 5526 _Item.Name '_Interatomic_distance_list.Data_file_name' _Item.Description ; Name of the file containing interatomic distance data. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Interatomic_distance_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Details' _Item.ID 5527 _Item.Name '_Interatomic_distance_list.Details' _Item.Description ; Text description providing additional information about the reported list of interatomic distances. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Interatomic_distance_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Text_data_format' _Item.ID 5528 _Item.Name '_Interatomic_distance_list.Text_data_format' _Item.Description ; The format for the data provided as text. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Interatomic_distance_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_distance_list.Text_data' _Item.ID 5529 _Item.Name '_Interatomic_distance_list.Text_data' _Item.Description ; A set of interatomic distance data formatted as ASCII text. ; _Item.Category_ID 379 _Item.Category_label $Interatomic_distance_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Interatomic_dist _Category.Sf_category category_description _Category.Sf_framecode Interatomic_dist _Category.ID 380 _Category.Name 'Interatomic_dist' _category.Description ; Items in the interatomic_dist category define the distances between atoms in a structure. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 93 _Category.Category_group_name interatomic_distance _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5530 $_Interatomic_dist.ID '_Interatomic_dist.ID' 5560 $_Interatomic_dist.Entry_ID '_Interatomic_dist.Entry_ID' 5561 $_Interatomic_dist.Interatomic_distance_list_ID '_Interatomic_dist.Interatomic_distance_list_ID' 380 NMR-STAR stop_ save_ save__Interatomic_dist.ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.ID' _Item.ID 5530 _Item.Name '_Interatomic_dist.ID' _Item.Description ; An integer value that uniquely identifies the interatomic distance. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Set_ID' _Item.ID 5531 _Item.Name '_Interatomic_dist.Set_ID' _Item.Description ; An unique identifier that defines a set of interatomic distances. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Interatomic_dist.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Assembly_atom_ID_1' _Item.ID 5532 _Item.Name '_Interatomic_dist.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Interatomic_dist.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Entity_assembly_ID_1' _Item.ID 5533 _Item.Name '_Interatomic_dist.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Entity_ID_1' _Item.ID 5534 _Item.Name '_Interatomic_dist.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Comp_index_ID_1' _Item.ID 5535 _Item.Name '_Interatomic_dist.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Seq_ID_1' _Item.ID 5536 _Item.Name '_Interatomic_dist.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Interatomic_dist.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Comp_ID_1' _Item.ID 5537 _Item.Name '_Interatomic_dist.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Interatomic_dist.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Atom_ID_1' _Item.ID 5538 _Item.Name '_Interatomic_dist.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Interatomic_dist.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Atom_type_1' _Item.ID 5539 _Item.Name '_Interatomic_dist.Atom_type_1' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Assembly_atom_ID_2' _Item.ID 5540 _Item.Name '_Interatomic_dist.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Interatomic_dist.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Entity_assembly_ID_2' _Item.ID 5541 _Item.Name '_Interatomic_dist.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Entity_ID_2' _Item.ID 5542 _Item.Name '_Interatomic_dist.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Comp_index_ID_2' _Item.ID 5543 _Item.Name '_Interatomic_dist.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Seq_ID_2' _Item.ID 5544 _Item.Name '_Interatomic_dist.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Interatomic_dist.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Comp_ID_2' _Item.ID 5545 _Item.Name '_Interatomic_dist.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Interatomic_dist.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Atom_ID_2' _Item.ID 5546 _Item.Name '_Interatomic_dist.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Interatomic_dist.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Atom_type_2' _Item.ID 5547 _Item.Name '_Interatomic_dist.Atom_type_2' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Val _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Val' _Item.ID 5548 _Item.Name '_Interatomic_dist.Val' _Item.Description ; The value for the interatomic distance. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Interatomic_dist.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_asym_ID_1' _Item.ID 5549 _Item.Name '_Interatomic_dist.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value f ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_entity_assembly_ID_1' _Item.ID 5550 _Item.Name '_Interatomic_dist.Auth_entity_assembly_ID_1' _Item.Description ; The identifier assigned by the author to the entity in the assembly. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_seq_ID_1' _Item.ID 5551 _Item.Name '_Interatomic_dist.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_comp_ID_1' _Item.ID 5552 _Item.Name '_Interatomic_dist.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_atom_ID_1' _Item.ID 5553 _Item.Name '_Interatomic_dist.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_asym_ID_2' _Item.ID 5554 _Item.Name '_Interatomic_dist.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value f ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_entity_assembly_ID_2' _Item.ID 5555 _Item.Name '_Interatomic_dist.Auth_entity_assembly_ID_2' _Item.Description ; The identifier assigned by the author to the entity in the assembly. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_seq_ID_2' _Item.ID 5556 _Item.Name '_Interatomic_dist.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_comp_ID_2' _Item.ID 5557 _Item.Name '_Interatomic_dist.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Auth_atom_ID_2' _Item.ID 5558 _Item.Name '_Interatomic_dist.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Interatomic_dist.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Sf_ID' _Item.ID 5559 _Item.Name '_Interatomic_dist.Sf_ID' _Item.Description ; Pointer to '_Interatomic_distance_list.Sf_ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Interatomic_dist.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Entry_ID' _Item.ID 5560 _Item.Name '_Interatomic_dist.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Interatomic_dist.Interatomic_distance_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Interatomic_dist.Interatomic_distance_list_ID' _Item.ID 5561 _Item.Name '_Interatomic_dist.Interatomic_distance_list_ID' _Item.Description ; Pointer to '_Interatomic_distance_list.ID' ; _Item.Category_ID 380 _Item.Category_label $Interatomic_dist _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save_Gen_dist_constraint_list _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_list _Category.ID 381 _Category.Name 'Gen_dist_constraint_list' _category.Description ; Items in the gen_dist_constraint_list category provide information about a list of distance restraints. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5564 $_Gen_dist_constraint_list.Entry_ID '_Gen_dist_constraint_list.Entry_ID' 5566 $_Gen_dist_constraint_list.ID '_Gen_dist_constraint_list.ID' 381 NMR-STAR stop_ save_ save__Gen_dist_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Sf_category' _Item.ID 5562 _Item.Name '_Gen_dist_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Sf_framecode' _Item.ID 5563 _Item.Name '_Gen_dist_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Gen_dist_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Entry_ID' _Item.ID 5564 _Item.Name '_Gen_dist_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Sf_ID' _Item.ID 5565 _Item.Name '_Gen_dist_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Gen_dist_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.ID' _Item.ID 5566 _Item.Name '_Gen_dist_constraint_list.ID' _Item.Description ; Unique identifier for the list of reported distance constraints. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Gen_dist_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Name' _Item.ID 5567 _Item.Name '_Gen_dist_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Gen_dist_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Data_file_name' _Item.ID 5568 _Item.Name '_Gen_dist_constraint_list.Data_file_name' _Item.Description ; Name of the uploaded file that contains the distance constraint data. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Gen_dist_constraint_list.Constraint_type _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Constraint_type' _Item.ID 5569 _Item.Name '_Gen_dist_constraint_list.Constraint_type' _Item.Description ; The type of reported distance constraint. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Gen_dist_constraint_list.Constraint_type' NOE 'Distance constraints determined from NOE experiments' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'NOE build-up' 'Distance constraints determined from a series of NOE experiments with different mixing times' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'NOE not seen' 'Distance constraints supplied when an expected NOE was not observed' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' ROE 'Distance constraints determined from ROE experiments' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'ROE build-up' 'Distance constraints determine from a series of ROE experiments with different mixing times' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'hydrogen bond' 'Hydrogen bond distance constraints' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'disulfide bond' 'Disulfide bond distance constraints' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'paramagnetic relaxation' 'Distance constraints determined from paramagnetic relaxation studies' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' symmetry 'Distance constraint enforces symmetry - for example to enforce symmetry between monomers in a multimer' 5569 381 NMR-STAR '_Gen_dist_constraint_list.Constraint_type' 'general distance' 'Specific distance constraint is not known' 5569 381 NMR-STAR stop_ save_ save__Gen_dist_constraint_list.NEF_constraint_origin _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.NEF_constraint_origin' _Item.ID 5570 _Item.Name '_Gen_dist_constraint_list.NEF_constraint_origin' _Item.Description ; The NEF defined origin of the distance constraint. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Gen_dist_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Constraint_file_ID' _Item.ID 5571 _Item.Name '_Gen_dist_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_list.Potential_type _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Potential_type' _Item.ID 5572 _Item.Name '_Gen_dist_constraint_list.Potential_type' _Item.Description ; The potential type used to model the distance restraints. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Gen_dist_constraint_list.Potential_type' log-harmonic ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' parabolic ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' square-well-parabolic ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' square-well-parabolic-linear ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' upper-bound-parabolic ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' lower-bound-parabolic ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' upper-bound-parabolic-linear ? 5572 381 NMR-STAR '_Gen_dist_constraint_list.Potential_type' lower-bound-parabolic-linear ? 5572 381 NMR-STAR stop_ save_ save__Gen_dist_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Block_ID' _Item.ID 5573 _Item.Name '_Gen_dist_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Details' _Item.ID 5574 _Item.Name '_Gen_dist_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported distance constraints. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Gen_dist_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Text_data_format' _Item.ID 5575 _Item.Name '_Gen_dist_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the distance constraint data as ASCII text in the text block that is the value to the '_Gen_dist_constraint_list.Text_data' tag. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Gen_dist_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_list.Text_data' _Item.ID 5576 _Item.Name '_Gen_dist_constraint_list.Text_data' _Item.Description ; A set of distance constraint data formatted as ASCII text. ; _Item.Category_ID 381 _Item.Category_label $Gen_dist_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Gen_dist_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_expt _Category.ID 382 _Category.Name 'Gen_dist_constraint_expt' _category.Description ; Items in the gen_dist_constraint_expt category define links to the experiments used to generate the data for producing the distance constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5577 $_Gen_dist_constraint_expt.Experiment_ID '_Gen_dist_constraint_expt.Experiment_ID' 5585 $_Gen_dist_constraint_expt.Entry_ID '_Gen_dist_constraint_expt.Entry_ID' 5586 $_Gen_dist_constraint_expt.Gen_dist_constraint_list_ID '_Gen_dist_constraint_expt.Gen_dist_constraint_list_ID' 382 NMR-STAR stop_ save_ save__Gen_dist_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Experiment_ID' _Item.ID 5577 _Item.Name '_Gen_dist_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Experiment_name' _Item.ID 5578 _Item.Name '_Gen_dist_constraint_expt.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Gen_dist_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Method_ID' _Item.ID 5579 _Item.Name '_Gen_dist_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Method_label' _Item.ID 5580 _Item.Name '_Gen_dist_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Gen_dist_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Sample_ID' _Item.ID 5581 _Item.Name '_Gen_dist_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Sample_label' _Item.ID 5582 _Item.Name '_Gen_dist_constraint_expt.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample'. ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Gen_dist_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Sample_state' _Item.ID 5583 _Item.Name '_Gen_dist_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Gen_dist_constraint_expt.Sample_state' isotropic ? 5583 382 NMR-STAR '_Gen_dist_constraint_expt.Sample_state' anisotropic ? 5583 382 NMR-STAR '_Gen_dist_constraint_expt.Sample_state' solid ? 5583 382 NMR-STAR stop_ save_ save__Gen_dist_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Sf_ID' _Item.ID 5584 _Item.Name '_Gen_dist_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Entry_ID' _Item.ID 5585 _Item.Name '_Gen_dist_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_expt.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_expt.Gen_dist_constraint_list_ID' _Item.ID 5586 _Item.Name '_Gen_dist_constraint_expt.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 382 _Item.Category_label $Gen_dist_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint_software _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_software _Category.ID 383 _Category.Name 'Gen_dist_constraint_software' _category.Description ; Items in the gen_dist_constraint_software category provide pointers to the software used to generate the distance constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5587 $_Gen_dist_constraint_software.Software_ID '_Gen_dist_constraint_software.Software_ID' 5592 $_Gen_dist_constraint_software.Entry_ID '_Gen_dist_constraint_software.Entry_ID' 5593 $_Gen_dist_constraint_software.Gen_dist_constraint_list_ID '_Gen_dist_constraint_software.Gen_dist_constraint_list_ID' 383 NMR-STAR stop_ save_ save__Gen_dist_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Software_ID' _Item.ID 5587 _Item.Name '_Gen_dist_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Software_label' _Item.ID 5588 _Item.Name '_Gen_dist_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Gen_dist_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Method_ID' _Item.ID 5589 _Item.Name '_Gen_dist_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Method_label' _Item.ID 5590 _Item.Name '_Gen_dist_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Gen_dist_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Sf_ID' _Item.ID 5591 _Item.Name '_Gen_dist_constraint_software.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Entry_ID' _Item.ID 5592 _Item.Name '_Gen_dist_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_software.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software.Gen_dist_constraint_list_ID' _Item.ID 5593 _Item.Name '_Gen_dist_constraint_software.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 383 _Item.Category_label $Gen_dist_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint_software_param _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_software_param _Category.ID 384 _Category.Name 'Gen_dist_constraint_software_param' _category.Description ; Items in the gen_dist_constraint_software_param category provide a list of parameters and their values used with the software that generated the distance constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5594 $_Gen_dist_constraint_software_param.Software_ID '_Gen_dist_constraint_software_param.Software_ID' 5595 $_Gen_dist_constraint_software_param.Type '_Gen_dist_constraint_software_param.Type' 5599 $_Gen_dist_constraint_software_param.Entry_ID '_Gen_dist_constraint_software_param.Entry_ID' 5600 $_Gen_dist_constraint_software_param.Gen_dist_constraint_list_ID '_Gen_dist_constraint_software_param.Gen_dist_constraint_list_ID' 384 NMR-STAR stop_ save_ save__Gen_dist_constraint_software_param.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Software_ID' _Item.ID 5594 _Item.Name '_Gen_dist_constraint_software_param.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_software_param.Type _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Type' _Item.ID 5595 _Item.Name '_Gen_dist_constraint_software_param.Type' _Item.Description ; A code or name for the parameter in the software package. ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Gen_dist_constraint_software_param.Type' 'averaging method' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'number monomers' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'pseudoatom corrections' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'potential function' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' temperature ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' exponent ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'switch distance' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'asymptote slope' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' B_high ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' ceiling ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'negative offset' ? 5595 384 NMR-STAR '_Gen_dist_constraint_software_param.Type' 'scaling constant' ? 5595 384 NMR-STAR stop_ save_ save__Gen_dist_constraint_software_param.Value _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Value' _Item.ID 5596 _Item.Name '_Gen_dist_constraint_software_param.Value' _Item.Description ; The value assigned to the software parameter, if a single value is appropriate. ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint_software_param.Range _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Range' _Item.ID 5597 _Item.Name '_Gen_dist_constraint_software_param.Range' _Item.Description ; The value range assigned to the software parameter, if range is appropriate. ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint_software_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Sf_ID' _Item.ID 5598 _Item.Name '_Gen_dist_constraint_software_param.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_software_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Entry_ID' _Item.ID 5599 _Item.Name '_Gen_dist_constraint_software_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_software_param.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_software_param.Gen_dist_constraint_list_ID' _Item.ID 5600 _Item.Name '_Gen_dist_constraint_software_param.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 384 _Item.Category_label $Gen_dist_constraint_software_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint _Category.ID 385 _Category.Name 'Gen_dist_constraint' _category.Description ; Items in the gen_dist_constraint category define the atoms associated with a specific distance constraint value. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5601 $_Gen_dist_constraint.Index_ID '_Gen_dist_constraint.Index_ID' 5681 $_Gen_dist_constraint.Entry_ID '_Gen_dist_constraint.Entry_ID' 5682 $_Gen_dist_constraint.Gen_dist_constraint_list_ID '_Gen_dist_constraint.Gen_dist_constraint_list_ID' 385 NMR-STAR stop_ save_ save__Gen_dist_constraint.Index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Index_ID' _Item.ID 5601 _Item.Name '_Gen_dist_constraint.Index_ID' _Item.Description ; Row number for the constraint table. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.ID' _Item.ID 5602 _Item.Name '_Gen_dist_constraint.ID' _Item.Description ; Unique identifier for the reported distance constraint. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Combination_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Combination_ID' _Item.ID 5603 _Item.Name '_Gen_dist_constraint.Combination_ID' _Item.Description ; An identifier for a constraint item combination within a distance constraint. Constraint items with the same Constraint.combination_id must be part of the same constraint. When calculating a constraint they are AND-ed together, while contributions with di ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Member_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Member_ID' _Item.ID 5604 _Item.Name '_Gen_dist_constraint.Member_ID' _Item.Description ; Unique identifier for a member of a constraint defined by the value to the tag '_Gen_dist_constraint.ID'. For distance constraints with ambiguity that is related by a logical operator (or, and, etc.), the constraint will have two or more members. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Member_logic_code _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Member_logic_code' _Item.ID 5605 _Item.Name '_Gen_dist_constraint.Member_logic_code' _Item.Description ; Code that defines the logical relationship (or, and, etc.) between the set of distance constraint members. Every member of the constraint must be assigned a value. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Gen_dist_constraint.Member_logic_code' OR ? 5605 385 NMR-STAR '_Gen_dist_constraint.Member_logic_code' AND ? 5605 385 NMR-STAR stop_ save_ save__Gen_dist_constraint.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Assembly_atom_ID_1' _Item.ID 5606 _Item.Name '_Gen_dist_constraint.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Entity_assembly_ID_1' _Item.ID 5607 _Item.Name '_Gen_dist_constraint.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Entity_ID_1' _Item.ID 5608 _Item.Name '_Gen_dist_constraint.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Comp_index_ID_1' _Item.ID 5609 _Item.Name '_Gen_dist_constraint.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Seq_ID_1' _Item.ID 5610 _Item.Name '_Gen_dist_constraint.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Comp_ID_1' _Item.ID 5611 _Item.Name '_Gen_dist_constraint.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Atom_ID_1' _Item.ID 5612 _Item.Name '_Gen_dist_constraint.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Gen_dist_constraint.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Atom_type_1' _Item.ID 5613 _Item.Name '_Gen_dist_constraint.Atom_type_1' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Atom_isotope_number_1' _Item.ID 5614 _Item.Name '_Gen_dist_constraint.Atom_isotope_number_1' _Item.Description ; The number of combined protons and neutrons for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Resonance_ID_1' _Item.ID 5615 _Item.Name '_Gen_dist_constraint.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Assembly_atom_ID_2' _Item.ID 5616 _Item.Name '_Gen_dist_constraint.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Entity_assembly_ID_2' _Item.ID 5617 _Item.Name '_Gen_dist_constraint.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Entity_ID_2' _Item.ID 5618 _Item.Name '_Gen_dist_constraint.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Comp_index_ID_2' _Item.ID 5619 _Item.Name '_Gen_dist_constraint.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Seq_ID_2' _Item.ID 5620 _Item.Name '_Gen_dist_constraint.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Comp_ID_2' _Item.ID 5621 _Item.Name '_Gen_dist_constraint.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Atom_ID_2' _Item.ID 5622 _Item.Name '_Gen_dist_constraint.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Gen_dist_constraint.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Atom_type_2' _Item.ID 5623 _Item.Name '_Gen_dist_constraint.Atom_type_2' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Atom_isotope_number_2' _Item.ID 5624 _Item.Name '_Gen_dist_constraint.Atom_isotope_number_2' _Item.Description ; The number of combined protons and neutrons for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Resonance_ID_2' _Item.ID 5625 _Item.Name '_Gen_dist_constraint.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Intensity_val _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Intensity_val' _Item.ID 5626 _Item.Name '_Gen_dist_constraint.Intensity_val' _Item.Description ; Intensity val ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Intensity_lower_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Intensity_lower_val_err' _Item.ID 5627 _Item.Name '_Gen_dist_constraint.Intensity_lower_val_err' _Item.Description ; Intensity lower val err ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Intensity_upper_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Intensity_upper_val_err' _Item.ID 5628 _Item.Name '_Gen_dist_constraint.Intensity_upper_val_err' _Item.Description ; Intensity upper val err ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Distance_val _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Distance_val' _Item.ID 5629 _Item.Name '_Gen_dist_constraint.Distance_val' _Item.Description ; A single value assigned to the distance constraint. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Target_val _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Target_val' _Item.ID 5630 _Item.Name '_Gen_dist_constraint.Target_val' _Item.Description ; The target value for the distance constraint value. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Target_val_uncertainty _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Target_val_uncertainty' _Item.ID 5631 _Item.Name '_Gen_dist_constraint.Target_val_uncertainty' _Item.Description ; The uncertainty in the target value for the distance constraint value. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Lower_linear_limit _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Lower_linear_limit' _Item.ID 5632 _Item.Name '_Gen_dist_constraint.Lower_linear_limit' _Item.Description ; The lower limit for the linear distance constraint value. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Upper_linear_limit _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Upper_linear_limit' _Item.ID 5633 _Item.Name '_Gen_dist_constraint.Upper_linear_limit' _Item.Description ; The upper limit for the distance constraint value. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Distance_lower_bound_val _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Distance_lower_bound_val' _Item.ID 5634 _Item.Name '_Gen_dist_constraint.Distance_lower_bound_val' _Item.Description ; The value of the lower bound for the distance constraint. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Distance_upper_bound_val _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Distance_upper_bound_val' _Item.ID 5635 _Item.Name '_Gen_dist_constraint.Distance_upper_bound_val' _Item.Description ; The value of the upper bound for the distance constraint. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Contribution_fractional_val _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Contribution_fractional_val' _Item.ID 5636 _Item.Name '_Gen_dist_constraint.Contribution_fractional_val' _Item.Description ; Fractional contribution of the constraint ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Weight _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Weight' _Item.ID 5637 _Item.Name '_Gen_dist_constraint.Weight' _Item.Description ; The weighting value applied to the distance constraint value. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Gen_dist_constraint.Spectral_peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Spectral_peak_ID' _Item.ID 5638 _Item.Name '_Gen_dist_constraint.Spectral_peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Spectral_peak_list_ID' _Item.ID 5639 _Item.Name '_Gen_dist_constraint.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.PDB_record_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_record_ID_1' _Item.ID 5640 _Item.Name '_Gen_dist_constraint.PDB_record_ID_1' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_model_num_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_model_num_1' _Item.ID 5641 _Item.Name '_Gen_dist_constraint.PDB_model_num_1' _Item.Description ; PDB model number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.PDB_strand_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_strand_ID_1' _Item.ID 5642 _Item.Name '_Gen_dist_constraint.PDB_strand_ID_1' _Item.Description ; PDB strand id. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_ins_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_ins_code_1' _Item.ID 5643 _Item.Name '_Gen_dist_constraint.PDB_ins_code_1' _Item.Description ; PDB insertion code. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_residue_no_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_residue_no_1' _Item.ID 5644 _Item.Name '_Gen_dist_constraint.PDB_residue_no_1' _Item.Description ; PDB residue number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_residue_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_residue_name_1' _Item.ID 5645 _Item.Name '_Gen_dist_constraint.PDB_residue_name_1' _Item.Description ; PDB residue name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_atom_name_1' _Item.ID 5646 _Item.Name '_Gen_dist_constraint.PDB_atom_name_1' _Item.Description ; PDB atom name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_record_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_record_ID_2' _Item.ID 5647 _Item.Name '_Gen_dist_constraint.PDB_record_ID_2' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_model_num_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_model_num_2' _Item.ID 5648 _Item.Name '_Gen_dist_constraint.PDB_model_num_2' _Item.Description ; PDB model number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.PDB_strand_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_strand_ID_2' _Item.ID 5649 _Item.Name '_Gen_dist_constraint.PDB_strand_ID_2' _Item.Description ; PDB strand id. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_ins_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_ins_code_2' _Item.ID 5650 _Item.Name '_Gen_dist_constraint.PDB_ins_code_2' _Item.Description ; PDB insertion code. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_residue_no_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_residue_no_2' _Item.ID 5651 _Item.Name '_Gen_dist_constraint.PDB_residue_no_2' _Item.Description ; PDB residue number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_residue_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_residue_name_2' _Item.ID 5652 _Item.Name '_Gen_dist_constraint.PDB_residue_name_2' _Item.Description ; PDB residue name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.PDB_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.PDB_atom_name_2' _Item.ID 5653 _Item.Name '_Gen_dist_constraint.PDB_atom_name_2' _Item.Description ; PDB atom name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_model_num_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_model_num_1' _Item.ID 5654 _Item.Name '_Gen_dist_constraint.Original_PDB_model_num_1' _Item.Description ; Original PDB model number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Original_PDB_strand_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_strand_ID_1' _Item.ID 5655 _Item.Name '_Gen_dist_constraint.Original_PDB_strand_ID_1' _Item.Description ; Original PDB strand id. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_residue_no_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_residue_no_1' _Item.ID 5656 _Item.Name '_Gen_dist_constraint.Original_PDB_residue_no_1' _Item.Description ; Original PDB residue number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_residue_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_residue_name_1' _Item.ID 5657 _Item.Name '_Gen_dist_constraint.Original_PDB_residue_name_1' _Item.Description ; Original PDB residue name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_atom_name_1' _Item.ID 5658 _Item.Name '_Gen_dist_constraint.Original_PDB_atom_name_1' _Item.Description ; Original PDB atom name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_model_num_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_model_num_2' _Item.ID 5659 _Item.Name '_Gen_dist_constraint.Original_PDB_model_num_2' _Item.Description ; Original PDB model number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Original_PDB_strand_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_strand_ID_2' _Item.ID 5660 _Item.Name '_Gen_dist_constraint.Original_PDB_strand_ID_2' _Item.Description ; Original PDB strand id. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_residue_no_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_residue_no_2' _Item.ID 5661 _Item.Name '_Gen_dist_constraint.Original_PDB_residue_no_2' _Item.Description ; Original PDB residue number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_residue_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_residue_name_2' _Item.ID 5662 _Item.Name '_Gen_dist_constraint.Original_PDB_residue_name_2' _Item.Description ; Original PDB residue name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Original_PDB_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Original_PDB_atom_name_2' _Item.ID 5663 _Item.Name '_Gen_dist_constraint.Original_PDB_atom_name_2' _Item.Description ; Original PDB atom name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_entity_assembly_ID_1' _Item.ID 5664 _Item.Name '_Gen_dist_constraint.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_asym_ID_1' _Item.ID 5665 _Item.Name '_Gen_dist_constraint.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value f ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_chain_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_chain_ID_1' _Item.ID 5666 _Item.Name '_Gen_dist_constraint.Auth_chain_ID_1' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_seq_ID_1' _Item.ID 5667 _Item.Name '_Gen_dist_constraint.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_comp_ID_1' _Item.ID 5668 _Item.Name '_Gen_dist_constraint.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_atom_ID_1' _Item.ID 5669 _Item.Name '_Gen_dist_constraint.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_alt_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_alt_ID_1' _Item.ID 5670 _Item.Name '_Gen_dist_constraint.Auth_alt_ID_1' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_atom_name_1' _Item.ID 5671 _Item.Name '_Gen_dist_constraint.Auth_atom_name_1' _Item.Description ; Author's atom name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Gen_dist_constraint.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_entity_assembly_ID_2' _Item.ID 5672 _Item.Name '_Gen_dist_constraint.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_asym_ID_2' _Item.ID 5673 _Item.Name '_Gen_dist_constraint.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value f ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_chain_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_chain_ID_2' _Item.ID 5674 _Item.Name '_Gen_dist_constraint.Auth_chain_ID_2' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_seq_ID_2' _Item.ID 5675 _Item.Name '_Gen_dist_constraint.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_comp_ID_2' _Item.ID 5676 _Item.Name '_Gen_dist_constraint.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_atom_ID_2' _Item.ID 5677 _Item.Name '_Gen_dist_constraint.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_alt_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_alt_ID_2' _Item.ID 5678 _Item.Name '_Gen_dist_constraint.Auth_alt_ID_2' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Gen_dist_constraint.Auth_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Auth_atom_name_2' _Item.ID 5679 _Item.Name '_Gen_dist_constraint.Auth_atom_name_2' _Item.Description ; Author's atom name. ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Gen_dist_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Sf_ID' _Item.ID 5680 _Item.Name '_Gen_dist_constraint.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Entry_ID' _Item.ID 5681 _Item.Name '_Gen_dist_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint.Gen_dist_constraint_list_ID' _Item.ID 5682 _Item.Name '_Gen_dist_constraint.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 385 _Item.Category_label $Gen_dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint_comment_org _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_comment_org _Category.ID 386 _Category.Name 'Gen_dist_constraint_comment_org' _category.Description ; Items in the gen_dist_constraint_comment_org category provide original comments extracted from constraint files containing distance constraint values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5683 $_Gen_dist_constraint_comment_org.ID '_Gen_dist_constraint_comment_org.ID' 5690 $_Gen_dist_constraint_comment_org.Entry_ID '_Gen_dist_constraint_comment_org.Entry_ID' 5691 $_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID '_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID' 386 NMR-STAR stop_ save_ save__Gen_dist_constraint_comment_org.ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.ID' _Item.ID 5683 _Item.Name '_Gen_dist_constraint_comment_org.ID' _Item.Description ; An integer value that uniquely identifies the comment extracted from the distance constraint file. ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_comment_org.Comment_text _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Comment_text' _Item.ID 5684 _Item.Name '_Gen_dist_constraint_comment_org.Comment_text' _Item.Description ; The text of the comment parsed from the distance constraint file. ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Gen_dist_constraint_comment_org.Comment_begin_line _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Comment_begin_line' _Item.ID 5685 _Item.Name '_Gen_dist_constraint_comment_org.Comment_begin_line' _Item.Description ; The line in the distance constraint file where the comment begins. ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_comment_org.Comment_begin_column _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Comment_begin_column' _Item.ID 5686 _Item.Name '_Gen_dist_constraint_comment_org.Comment_begin_column' _Item.Description ; The column in the distance constraint file where the comment begins. ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_comment_org.Comment_end_line _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Comment_end_line' _Item.ID 5687 _Item.Name '_Gen_dist_constraint_comment_org.Comment_end_line' _Item.Description ; The line in the distance constraint file where the comment ends. ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_comment_org.Comment_end_column _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Comment_end_column' _Item.ID 5688 _Item.Name '_Gen_dist_constraint_comment_org.Comment_end_column' _Item.Description ; The column in the distance constraint file where the comment ends. ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_comment_org.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Sf_ID' _Item.ID 5689 _Item.Name '_Gen_dist_constraint_comment_org.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_comment_org.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Entry_ID' _Item.ID 5690 _Item.Name '_Gen_dist_constraint_comment_org.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID' _Item.ID 5691 _Item.Name '_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 386 _Item.Category_label $Gen_dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint_parse_err _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_parse_err _Category.ID 387 _Category.Name 'Gen_dist_constraint_parse_err' _category.Description ; Items in the gen_dist_constraint_parse_err category define the content and position of a segment of a distance constraint file that could not be parsed into NMR-STAR format. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5692 $_Gen_dist_constraint_parse_err.ID '_Gen_dist_constraint_parse_err.ID' 5699 $_Gen_dist_constraint_parse_err.Entry_ID '_Gen_dist_constraint_parse_err.Entry_ID' 5700 $_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID '_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID' 387 NMR-STAR stop_ save_ save__Gen_dist_constraint_parse_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.ID' _Item.ID 5692 _Item.Name '_Gen_dist_constraint_parse_err.ID' _Item.Description ; An integer value that uniquely identifies the error that occurred in parsing the distance constaint file. ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_err.Content _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.Content' _Item.ID 5693 _Item.Name '_Gen_dist_constraint_parse_err.Content' _Item.Description ; The text content of the parse error. ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Gen_dist_constraint_parse_err.Begin_line _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.Begin_line' _Item.ID 5694 _Item.Name '_Gen_dist_constraint_parse_err.Begin_line' _Item.Description ; The line in the distance constraint file where the parse error began. ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_err.Begin_column _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.Begin_column' _Item.ID 5695 _Item.Name '_Gen_dist_constraint_parse_err.Begin_column' _Item.Description ; The column in the distance constraint file where the parse error began. ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_err.End_line _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.End_line' _Item.ID 5696 _Item.Name '_Gen_dist_constraint_parse_err.End_line' _Item.Description ; The line in the distance constraint file where the parse error ended. ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_err.End_column _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.End_column' _Item.ID 5697 _Item.Name '_Gen_dist_constraint_parse_err.End_column' _Item.Description ; The column in the distance constraint file where the parse error ended. ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.Sf_ID' _Item.ID 5698 _Item.Name '_Gen_dist_constraint_parse_err.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.Entry_ID' _Item.ID 5699 _Item.Name '_Gen_dist_constraint_parse_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID' _Item.ID 5700 _Item.Name '_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 387 _Item.Category_label $Gen_dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint_parse_file _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_parse_file _Category.ID 388 _Category.Name 'Gen_dist_constraint_parse_file' _category.Description ; Items in the gen_dist_constraint_parse_file category define the files parsed to generate the NMR-STAR file. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5701 $_Gen_dist_constraint_parse_file.ID '_Gen_dist_constraint_parse_file.ID' 5704 $_Gen_dist_constraint_parse_file.Entry_ID '_Gen_dist_constraint_parse_file.Entry_ID' 5705 $_Gen_dist_constraint_parse_file.Gen_dist_constraint_list_ID '_Gen_dist_constraint_parse_file.Gen_dist_constraint_list_ID' 388 NMR-STAR stop_ save_ save__Gen_dist_constraint_parse_file.ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_file.ID' _Item.ID 5701 _Item.Name '_Gen_dist_constraint_parse_file.ID' _Item.Description ; An integer that uniquely defines the file from other files in the list. ; _Item.Category_ID 388 _Item.Category_label $Gen_dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Gen_dist_constraint_parse_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_file.Name' _Item.ID 5702 _Item.Name '_Gen_dist_constraint_parse_file.Name' _Item.Description ; Name of the file from which the distance constraints were parsed. ; _Item.Category_ID 388 _Item.Category_label $Gen_dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Gen_dist_constraint_parse_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_file.Sf_ID' _Item.ID 5703 _Item.Name '_Gen_dist_constraint_parse_file.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 388 _Item.Category_label $Gen_dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_parse_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_file.Entry_ID' _Item.ID 5704 _Item.Name '_Gen_dist_constraint_parse_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 388 _Item.Category_label $Gen_dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_parse_file.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_parse_file.Gen_dist_constraint_list_ID' _Item.ID 5705 _Item.Name '_Gen_dist_constraint_parse_file.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 388 _Item.Category_label $Gen_dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Gen_dist_constraint_conv_err _Category.Sf_category category_description _Category.Sf_framecode Gen_dist_constraint_conv_err _Category.ID 389 _Category.Name 'Gen_dist_constraint_conv_err' _category.Description ; Items in the gen_dist_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 94 _Category.Category_group_name general_distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5706 $_Gen_dist_constraint_conv_err.ID '_Gen_dist_constraint_conv_err.ID' 5712 $_Gen_dist_constraint_conv_err.Entry_ID '_Gen_dist_constraint_conv_err.Entry_ID' 5713 $_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID '_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID' 389 NMR-STAR stop_ save_ save__Gen_dist_constraint_conv_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.ID' _Item.ID 5706 _Item.Name '_Gen_dist_constraint_conv_err.ID' _Item.Description ; An integer value that uniquely identifies the conversion error. ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID' _Item.ID 5707 _Item.Name '_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_parse_file.ID' ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Parse_file_constraint_ID' _Item.ID 5708 _Item.Name '_Gen_dist_constraint_conv_err.Parse_file_constraint_ID' _Item.Description ; Identifier for the constraint in the parse file that produced a conversion error. ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_conv_err.Conv_error_type _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Conv_error_type' _Item.ID 5709 _Item.Name '_Gen_dist_constraint_conv_err.Conv_error_type' _Item.Description ; Type of constraint conversion error. ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Gen_dist_constraint_conv_err.Conv_error_note _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Conv_error_note' _Item.ID 5710 _Item.Name '_Gen_dist_constraint_conv_err.Conv_error_note' _Item.Description ; Text providing additional information regarding a converion error. ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Gen_dist_constraint_conv_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Sf_ID' _Item.ID 5711 _Item.Name '_Gen_dist_constraint_conv_err.Sf_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.Sf_ID' ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Gen_dist_constraint_conv_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Entry_ID' _Item.ID 5712 _Item.Name '_Gen_dist_constraint_conv_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID' _Item.ID 5713 _Item.Name '_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID' _Item.Description ; Pointer to '_Gen_dist_constraint_list.ID' ; _Item.Category_ID 389 _Item.Category_label $Gen_dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Distance_constraint_list _Category.Sf_category category_description _Category.Sf_framecode Distance_constraint_list _Category.ID 390 _Category.Name 'Distance_constraint_list' _category.Description ; Items in the distance_constraint_list category provide information about a list of reported distance constraint values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5716 $_Distance_constraint_list.Entry_ID '_Distance_constraint_list.Entry_ID' 5718 $_Distance_constraint_list.ID '_Distance_constraint_list.ID' 390 NMR-STAR stop_ save_ save__Distance_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Sf_category' _Item.ID 5714 _Item.Name '_Distance_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Distance_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Sf_framecode' _Item.ID 5715 _Item.Name '_Distance_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Distance_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Entry_ID' _Item.ID 5716 _Item.Name '_Distance_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Distance_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Sf_ID' _Item.ID 5717 _Item.Name '_Distance_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Distance_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.ID' _Item.ID 5718 _Item.Name '_Distance_constraint_list.ID' _Item.Description ; Unique identifier for the list of reported distance constraints. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Distance_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Name' _Item.ID 5719 _Item.Name '_Distance_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Distance_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Data_file_name' _Item.ID 5720 _Item.Name '_Distance_constraint_list.Data_file_name' _Item.Description ; Name of the uploaded file that contains the distance constraint data. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Distance_constraint_list.Constraint_type _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Constraint_type' _Item.ID 5721 _Item.Name '_Distance_constraint_list.Constraint_type' _Item.Description ; The type of reported distance constraint. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Distance_constraint_list.Constraint_type' NOE 'Distance constraints determined from NOE experiments' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'NOE build-up' 'Distance constraints determined from a series of NOE experiments with different mixing times' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'NOE not seen' 'Distance constraints supplied when an expected NOE was not observed' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' ROE 'Distance constraints determined from ROE experiments' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'ROE build-up' 'Distance constraints determine from a series of ROE experiments with different mixing times' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'hydrogen bond' 'Hydrogen bond distance constraints' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'disulfide bond' 'Disulfide bond distance constraints' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'paramagnetic relaxation' 'Distance constraints determined from paramagnetic relaxation studies' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' symmetry 'Distance constraint enforces symmetry - for example to enforce symmetry between monomers in a multimer' 5721 390 NMR-STAR '_Distance_constraint_list.Constraint_type' 'general distance' 'Specific distance constraint is not known' 5721 390 NMR-STAR stop_ save_ save__Distance_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Constraint_file_ID' _Item.ID 5722 _Item.Name '_Distance_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Distance_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Block_ID' _Item.ID 5723 _Item.Name '_Distance_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Distance_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Details' _Item.ID 5724 _Item.Name '_Distance_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported distance constraints. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Distance_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Text_data_format' _Item.ID 5725 _Item.Name '_Distance_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the distance constraint data as ASCII text in the text block that is the value to the '_Distance_constraint_list.Text_data' tag. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Distance_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_list.Text_data' _Item.ID 5726 _Item.Name '_Distance_constraint_list.Text_data' _Item.Description ; A set of distance constraint data formatted as ASCII text. ; _Item.Category_ID 390 _Item.Category_label $Distance_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Distance_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode Distance_constraint_expt _Category.ID 391 _Category.Name 'Distance_constraint_expt' _category.Description ; Items in the distance_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported distance constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5727 $_Distance_constraint_expt.Experiment_ID '_Distance_constraint_expt.Experiment_ID' 5735 $_Distance_constraint_expt.Entry_ID '_Distance_constraint_expt.Entry_ID' 5736 $_Distance_constraint_expt.Distance_constraint_list_ID '_Distance_constraint_expt.Distance_constraint_list_ID' 391 NMR-STAR stop_ save_ save__Distance_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Experiment_ID' _Item.ID 5727 _Item.Name '_Distance_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Distance_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Experiment_name' _Item.ID 5728 _Item.Name '_Distance_constraint_expt.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Distance_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Method_ID' _Item.ID 5729 _Item.Name '_Distance_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Distance_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Method_label' _Item.ID 5730 _Item.Name '_Distance_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Distance_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Sample_ID' _Item.ID 5731 _Item.Name '_Distance_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Distance_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Sample_label' _Item.ID 5732 _Item.Name '_Distance_constraint_expt.Sample_label' _Item.Description ; Sample(s) used in deriving the data ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Distance_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Sample_state' _Item.ID 5733 _Item.Name '_Distance_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Distance_constraint_expt.Sample_state' isotropic ? 5733 391 NMR-STAR '_Distance_constraint_expt.Sample_state' anisotropic ? 5733 391 NMR-STAR '_Distance_constraint_expt.Sample_state' solid ? 5733 391 NMR-STAR stop_ save_ save__Distance_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Sf_ID' _Item.ID 5734 _Item.Name '_Distance_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Distance_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Entry_ID' _Item.ID 5735 _Item.Name '_Distance_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Distance_constraint_expt.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_expt.Distance_constraint_list_ID' _Item.ID 5736 _Item.Name '_Distance_constraint_expt.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 391 _Item.Category_label $Distance_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Distance_constraint_software _Category.Sf_category category_description _Category.Sf_framecode Distance_constraint_software _Category.ID 392 _Category.Name 'Distance_constraint_software' _category.Description ; Items in the distance_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5737 $_Distance_constraint_software.Software_ID '_Distance_constraint_software.Software_ID' 5742 $_Distance_constraint_software.Entry_ID '_Distance_constraint_software.Entry_ID' 5743 $_Distance_constraint_software.Distance_constraint_list_ID '_Distance_constraint_software.Distance_constraint_list_ID' 392 NMR-STAR stop_ save_ save__Distance_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Software_ID' _Item.ID 5737 _Item.Name '_Distance_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Distance_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Software_label' _Item.ID 5738 _Item.Name '_Distance_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Distance_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Method_ID' _Item.ID 5739 _Item.Name '_Distance_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Distance_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Method_label' _Item.ID 5740 _Item.Name '_Distance_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Distance_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Sf_ID' _Item.ID 5741 _Item.Name '_Distance_constraint_software.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Distance_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Entry_ID' _Item.ID 5742 _Item.Name '_Distance_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Distance_constraint_software.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Distance_constraint_software.Distance_constraint_list_ID' _Item.ID 5743 _Item.Name '_Distance_constraint_software.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 392 _Item.Category_label $Distance_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constr_software_setting _Category.Sf_category category_description _Category.Sf_framecode Dist_constr_software_setting _Category.ID 393 _Category.Name 'Dist_constr_software_setting' _category.Description ; Items in the dist_constr_software_setting category provide a list of parameters and their values used in carrying out a structure calculation with the distance constraints provided. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5744 $_Dist_constr_software_setting.Software_ID '_Dist_constr_software_setting.Software_ID' 5745 $_Dist_constr_software_setting.Type '_Dist_constr_software_setting.Type' 5749 $_Dist_constr_software_setting.Entry_ID '_Dist_constr_software_setting.Entry_ID' 5750 $_Dist_constr_software_setting.Distance_constraint_list_ID '_Dist_constr_software_setting.Distance_constraint_list_ID' 393 NMR-STAR stop_ save_ save__Dist_constr_software_setting.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Software_ID' _Item.ID 5744 _Item.Name '_Dist_constr_software_setting.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constr_software_setting.Type _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Type' _Item.ID 5745 _Item.Name '_Dist_constr_software_setting.Type' _Item.Description ; A code or name for the parameter in the software package. ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Dist_constr_software_setting.Type' 'averaging method' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'number monomers' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'pseudoatom corrections' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'potential function' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' temperature ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' exponent ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'switch distance' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'asymptote slope' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' B_high ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' ceiling ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'negative offset' ? 5745 393 NMR-STAR '_Dist_constr_software_setting.Type' 'scaling constant' ? 5745 393 NMR-STAR stop_ save_ save__Dist_constr_software_setting.Value _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Value' _Item.ID 5746 _Item.Name '_Dist_constr_software_setting.Value' _Item.Description ; The value assigned to the software parameter, if a single value is appropriate. ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constr_software_setting.Range _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Range' _Item.ID 5747 _Item.Name '_Dist_constr_software_setting.Range' _Item.Description ; The value range assigned to the software parameter, if range is appropriate. ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constr_software_setting.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Sf_ID' _Item.ID 5748 _Item.Name '_Dist_constr_software_setting.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constr_software_setting.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Entry_ID' _Item.ID 5749 _Item.Name '_Dist_constr_software_setting.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constr_software_setting.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constr_software_setting.Distance_constraint_list_ID' _Item.ID 5750 _Item.Name '_Dist_constr_software_setting.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 393 _Item.Category_label $Dist_constr_software_setting _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint_tree _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint_tree _Category.ID 394 _Category.Name 'Dist_constraint_tree' _category.Description ; Items in the dist_constraint_tree define the ambiguity in assigning distance constraints to specific atom pairs. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5751 $_Dist_constraint_tree.Constraint_ID '_Dist_constraint_tree.Constraint_ID' 5752 $_Dist_constraint_tree.Node_ID '_Dist_constraint_tree.Node_ID' 5757 $_Dist_constraint_tree.Entry_ID '_Dist_constraint_tree.Entry_ID' 5758 $_Dist_constraint_tree.Distance_constraint_list_ID '_Dist_constraint_tree.Distance_constraint_list_ID' 394 NMR-STAR stop_ save_ save__Dist_constraint_tree.Constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Constraint_ID' _Item.ID 5751 _Item.Name '_Dist_constraint_tree.Constraint_ID' _Item.Description ; Unique identifier for the constraint in the list of constraints contained in one save frame. ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dist_constraint_tree.Node_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Node_ID' _Item.ID 5752 _Item.Name '_Dist_constraint_tree.Node_ID' _Item.Description ; Nodes with logic only do not need to be listed here. Combined atoms into pseudo atoms (e.g. LEU QG for all 6 protons) is preferred to keep this loop limited. ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dist_constraint_tree.Down_node_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Down_node_ID' _Item.ID 5753 _Item.Name '_Dist_constraint_tree.Down_node_ID' _Item.Description ; ID of first sibling down. 0 means no node below. ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_tree.Right_node_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Right_node_ID' _Item.ID 5754 _Item.Name '_Dist_constraint_tree.Right_node_ID' _Item.Description ; ID of another sibling to the right. 0 means no node to the right. ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_tree.Logic_operation _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Logic_operation' _Item.ID 5755 _Item.Name '_Dist_constraint_tree.Logic_operation' _Item.Description ; Name can be given here, and the function in _Function_detail means the node does not have logic information. ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constraint_tree.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Sf_ID' _Item.ID 5756 _Item.Name '_Dist_constraint_tree.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_tree.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Entry_ID' _Item.ID 5757 _Item.Name '_Dist_constraint_tree.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint_tree.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_tree.Distance_constraint_list_ID' _Item.ID 5758 _Item.Name '_Dist_constraint_tree.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 394 _Item.Category_label $Dist_constraint_tree _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint _Category.ID 395 _Category.Name 'Dist_constraint' _category.Description ; Items in the dist_constraint category define the atoms associated with a specific distance constraint value. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5759 $_Dist_constraint.Tree_node_member_constraint_ID '_Dist_constraint.Tree_node_member_constraint_ID' 5760 $_Dist_constraint.Tree_node_member_node_ID '_Dist_constraint.Tree_node_member_node_ID' 5779 $_Dist_constraint.Entry_ID '_Dist_constraint.Entry_ID' 5780 $_Dist_constraint.Distance_constraint_list_ID '_Dist_constraint.Distance_constraint_list_ID' 395 NMR-STAR stop_ save_ save__Dist_constraint.Tree_node_member_constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Tree_node_member_constraint_ID' _Item.ID 5759 _Item.Name '_Dist_constraint.Tree_node_member_constraint_ID' _Item.Description ; Pointer to '_Dist_constraint_tree.Constraint_ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Tree_node_member_node_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Tree_node_member_node_ID' _Item.ID 5760 _Item.Name '_Dist_constraint.Tree_node_member_node_ID' _Item.Description ; Pointer to '_Dist_constraint_tree.Node_ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Contribution_fractional_val _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Contribution_fractional_val' _Item.ID 5761 _Item.Name '_Dist_constraint.Contribution_fractional_val' _Item.Description ; Fractional contribution of the constraint ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint.Constraint_tree_node_member_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Constraint_tree_node_member_ID' _Item.ID 5762 _Item.Name '_Dist_constraint.Constraint_tree_node_member_ID' _Item.Description ; Unique identifier for a member of the constraint node ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Assembly_atom_ID' _Item.ID 5763 _Item.Name '_Dist_constraint.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Entity_assembly_ID' _Item.ID 5764 _Item.Name '_Dist_constraint.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Entity_ID' _Item.ID 5765 _Item.Name '_Dist_constraint.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Comp_index_ID' _Item.ID 5766 _Item.Name '_Dist_constraint.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Seq_ID' _Item.ID 5767 _Item.Name '_Dist_constraint.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Comp_ID' _Item.ID 5768 _Item.Name '_Dist_constraint.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Atom_ID' _Item.ID 5769 _Item.Name '_Dist_constraint.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Dist_constraint.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Atom_type' _Item.ID 5770 _Item.Name '_Dist_constraint.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Atom_isotope_number' _Item.ID 5771 _Item.Name '_Dist_constraint.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Resonance_ID' _Item.ID 5772 _Item.Name '_Dist_constraint.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint.Auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Auth_asym_ID' _Item.ID 5773 _Item.Name '_Dist_constraint.Auth_asym_ID' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value f ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constraint.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Auth_entity_assembly_ID' _Item.ID 5774 _Item.Name '_Dist_constraint.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Auth_seq_ID' _Item.ID 5775 _Item.Name '_Dist_constraint.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constraint.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Auth_comp_ID' _Item.ID 5776 _Item.Name '_Dist_constraint.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constraint.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Auth_atom_ID' _Item.ID 5777 _Item.Name '_Dist_constraint.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Dist_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Sf_ID' _Item.ID 5778 _Item.Name '_Dist_constraint.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Entry_ID' _Item.ID 5779 _Item.Name '_Dist_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint.Distance_constraint_list_ID' _Item.ID 5780 _Item.Name '_Dist_constraint.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 395 _Item.Category_label $Dist_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint_value _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint_value _Category.ID 396 _Category.Name 'Dist_constraint_value' _category.Description ; Items in the dist_constraint_value category define the value and error for the distance constraints used to calculate a three-dimensional molecular structure. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5781 $_Dist_constraint_value.Constraint_ID '_Dist_constraint_value.Constraint_ID' 5782 $_Dist_constraint_value.Tree_node_ID '_Dist_constraint_value.Tree_node_ID' 5793 $_Dist_constraint_value.Entry_ID '_Dist_constraint_value.Entry_ID' 5794 $_Dist_constraint_value.Distance_constraint_list_ID '_Dist_constraint_value.Distance_constraint_list_ID' 396 NMR-STAR stop_ save_ save__Dist_constraint_value.Constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Constraint_ID' _Item.ID 5781 _Item.Name '_Dist_constraint_value.Constraint_ID' _Item.Description ; Pointer to '_Dist_constraint_tree.Constraint_ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_value.Tree_node_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Tree_node_ID' _Item.ID 5782 _Item.Name '_Dist_constraint_value.Tree_node_ID' _Item.Description ; Pointer to '_Dist_constraint_tree.Node_ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_value.Source_experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Source_experiment_ID' _Item.ID 5783 _Item.Name '_Dist_constraint_value.Source_experiment_ID' _Item.Description ; Pointer to '_Experiment.ID'. This value links the reported constraint to the experiment used to derive the data used to define the constraint. ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_value.Spectral_peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Spectral_peak_ID' _Item.ID 5784 _Item.Name '_Dist_constraint_value.Spectral_peak_ID' _Item.Description ; Pointer to '_Peak.ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_value.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Spectral_peak_list_ID' _Item.ID 5785 _Item.Name '_Dist_constraint_value.Spectral_peak_list_ID' _Item.Description ; Pointer to '_Spectral_peak_list.ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_value.Intensity_val _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Intensity_val' _Item.ID 5786 _Item.Name '_Dist_constraint_value.Intensity_val' _Item.Description ; Intensity val ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint_value.Intensity_lower_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Intensity_lower_val_err' _Item.ID 5787 _Item.Name '_Dist_constraint_value.Intensity_lower_val_err' _Item.Description ; Intensity lower val err ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint_value.Intensity_upper_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Intensity_upper_val_err' _Item.ID 5788 _Item.Name '_Dist_constraint_value.Intensity_upper_val_err' _Item.Description ; Intensity upper val err ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint_value.Distance_val _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Distance_val' _Item.ID 5789 _Item.Name '_Dist_constraint_value.Distance_val' _Item.Description ; A single value assigned to the distance constraint. ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint_value.Distance_lower_bound_val _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Distance_lower_bound_val' _Item.ID 5790 _Item.Name '_Dist_constraint_value.Distance_lower_bound_val' _Item.Description ; The value of the lower bound for the distance constraint. ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint_value.Distance_upper_bound_val _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Distance_upper_bound_val' _Item.ID 5791 _Item.Name '_Dist_constraint_value.Distance_upper_bound_val' _Item.Description ; The value of the upper bound for the distance constraint. ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Dist_constraint_value.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Sf_ID' _Item.ID 5792 _Item.Name '_Dist_constraint_value.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_value.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Entry_ID' _Item.ID 5793 _Item.Name '_Dist_constraint_value.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint_value.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_value.Distance_constraint_list_ID' _Item.ID 5794 _Item.Name '_Dist_constraint_value.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 396 _Item.Category_label $Dist_constraint_value _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint_comment_org _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint_comment_org _Category.ID 397 _Category.Name 'Dist_constraint_comment_org' _category.Description ; Items in the dist_constraint_comment_org category provide original comments extracted from constraint files containing distance constraint values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5795 $_Dist_constraint_comment_org.ID '_Dist_constraint_comment_org.ID' 5802 $_Dist_constraint_comment_org.Entry_ID '_Dist_constraint_comment_org.Entry_ID' 5803 $_Dist_constraint_comment_org.Distance_constraint_list_ID '_Dist_constraint_comment_org.Distance_constraint_list_ID' 397 NMR-STAR stop_ save_ save__Dist_constraint_comment_org.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.ID' _Item.ID 5795 _Item.Name '_Dist_constraint_comment_org.ID' _Item.Description ; An integer value that uniquely identifies the comment extracted from the distance constraint file. ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_comment_org.Comment_text _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Comment_text' _Item.ID 5796 _Item.Name '_Dist_constraint_comment_org.Comment_text' _Item.Description ; The text of the comment parsed from the distance constraint file. ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Dist_constraint_comment_org.Comment_begin_line _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Comment_begin_line' _Item.ID 5797 _Item.Name '_Dist_constraint_comment_org.Comment_begin_line' _Item.Description ; The line in the distance constraint file where the comment begins. ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_comment_org.Comment_begin_column _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Comment_begin_column' _Item.ID 5798 _Item.Name '_Dist_constraint_comment_org.Comment_begin_column' _Item.Description ; The column in the distance constraint file where the comment begins. ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_comment_org.Comment_end_line _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Comment_end_line' _Item.ID 5799 _Item.Name '_Dist_constraint_comment_org.Comment_end_line' _Item.Description ; The line in the distance constraint file where the comment ends. ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_comment_org.Comment_end_column _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Comment_end_column' _Item.ID 5800 _Item.Name '_Dist_constraint_comment_org.Comment_end_column' _Item.Description ; The column in the distance constraint file where the comment ends. ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_comment_org.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Sf_ID' _Item.ID 5801 _Item.Name '_Dist_constraint_comment_org.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_comment_org.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Entry_ID' _Item.ID 5802 _Item.Name '_Dist_constraint_comment_org.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint_comment_org.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_comment_org.Distance_constraint_list_ID' _Item.ID 5803 _Item.Name '_Dist_constraint_comment_org.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 397 _Item.Category_label $Dist_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint_parse_err _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint_parse_err _Category.ID 398 _Category.Name 'Dist_constraint_parse_err' _category.Description ; Items in the dist_constraint_parse_err category define the content and position of a segment of a distance constraint file that could not be parsed into NMR-STAR format. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5804 $_Dist_constraint_parse_err.ID '_Dist_constraint_parse_err.ID' 5811 $_Dist_constraint_parse_err.Entry_ID '_Dist_constraint_parse_err.Entry_ID' 5812 $_Dist_constraint_parse_err.Distance_constraint_list_ID '_Dist_constraint_parse_err.Distance_constraint_list_ID' 398 NMR-STAR stop_ save_ save__Dist_constraint_parse_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.ID' _Item.ID 5804 _Item.Name '_Dist_constraint_parse_err.ID' _Item.Description ; An integer value that uniquely identifies the error that occurred in parsing the distance constaint file. ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_parse_err.Content _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.Content' _Item.ID 5805 _Item.Name '_Dist_constraint_parse_err.Content' _Item.Description ; The text content of the parse error. ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Dist_constraint_parse_err.Begin_line _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.Begin_line' _Item.ID 5806 _Item.Name '_Dist_constraint_parse_err.Begin_line' _Item.Description ; The line in the distance constraint file where the parse error began. ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_parse_err.Begin_column _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.Begin_column' _Item.ID 5807 _Item.Name '_Dist_constraint_parse_err.Begin_column' _Item.Description ; The column in the distance constraint file where the parse error began. ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_parse_err.End_line _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.End_line' _Item.ID 5808 _Item.Name '_Dist_constraint_parse_err.End_line' _Item.Description ; The line in the distance constraint file where the parse error ended. ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_parse_err.End_column _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.End_column' _Item.ID 5809 _Item.Name '_Dist_constraint_parse_err.End_column' _Item.Description ; The column in the distance constraint file where the parse error ended. ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Dist_constraint_parse_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.Sf_ID' _Item.ID 5810 _Item.Name '_Dist_constraint_parse_err.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_parse_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.Entry_ID' _Item.ID 5811 _Item.Name '_Dist_constraint_parse_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint_parse_err.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_err.Distance_constraint_list_ID' _Item.ID 5812 _Item.Name '_Dist_constraint_parse_err.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 398 _Item.Category_label $Dist_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint_parse_file _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint_parse_file _Category.ID 399 _Category.Name 'Dist_constraint_parse_file' _category.Description ; Items in the dist_constraint_parse_file category define the files parsed to generate the NMR-STAR file. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5813 $_Dist_constraint_parse_file.ID '_Dist_constraint_parse_file.ID' 5816 $_Dist_constraint_parse_file.Entry_ID '_Dist_constraint_parse_file.Entry_ID' 5817 $_Dist_constraint_parse_file.Distance_constraint_list_ID '_Dist_constraint_parse_file.Distance_constraint_list_ID' 399 NMR-STAR stop_ save_ save__Dist_constraint_parse_file.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_file.ID' _Item.ID 5813 _Item.Name '_Dist_constraint_parse_file.ID' _Item.Description ; An integer that uniquely defines the file from other files in the list. ; _Item.Category_ID 399 _Item.Category_label $Dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Dist_constraint_parse_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_file.Name' _Item.ID 5814 _Item.Name '_Dist_constraint_parse_file.Name' _Item.Description ; Name of the file from which the distance constraints were parsed. ; _Item.Category_ID 399 _Item.Category_label $Dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Dist_constraint_parse_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_file.Sf_ID' _Item.ID 5815 _Item.Name '_Dist_constraint_parse_file.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 399 _Item.Category_label $Dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_parse_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_file.Entry_ID' _Item.ID 5816 _Item.Name '_Dist_constraint_parse_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 399 _Item.Category_label $Dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint_parse_file.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_parse_file.Distance_constraint_list_ID' _Item.ID 5817 _Item.Name '_Dist_constraint_parse_file.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 399 _Item.Category_label $Dist_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Dist_constraint_conv_err _Category.Sf_category category_description _Category.Sf_framecode Dist_constraint_conv_err _Category.ID 400 _Category.Name 'Dist_constraint_conv_err' _category.Description ; Items in the dist_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 95 _Category.Category_group_name distance_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5818 $_Dist_constraint_conv_err.ID '_Dist_constraint_conv_err.ID' 5824 $_Dist_constraint_conv_err.Entry_ID '_Dist_constraint_conv_err.Entry_ID' 5825 $_Dist_constraint_conv_err.Distance_constraint_list_ID '_Dist_constraint_conv_err.Distance_constraint_list_ID' 400 NMR-STAR stop_ save_ save__Dist_constraint_conv_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.ID' _Item.ID 5818 _Item.Name '_Dist_constraint_conv_err.ID' _Item.Description ; An integer value that uniquely identifies the conversion error. ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_conv_err.Dist_constraint_parse_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Dist_constraint_parse_file_ID' _Item.ID 5819 _Item.Name '_Dist_constraint_conv_err.Dist_constraint_parse_file_ID' _Item.Description ; Pointer to '_Dist_constraint_parse_file.ID' ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_conv_err.Parse_file_constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Parse_file_constraint_ID' _Item.ID 5820 _Item.Name '_Dist_constraint_conv_err.Parse_file_constraint_ID' _Item.Description ; Identifier for the constraint in the parse file that produced a conversion error. ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_conv_err.Conv_error_type _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Conv_error_type' _Item.ID 5821 _Item.Name '_Dist_constraint_conv_err.Conv_error_type' _Item.Description ; Type of constraint conversion error. ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Dist_constraint_conv_err.Conv_error_note _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Conv_error_note' _Item.ID 5822 _Item.Name '_Dist_constraint_conv_err.Conv_error_note' _Item.Description ; Text providing additional information regarding a converion error. ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Dist_constraint_conv_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Sf_ID' _Item.ID 5823 _Item.Name '_Dist_constraint_conv_err.Sf_ID' _Item.Description ; Pointer to '_Distance_constraint_list.Sf_ID' ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Dist_constraint_conv_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Entry_ID' _Item.ID 5824 _Item.Name '_Dist_constraint_conv_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Dist_constraint_conv_err.Distance_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Dist_constraint_conv_err.Distance_constraint_list_ID' _Item.ID 5825 _Item.Name '_Dist_constraint_conv_err.Distance_constraint_list_ID' _Item.Description ; Pointer to '_Distance_constraint_list.ID' ; _Item.Category_ID 400 _Item.Category_label $Dist_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Floating_chirality_assign _Category.Sf_category category_description _Category.Sf_framecode Floating_chirality_assign _Category.ID 401 _Category.Name 'Floating_chirality_assign' _category.Description ; Items in the floating_chirality_assign category provide meta data regarding the floating chirality assignments used in calculating a three-dimensional structure. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 96 _Category.Category_group_name floating_chiral_stereo_assign _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5828 $_Floating_chirality_assign.Entry_ID '_Floating_chirality_assign.Entry_ID' 5830 $_Floating_chirality_assign.ID '_Floating_chirality_assign.ID' 401 NMR-STAR stop_ save_ save__Floating_chirality_assign.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Sf_category' _Item.ID 5826 _Item.Name '_Floating_chirality_assign.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality_assign.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Sf_framecode' _Item.ID 5827 _Item.Name '_Floating_chirality_assign.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Floating_chirality_assign.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Entry_ID' _Item.ID 5828 _Item.Name '_Floating_chirality_assign.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality_assign.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Sf_ID' _Item.ID 5829 _Item.Name '_Floating_chirality_assign.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Floating_chirality_assign.ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.ID' _Item.ID 5830 _Item.Name '_Floating_chirality_assign.ID' _Item.Description ; Unique identifier for the reported list of floating chirality stereoassignments. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Floating_chirality_assign.Name _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Name' _Item.ID 5831 _Item.Name '_Floating_chirality_assign.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Floating_chirality_assign.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Data_file_name' _Item.ID 5832 _Item.Name '_Floating_chirality_assign.Data_file_name' _Item.Description ; Name of the file that contains the definitions for the floating chirality assignments. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Floating_chirality_assign.Details _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Details' _Item.ID 5833 _Item.Name '_Floating_chirality_assign.Details' _Item.Description ; Text description providing additional information about the reported floating chirality data. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Floating_chirality_assign.Stereo_count _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Stereo_count' _Item.ID 5834 _Item.Name '_Floating_chirality_assign.Stereo_count' _Item.Description ; Total number of stereo groups in the molecular assembly.. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality_assign.Stereo_assigned_count _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_assign.Stereo_assigned_count' _Item.ID 5835 _Item.Name '_Floating_chirality_assign.Stereo_assigned_count' _Item.Description ; Total number of assigned stereo groups in the molecular assembly. ; _Item.Category_ID 401 _Item.Category_label $Floating_chirality_assign _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Floating_chirality_software _Category.Sf_category category_description _Category.Sf_framecode Floating_chirality_software _Category.ID 402 _Category.Name 'Floating_chirality_software' _category.Description ; Items in the floating_chirality_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 96 _Category.Category_group_name floating_chiral_stereo_assign _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5836 $_Floating_chirality_software.Software_ID '_Floating_chirality_software.Software_ID' 5841 $_Floating_chirality_software.Entry_ID '_Floating_chirality_software.Entry_ID' 5842 $_Floating_chirality_software.Floating_chirality_assign_ID '_Floating_chirality_software.Floating_chirality_assign_ID' 402 NMR-STAR stop_ save_ save__Floating_chirality_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Software_ID' _Item.ID 5836 _Item.Name '_Floating_chirality_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Software_label' _Item.ID 5837 _Item.Name '_Floating_chirality_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Floating_chirality_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Method_ID' _Item.ID 5838 _Item.Name '_Floating_chirality_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Method_label' _Item.ID 5839 _Item.Name '_Floating_chirality_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Floating_chirality_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Sf_ID' _Item.ID 5840 _Item.Name '_Floating_chirality_software.Sf_ID' _Item.Description ; Pointer to '_Floating_chirality_assign.Sf_ID' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Entry_ID' _Item.ID 5841 _Item.Name '_Floating_chirality_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality_software.Floating_chirality_assign_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality_software.Floating_chirality_assign_ID' _Item.ID 5842 _Item.Name '_Floating_chirality_software.Floating_chirality_assign_ID' _Item.Description ; Pointer to '_Floating_chirality_assign.ID' ; _Item.Category_ID 402 _Item.Category_label $Floating_chirality_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Floating_chirality _Category.Sf_category category_description _Category.Sf_framecode Floating_chirality _Category.ID 403 _Category.Name 'Floating_chirality' _category.Description ; Items in the floating_chirality category define the atoms whose chirality was allowed to float in a structure determination. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 96 _Category.Category_group_name floating_chiral_stereo_assign _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5843 $_Floating_chirality.ID '_Floating_chirality.ID' 5874 $_Floating_chirality.Entry_ID '_Floating_chirality.Entry_ID' 5875 $_Floating_chirality.Floating_chirality_assign_ID '_Floating_chirality.Floating_chirality_assign_ID' 403 NMR-STAR stop_ save_ save__Floating_chirality.ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.ID' _Item.ID 5843 _Item.Name '_Floating_chirality.ID' _Item.Description ; Unique identifier for the reported floating chirality stereoassignment. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Assembly_atom_ID_1' _Item.ID 5844 _Item.Name '_Floating_chirality.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Entity_assembly_ID_1' _Item.ID 5845 _Item.Name '_Floating_chirality.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Entity_ID_1' _Item.ID 5846 _Item.Name '_Floating_chirality.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Comp_index_ID_1' _Item.ID 5847 _Item.Name '_Floating_chirality.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Seq_ID_1' _Item.ID 5848 _Item.Name '_Floating_chirality.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Comp_ID_1' _Item.ID 5849 _Item.Name '_Floating_chirality.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Atom_ID_1' _Item.ID 5850 _Item.Name '_Floating_chirality.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Floating_chirality.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Atom_type_1' _Item.ID 5851 _Item.Name '_Floating_chirality.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Resonance_ID_1' _Item.ID 5852 _Item.Name '_Floating_chirality.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Assembly_atom_ID_2' _Item.ID 5853 _Item.Name '_Floating_chirality.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Entity_assembly_ID_2' _Item.ID 5854 _Item.Name '_Floating_chirality.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Entity_ID_2' _Item.ID 5855 _Item.Name '_Floating_chirality.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Comp_index_ID_2' _Item.ID 5856 _Item.Name '_Floating_chirality.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Seq_ID_2' _Item.ID 5857 _Item.Name '_Floating_chirality.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Comp_ID_2' _Item.ID 5858 _Item.Name '_Floating_chirality.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Atom_ID_2' _Item.ID 5859 _Item.Name '_Floating_chirality.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Floating_chirality.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Atom_type_2' _Item.ID 5860 _Item.Name '_Floating_chirality.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Resonance_ID_2' _Item.ID 5861 _Item.Name '_Floating_chirality.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality.Stereospecific_assignment_code _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Stereospecific_assignment_code' _Item.ID 5862 _Item.Name '_Floating_chirality.Stereospecific_assignment_code' _Item.Description ; Code used to define the type of stereospecific assignment. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Floating_chirality.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_asym_ID_1' _Item.ID 5863 _Item.Name '_Floating_chirality.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_entity_assembly_ID_1' _Item.ID 5864 _Item.Name '_Floating_chirality.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_seq_ID_1' _Item.ID 5865 _Item.Name '_Floating_chirality.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_comp_ID_1' _Item.ID 5866 _Item.Name '_Floating_chirality.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_atom_ID_1' _Item.ID 5867 _Item.Name '_Floating_chirality.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_asym_ID_2' _Item.ID 5868 _Item.Name '_Floating_chirality.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_entity_assembly_ID_2' _Item.ID 5869 _Item.Name '_Floating_chirality.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Floating_chirality.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_seq_ID_2' _Item.ID 5870 _Item.Name '_Floating_chirality.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_comp_ID_2' _Item.ID 5871 _Item.Name '_Floating_chirality.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Auth_atom_ID_2' _Item.ID 5872 _Item.Name '_Floating_chirality.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Floating_chirality.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Sf_ID' _Item.ID 5873 _Item.Name '_Floating_chirality.Sf_ID' _Item.Description ; Pointer to '_Floating_chirality_assign.Sf_ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Floating_chirality.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Entry_ID' _Item.ID 5874 _Item.Name '_Floating_chirality.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Floating_chirality.Floating_chirality_assign_ID _Item.Sf_category item_description _Item.Sf_framecode '_Floating_chirality.Floating_chirality_assign_ID' _Item.ID 5875 _Item.Name '_Floating_chirality.Floating_chirality_assign_ID' _Item.Description ; Pointer to '_Floating_chirality_assign.ID' ; _Item.Category_ID 403 _Item.Category_label $Floating_chirality _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Torsion_angle_constraint_list _Category.Sf_category category_description _Category.Sf_framecode Torsion_angle_constraint_list _Category.ID 404 _Category.Name 'Torsion_angle_constraint_list' _category.Description ; Items in the torsion_angle_constraint_list category provide information about a list of reported torsion angle constraint values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5878 $_Torsion_angle_constraint_list.Entry_ID '_Torsion_angle_constraint_list.Entry_ID' 5880 $_Torsion_angle_constraint_list.ID '_Torsion_angle_constraint_list.ID' 404 NMR-STAR stop_ save_ save__Torsion_angle_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Sf_category' _Item.ID 5876 _Item.Name '_Torsion_angle_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Sf_framecode' _Item.ID 5877 _Item.Name '_Torsion_angle_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Entry_ID' _Item.ID 5878 _Item.Name '_Torsion_angle_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Sf_ID' _Item.ID 5879 _Item.Name '_Torsion_angle_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Torsion_angle_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.ID' _Item.ID 5880 _Item.Name '_Torsion_angle_constraint_list.ID' _Item.Description ; Unique identifier for the list of torsion angle constraints. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Torsion_angle_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Name' _Item.ID 5881 _Item.Name '_Torsion_angle_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Torsion_angle_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Data_file_name' _Item.ID 5882 _Item.Name '_Torsion_angle_constraint_list.Data_file_name' _Item.Description ; Name of the file that contains the Torsion angle constraint data. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Torsion_angle_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Constraint_file_ID' _Item.ID 5883 _Item.Name '_Torsion_angle_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint_list.Potential_type _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Potential_type' _Item.ID 5884 _Item.Name '_Torsion_angle_constraint_list.Potential_type' _Item.Description ; The potential type used to model the dihedral constraints. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Torsion_angle_constraint_list.Potential_type' log-harmonic ? 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' parabolic ? 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' square-well-parabolic ? 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' square-well-parabolic-linear ? 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' upper-bound-parabolic 'can be derived from the two-sided versions given above' 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' lower-bound-parabolic 'can be derived from the two-sided versions given above' 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' upper-bound-parabolic-linear 'can be derived from the two-sided versions given above' 5884 404 NMR-STAR '_Torsion_angle_constraint_list.Potential_type' lower-bound-parabolic-linear 'can be derived from the two-sided versions given above' 5884 404 NMR-STAR stop_ save_ save__Torsion_angle_constraint_list.Constraint_type _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Constraint_type' _Item.ID 5885 _Item.Name '_Torsion_angle_constraint_list.Constraint_type' _Item.Description ; The type of the constraints source (e.g. chemical shifts, J coupling constants, noes). ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Torsion_angle_constraint_list.Constraint_type' J-couplings ? 5885 404 NMR-STAR '_Torsion_angle_constraint_list.Constraint_type' 'backbone chemical shifts' ? 5885 404 NMR-STAR stop_ save_ save__Torsion_angle_constraint_list.NEF_constraint_origin _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.NEF_constraint_origin' _Item.ID 5886 _Item.Name '_Torsion_angle_constraint_list.NEF_constraint_origin' _Item.Description ; The NEF defined origin for the torsion or dihedral angle constraint. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Torsion_angle_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Block_ID' _Item.ID 5887 _Item.Name '_Torsion_angle_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Details' _Item.ID 5888 _Item.Name '_Torsion_angle_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported torsion angle constraints. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Torsion_angle_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Text_data_format' _Item.ID 5889 _Item.Name '_Torsion_angle_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the torsion angle constraint data as ASCII text in the text block that is the value to the '_Torsion_angle_constraint_list.Text_data' tag. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Torsion_angle_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_list.Text_data' _Item.ID 5890 _Item.Name '_Torsion_angle_constraint_list.Text_data' _Item.Description ; A set of torsion angle constraint data formatted as ASCII text. ; _Item.Category_ID 404 _Item.Category_label $Torsion_angle_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Torsion_angle_constraints_expt _Category.Sf_category category_description _Category.Sf_framecode Torsion_angle_constraints_expt _Category.ID 405 _Category.Name 'Torsion_angle_constraints_expt' _category.Description ; Items in the torsion_angle_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported torsion angle constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5891 $_Torsion_angle_constraints_expt.Experiment_ID '_Torsion_angle_constraints_expt.Experiment_ID' 5899 $_Torsion_angle_constraints_expt.Entry_ID '_Torsion_angle_constraints_expt.Entry_ID' 5900 $_Torsion_angle_constraints_expt.Torsion_angle_constraint_list_ID '_Torsion_angle_constraints_expt.Torsion_angle_constraint_list_ID' 405 NMR-STAR stop_ save_ save__Torsion_angle_constraints_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Experiment_ID' _Item.ID 5891 _Item.Name '_Torsion_angle_constraints_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraints_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Experiment_name' _Item.ID 5892 _Item.Name '_Torsion_angle_constraints_expt.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Torsion_angle_constraints_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Method_ID' _Item.ID 5893 _Item.Name '_Torsion_angle_constraints_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraints_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Method_label' _Item.ID 5894 _Item.Name '_Torsion_angle_constraints_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Torsion_angle_constraints_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Sample_ID' _Item.ID 5895 _Item.Name '_Torsion_angle_constraints_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraints_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Sample_label' _Item.ID 5896 _Item.Name '_Torsion_angle_constraints_expt.Sample_label' _Item.Description ; Sample(s) used in deriving the data ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Torsion_angle_constraints_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Sample_state' _Item.ID 5897 _Item.Name '_Torsion_angle_constraints_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Torsion_angle_constraints_expt.Sample_state' isotropic ? 5897 405 NMR-STAR '_Torsion_angle_constraints_expt.Sample_state' anisotropic ? 5897 405 NMR-STAR '_Torsion_angle_constraints_expt.Sample_state' solid ? 5897 405 NMR-STAR stop_ save_ save__Torsion_angle_constraints_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Sf_ID' _Item.ID 5898 _Item.Name '_Torsion_angle_constraints_expt.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraints_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Entry_ID' _Item.ID 5899 _Item.Name '_Torsion_angle_constraints_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraints_expt.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraints_expt.Torsion_angle_constraint_list_ID' _Item.ID 5900 _Item.Name '_Torsion_angle_constraints_expt.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 405 _Item.Category_label $Torsion_angle_constraints_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Torsion_angle_constraint_software _Category.Sf_category category_description _Category.Sf_framecode Torsion_angle_constraint_software _Category.ID 406 _Category.Name 'Torsion_angle_constraint_software' _category.Description ; Items in the torsion_angle_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5901 $_Torsion_angle_constraint_software.Software_ID '_Torsion_angle_constraint_software.Software_ID' 5906 $_Torsion_angle_constraint_software.Entry_ID '_Torsion_angle_constraint_software.Entry_ID' 5907 $_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID '_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID' 406 NMR-STAR stop_ save_ save__Torsion_angle_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Software_ID' _Item.ID 5901 _Item.Name '_Torsion_angle_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Software_label' _Item.ID 5902 _Item.Name '_Torsion_angle_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Torsion_angle_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Method_ID' _Item.ID 5903 _Item.Name '_Torsion_angle_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Method_label' _Item.ID 5904 _Item.Name '_Torsion_angle_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Torsion_angle_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Sf_ID' _Item.ID 5905 _Item.Name '_Torsion_angle_constraint_software.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Entry_ID' _Item.ID 5906 _Item.Name '_Torsion_angle_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID' _Item.ID 5907 _Item.Name '_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 406 _Item.Category_label $Torsion_angle_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Karplus_equation _Category.Sf_category category_description _Category.Sf_framecode Karplus_equation _Category.ID 407 _Category.Name 'Karplus_equation' _category.Description ; Items in the Karplus_equation category define the Karplus equation used to convert coupling constant values into torsion angle values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5908 $_Karplus_equation.Torsion_angle_code '_Karplus_equation.Torsion_angle_code' 5912 $_Karplus_equation.Entry_ID '_Karplus_equation.Entry_ID' 5913 $_Karplus_equation.Torsion_angle_constraint_list_ID '_Karplus_equation.Torsion_angle_constraint_list_ID' 407 NMR-STAR stop_ save_ save__Karplus_equation.Torsion_angle_code _Item.Sf_category item_description _Item.Sf_framecode '_Karplus_equation.Torsion_angle_code' _Item.ID 5908 _Item.Name '_Karplus_equation.Torsion_angle_code' _Item.Description ; A code used to define the type of torsion angle. ; _Item.Category_ID 407 _Item.Category_label $Karplus_equation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Karplus_equation.Citation_ID _Item.Sf_category item_description _Item.Sf_framecode '_Karplus_equation.Citation_ID' _Item.ID 5909 _Item.Name '_Karplus_equation.Citation_ID' _Item.Description ; Pointer to '_Citation.ID' ; _Item.Category_ID 407 _Item.Category_label $Karplus_equation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Karplus_equation.Citation_label _Item.Sf_category item_description _Item.Sf_framecode '_Karplus_equation.Citation_label' _Item.ID 5910 _Item.Name '_Karplus_equation.Citation_label' _Item.Description ; Pointer to a save frame of the category 'citation' ; _Item.Category_ID 407 _Item.Category_label $Karplus_equation _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Karplus_equation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Karplus_equation.Sf_ID' _Item.ID 5911 _Item.Name '_Karplus_equation.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 407 _Item.Category_label $Karplus_equation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Karplus_equation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Karplus_equation.Entry_ID' _Item.ID 5912 _Item.Name '_Karplus_equation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 407 _Item.Category_label $Karplus_equation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Karplus_equation.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Karplus_equation.Torsion_angle_constraint_list_ID' _Item.ID 5913 _Item.Name '_Karplus_equation.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 407 _Item.Category_label $Karplus_equation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Torsion_angle_constraint _Category.Sf_category category_description _Category.Sf_framecode Torsion_angle_constraint _Category.ID 408 _Category.Name 'Torsion_angle_constraint' _category.Description ; Items in the torsion_angle_constraint category describe the derived torsion angle constraints used to calculate the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 5915 $_Torsion_angle_constraint.ID '_Torsion_angle_constraint.ID' 6025 $_Torsion_angle_constraint.Entry_ID '_Torsion_angle_constraint.Entry_ID' 6026 $_Torsion_angle_constraint.Torsion_angle_constraint_list_ID '_Torsion_angle_constraint.Torsion_angle_constraint_list_ID' 408 NMR-STAR stop_ save_ save__Torsion_angle_constraint.Index_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Index_ID' _Item.ID 5914 _Item.Name '_Torsion_angle_constraint.Index_ID' _Item.Description ; Unique identifier for the row in the torsion angle constraint value table. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.ID' _Item.ID 5915 _Item.Name '_Torsion_angle_constraint.ID' _Item.Description ; Unique identifier for the reported torsion angle constraint. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Combination_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Combination_ID' _Item.ID 5916 _Item.Name '_Torsion_angle_constraint.Combination_ID' _Item.Description ; An identifier for a constraint item combination within a dihedral constraint. Constraint items with the same constraint_.Combination_id must be part of the same constraint. When calculating a constraint they are AND-ed together, while contributions with d ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Set_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Set_ID' _Item.ID 5917 _Item.Name '_Torsion_angle_constraint.Set_ID' _Item.Description ; An optional identifier used to group two or more constraints. One application would be in defining multiple sets of phi-psi angle constraints for a single residue. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Torsion_angle_name _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Torsion_angle_name' _Item.ID 5918 _Item.Name '_Torsion_angle_constraint.Torsion_angle_name' _Item.Description ; The name of the torsion angle constrained. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Assembly_atom_ID_1' _Item.ID 5919 _Item.Name '_Torsion_angle_constraint.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_assembly_ID_1' _Item.ID 5920 _Item.Name '_Torsion_angle_constraint.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_ID_1' _Item.ID 5921 _Item.Name '_Torsion_angle_constraint.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_index_ID_1' _Item.ID 5922 _Item.Name '_Torsion_angle_constraint.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Seq_ID_1' _Item.ID 5923 _Item.Name '_Torsion_angle_constraint.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_ID_1' _Item.ID 5924 _Item.Name '_Torsion_angle_constraint.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_ID_1' _Item.ID 5925 _Item.Name '_Torsion_angle_constraint.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_type_1' _Item.ID 5926 _Item.Name '_Torsion_angle_constraint.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Resonance_ID_1' _Item.ID 5927 _Item.Name '_Torsion_angle_constraint.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Assembly_atom_ID_2' _Item.ID 5928 _Item.Name '_Torsion_angle_constraint.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_assembly_ID_2' _Item.ID 5929 _Item.Name '_Torsion_angle_constraint.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_ID_2' _Item.ID 5930 _Item.Name '_Torsion_angle_constraint.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_index_ID_2' _Item.ID 5931 _Item.Name '_Torsion_angle_constraint.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Seq_ID_2' _Item.ID 5932 _Item.Name '_Torsion_angle_constraint.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_ID_2' _Item.ID 5933 _Item.Name '_Torsion_angle_constraint.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_ID_2' _Item.ID 5934 _Item.Name '_Torsion_angle_constraint.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_type_2' _Item.ID 5935 _Item.Name '_Torsion_angle_constraint.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Resonance_ID_2' _Item.ID 5936 _Item.Name '_Torsion_angle_constraint.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Assembly_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Assembly_atom_ID_3' _Item.ID 5937 _Item.Name '_Torsion_angle_constraint.Assembly_atom_ID_3' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_assembly_ID_3' _Item.ID 5938 _Item.Name '_Torsion_angle_constraint.Entity_assembly_ID_3' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_ID_3' _Item.ID 5939 _Item.Name '_Torsion_angle_constraint.Entity_ID_3' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_index_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_index_ID_3' _Item.ID 5940 _Item.Name '_Torsion_angle_constraint.Comp_index_ID_3' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Seq_ID_3' _Item.ID 5941 _Item.Name '_Torsion_angle_constraint.Seq_ID_3' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_ID_3' _Item.ID 5942 _Item.Name '_Torsion_angle_constraint.Comp_ID_3' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_ID_3' _Item.ID 5943 _Item.Name '_Torsion_angle_constraint.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Atom_type_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_type_3' _Item.ID 5944 _Item.Name '_Torsion_angle_constraint.Atom_type_3' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Resonance_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Resonance_ID_3' _Item.ID 5945 _Item.Name '_Torsion_angle_constraint.Resonance_ID_3' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Assembly_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Assembly_atom_ID_4' _Item.ID 5946 _Item.Name '_Torsion_angle_constraint.Assembly_atom_ID_4' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_assembly_ID_4' _Item.ID 5947 _Item.Name '_Torsion_angle_constraint.Entity_assembly_ID_4' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entity_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entity_ID_4' _Item.ID 5948 _Item.Name '_Torsion_angle_constraint.Entity_ID_4' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_index_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_index_ID_4' _Item.ID 5949 _Item.Name '_Torsion_angle_constraint.Comp_index_ID_4' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Seq_ID_4' _Item.ID 5950 _Item.Name '_Torsion_angle_constraint.Seq_ID_4' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Comp_ID_4' _Item.ID 5951 _Item.Name '_Torsion_angle_constraint.Comp_ID_4' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_ID_4' _Item.ID 5952 _Item.Name '_Torsion_angle_constraint.Atom_ID_4' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Atom_type_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Atom_type_4' _Item.ID 5953 _Item.Name '_Torsion_angle_constraint.Atom_type_4' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Resonance_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Resonance_ID_4' _Item.ID 5954 _Item.Name '_Torsion_angle_constraint.Resonance_ID_4' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Angle_lower_bound_val _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Angle_lower_bound_val' _Item.ID 5955 _Item.Name '_Torsion_angle_constraint.Angle_lower_bound_val' _Item.Description ; Value for the lower bound on the torsion angle constraint. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Angle_upper_bound_val _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Angle_upper_bound_val' _Item.ID 5956 _Item.Name '_Torsion_angle_constraint.Angle_upper_bound_val' _Item.Description ; Value for the upper bound on the torsion angle constraint. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Angle_target_val _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Angle_target_val' _Item.ID 5957 _Item.Name '_Torsion_angle_constraint.Angle_target_val' _Item.Description ; The target value for this dihedral constraint. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Angle_target_val_err _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Angle_target_val_err' _Item.ID 5958 _Item.Name '_Torsion_angle_constraint.Angle_target_val_err' _Item.Description ; The uncertainty in the target value for this dihedral constraint. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Angle_lower_linear_limit _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Angle_lower_linear_limit' _Item.ID 5959 _Item.Name '_Torsion_angle_constraint.Angle_lower_linear_limit' _Item.Description ; The lower limit for the linear dihedral constraint value. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Angle_upper_linear_limit _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Angle_upper_linear_limit' _Item.ID 5960 _Item.Name '_Torsion_angle_constraint.Angle_upper_linear_limit' _Item.Description ; The upper limit for the linear dihedral constraint value. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Weight _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Weight' _Item.ID 5961 _Item.Name '_Torsion_angle_constraint.Weight' _Item.Description ; The weighting value applied to this dihedral constraint. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Torsion_angle_constraint.Source_experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Source_experiment_ID' _Item.ID 5962 _Item.Name '_Torsion_angle_constraint.Source_experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Figure_of_merit _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Figure_of_merit' _Item.ID 5963 _Item.Name '_Torsion_angle_constraint.Figure_of_merit' _Item.Description ; Figure of merit value assigned to the torsion angle constraint ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__Torsion_angle_constraint.PDB_record_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_record_ID_1' _Item.ID 5964 _Item.Name '_Torsion_angle_constraint.PDB_record_ID_1' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_model_num_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_model_num_1' _Item.ID 5965 _Item.Name '_Torsion_angle_constraint.PDB_model_num_1' _Item.Description ; PDB model number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.PDB_strand_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_strand_ID_1' _Item.ID 5966 _Item.Name '_Torsion_angle_constraint.PDB_strand_ID_1' _Item.Description ; PDB strand id. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_ins_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_ins_code_1' _Item.ID 5967 _Item.Name '_Torsion_angle_constraint.PDB_ins_code_1' _Item.Description ; PDB insertion code. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_no_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_no_1' _Item.ID 5968 _Item.Name '_Torsion_angle_constraint.PDB_residue_no_1' _Item.Description ; PDB residue number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_name_1' _Item.ID 5969 _Item.Name '_Torsion_angle_constraint.PDB_residue_name_1' _Item.Description ; PDB residue name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_atom_name_1' _Item.ID 5970 _Item.Name '_Torsion_angle_constraint.PDB_atom_name_1' _Item.Description ; PDB atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_record_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_record_ID_2' _Item.ID 5971 _Item.Name '_Torsion_angle_constraint.PDB_record_ID_2' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_model_num_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_model_num_2' _Item.ID 5972 _Item.Name '_Torsion_angle_constraint.PDB_model_num_2' _Item.Description ; PDB model number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.PDB_strand_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_strand_ID_2' _Item.ID 5973 _Item.Name '_Torsion_angle_constraint.PDB_strand_ID_2' _Item.Description ; PDB strand id. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_ins_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_ins_code_2' _Item.ID 5974 _Item.Name '_Torsion_angle_constraint.PDB_ins_code_2' _Item.Description ; PDB insertion code. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_no_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_no_2' _Item.ID 5975 _Item.Name '_Torsion_angle_constraint.PDB_residue_no_2' _Item.Description ; PDB residue number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_name_2' _Item.ID 5976 _Item.Name '_Torsion_angle_constraint.PDB_residue_name_2' _Item.Description ; PDB residue name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_atom_name_2' _Item.ID 5977 _Item.Name '_Torsion_angle_constraint.PDB_atom_name_2' _Item.Description ; PDB atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_record_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_record_ID_3' _Item.ID 5978 _Item.Name '_Torsion_angle_constraint.PDB_record_ID_3' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_model_num_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_model_num_3' _Item.ID 5979 _Item.Name '_Torsion_angle_constraint.PDB_model_num_3' _Item.Description ; PDB model number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.PDB_strand_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_strand_ID_3' _Item.ID 5980 _Item.Name '_Torsion_angle_constraint.PDB_strand_ID_3' _Item.Description ; PDB strand id. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_ins_code_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_ins_code_3' _Item.ID 5981 _Item.Name '_Torsion_angle_constraint.PDB_ins_code_3' _Item.Description ; PDB insertion code. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_no_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_no_3' _Item.ID 5982 _Item.Name '_Torsion_angle_constraint.PDB_residue_no_3' _Item.Description ; PDB residue number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_name_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_name_3' _Item.ID 5983 _Item.Name '_Torsion_angle_constraint.PDB_residue_name_3' _Item.Description ; PDB residue name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_atom_name_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_atom_name_3' _Item.ID 5984 _Item.Name '_Torsion_angle_constraint.PDB_atom_name_3' _Item.Description ; PDB atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_record_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_record_ID_4' _Item.ID 5985 _Item.Name '_Torsion_angle_constraint.PDB_record_ID_4' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_model_num_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_model_num_4' _Item.ID 5986 _Item.Name '_Torsion_angle_constraint.PDB_model_num_4' _Item.Description ; PDB model number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.PDB_strand_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_strand_ID_4' _Item.ID 5987 _Item.Name '_Torsion_angle_constraint.PDB_strand_ID_4' _Item.Description ; PDB strand id. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_ins_code_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_ins_code_4' _Item.ID 5988 _Item.Name '_Torsion_angle_constraint.PDB_ins_code_4' _Item.Description ; PDB insertion code. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_no_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_no_4' _Item.ID 5989 _Item.Name '_Torsion_angle_constraint.PDB_residue_no_4' _Item.Description ; PDB residue number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_residue_name_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_residue_name_4' _Item.ID 5990 _Item.Name '_Torsion_angle_constraint.PDB_residue_name_4' _Item.Description ; PDB residue name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.PDB_atom_name_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.PDB_atom_name_4' _Item.ID 5991 _Item.Name '_Torsion_angle_constraint.PDB_atom_name_4' _Item.Description ; PDB atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_entity_assembly_ID_1' _Item.ID 5992 _Item.Name '_Torsion_angle_constraint.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_asym_ID_1' _Item.ID 5993 _Item.Name '_Torsion_angle_constraint.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_chain_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_chain_ID_1' _Item.ID 5994 _Item.Name '_Torsion_angle_constraint.Auth_chain_ID_1' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_seq_ID_1' _Item.ID 5995 _Item.Name '_Torsion_angle_constraint.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_comp_ID_1' _Item.ID 5996 _Item.Name '_Torsion_angle_constraint.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_ID_1' _Item.ID 5997 _Item.Name '_Torsion_angle_constraint.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_alt_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_alt_ID_1' _Item.ID 5998 _Item.Name '_Torsion_angle_constraint.Auth_alt_ID_1' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_name_1' _Item.ID 5999 _Item.Name '_Torsion_angle_constraint.Auth_atom_name_1' _Item.Description ; Author's atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_entity_assembly_ID_2' _Item.ID 6000 _Item.Name '_Torsion_angle_constraint.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_asym_ID_2' _Item.ID 6001 _Item.Name '_Torsion_angle_constraint.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_chain_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_chain_ID_2' _Item.ID 6002 _Item.Name '_Torsion_angle_constraint.Auth_chain_ID_2' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_seq_ID_2' _Item.ID 6003 _Item.Name '_Torsion_angle_constraint.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_comp_ID_2' _Item.ID 6004 _Item.Name '_Torsion_angle_constraint.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_ID_2' _Item.ID 6005 _Item.Name '_Torsion_angle_constraint.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_alt_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_alt_ID_2' _Item.ID 6006 _Item.Name '_Torsion_angle_constraint.Auth_alt_ID_2' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_name_2' _Item.ID 6007 _Item.Name '_Torsion_angle_constraint.Auth_atom_name_2' _Item.Description ; Author's atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_entity_assembly_ID_3' _Item.ID 6008 _Item.Name '_Torsion_angle_constraint.Auth_entity_assembly_ID_3' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Auth_asym_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_asym_ID_3' _Item.ID 6009 _Item.Name '_Torsion_angle_constraint.Auth_asym_ID_3' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_chain_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_chain_ID_3' _Item.ID 6010 _Item.Name '_Torsion_angle_constraint.Auth_chain_ID_3' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_seq_ID_3' _Item.ID 6011 _Item.Name '_Torsion_angle_constraint.Auth_seq_ID_3' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_comp_ID_3' _Item.ID 6012 _Item.Name '_Torsion_angle_constraint.Auth_comp_ID_3' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_ID_3' _Item.ID 6013 _Item.Name '_Torsion_angle_constraint.Auth_atom_ID_3' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_alt_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_alt_ID_3' _Item.ID 6014 _Item.Name '_Torsion_angle_constraint.Auth_alt_ID_3' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_name_3 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_name_3' _Item.ID 6015 _Item.Name '_Torsion_angle_constraint.Auth_atom_name_3' _Item.Description ; Author's atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_entity_assembly_ID_4' _Item.ID 6016 _Item.Name '_Torsion_angle_constraint.Auth_entity_assembly_ID_4' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Auth_asym_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_asym_ID_4' _Item.ID 6017 _Item.Name '_Torsion_angle_constraint.Auth_asym_ID_4' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_chain_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_chain_ID_4' _Item.ID 6018 _Item.Name '_Torsion_angle_constraint.Auth_chain_ID_4' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_seq_ID_4' _Item.ID 6019 _Item.Name '_Torsion_angle_constraint.Auth_seq_ID_4' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_comp_ID_4' _Item.ID 6020 _Item.Name '_Torsion_angle_constraint.Auth_comp_ID_4' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_ID_4' _Item.ID 6021 _Item.Name '_Torsion_angle_constraint.Auth_atom_ID_4' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_alt_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_alt_ID_4' _Item.ID 6022 _Item.Name '_Torsion_angle_constraint.Auth_alt_ID_4' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Auth_atom_name_4 _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Auth_atom_name_4' _Item.ID 6023 _Item.Name '_Torsion_angle_constraint.Auth_atom_name_4' _Item.Description ; Author's atom name. ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__Torsion_angle_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Sf_ID' _Item.ID 6024 _Item.Name '_Torsion_angle_constraint.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Torsion_angle_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Entry_ID' _Item.ID 6025 _Item.Name '_Torsion_angle_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Torsion_angle_constraint.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Torsion_angle_constraint.Torsion_angle_constraint_list_ID' _Item.ID 6026 _Item.Name '_Torsion_angle_constraint.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 408 _Item.Category_label $Torsion_angle_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_TA_constraint_comment_org _Category.Sf_category category_description _Category.Sf_framecode TA_constraint_comment_org _Category.ID 409 _Category.Name 'TA_constraint_comment_org' _category.Description ; Items in the TA_constraint_comment_org category provide original comments extracted from constraint files containing torsion angle constraint values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6027 $_TA_constraint_comment_org.ID '_TA_constraint_comment_org.ID' 6034 $_TA_constraint_comment_org.Entry_ID '_TA_constraint_comment_org.Entry_ID' 6035 $_TA_constraint_comment_org.Torsion_angle_constraint_list_ID '_TA_constraint_comment_org.Torsion_angle_constraint_list_ID' 409 NMR-STAR stop_ save_ save__TA_constraint_comment_org.ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.ID' _Item.ID 6027 _Item.Name '_TA_constraint_comment_org.ID' _Item.Description ; An integer value that uniquely identifies the comment extracted from the torsion angle constraint file. ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_comment_org.Comment_text _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Comment_text' _Item.ID 6028 _Item.Name '_TA_constraint_comment_org.Comment_text' _Item.Description ; The text of the comment parsed from the torsion angle constraint file. ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__TA_constraint_comment_org.Comment_begin_line _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Comment_begin_line' _Item.ID 6029 _Item.Name '_TA_constraint_comment_org.Comment_begin_line' _Item.Description ; The line in the torsion angle constraint file where the comment begins. ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_comment_org.Comment_begin_column _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Comment_begin_column' _Item.ID 6030 _Item.Name '_TA_constraint_comment_org.Comment_begin_column' _Item.Description ; The column in the torsion angle constraint file where the comment begins. ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_comment_org.Comment_end_line _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Comment_end_line' _Item.ID 6031 _Item.Name '_TA_constraint_comment_org.Comment_end_line' _Item.Description ; The line in the torsion angle constraint file where the comment ends. ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_comment_org.Comment_end_column _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Comment_end_column' _Item.ID 6032 _Item.Name '_TA_constraint_comment_org.Comment_end_column' _Item.Description ; The column in the torsion angle constraint file where the comment ends. ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_comment_org.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Sf_ID' _Item.ID 6033 _Item.Name '_TA_constraint_comment_org.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_comment_org.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Entry_ID' _Item.ID 6034 _Item.Name '_TA_constraint_comment_org.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__TA_constraint_comment_org.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_comment_org.Torsion_angle_constraint_list_ID' _Item.ID 6035 _Item.Name '_TA_constraint_comment_org.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 409 _Item.Category_label $TA_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_TA_constraint_parse_err _Category.Sf_category category_description _Category.Sf_framecode TA_constraint_parse_err _Category.ID 410 _Category.Name 'TA_constraint_parse_err' _category.Description ; Items in the TA_constraint_parse_err category define the content and position of a segment of a torsion angle constraint file that could not be parsed into NMR-STAR format. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6036 $_TA_constraint_parse_err.ID '_TA_constraint_parse_err.ID' 6043 $_TA_constraint_parse_err.Entry_ID '_TA_constraint_parse_err.Entry_ID' 6044 $_TA_constraint_parse_err.Torsion_angle_constraint_list_ID '_TA_constraint_parse_err.Torsion_angle_constraint_list_ID' 410 NMR-STAR stop_ save_ save__TA_constraint_parse_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.ID' _Item.ID 6036 _Item.Name '_TA_constraint_parse_err.ID' _Item.Description ; An integer value that uniquely identifies the error that occurred in parsing the torsion angle constaint file. ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_parse_err.Content _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.Content' _Item.ID 6037 _Item.Name '_TA_constraint_parse_err.Content' _Item.Description ; The text content of the parse error. ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__TA_constraint_parse_err.Begin_line _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.Begin_line' _Item.ID 6038 _Item.Name '_TA_constraint_parse_err.Begin_line' _Item.Description ; The line in the torsion angle constraint file where the parse error began. ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_parse_err.Begin_column _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.Begin_column' _Item.ID 6039 _Item.Name '_TA_constraint_parse_err.Begin_column' _Item.Description ; The column in the torsion angle constraint file where the parse error began. ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_parse_err.End_line _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.End_line' _Item.ID 6040 _Item.Name '_TA_constraint_parse_err.End_line' _Item.Description ; The line in the torsion angle constraint file where the parse error ended. ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_parse_err.End_column _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.End_column' _Item.ID 6041 _Item.Name '_TA_constraint_parse_err.End_column' _Item.Description ; The column in the torsion angle constraint file where the parse error ended. ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__TA_constraint_parse_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.Sf_ID' _Item.ID 6042 _Item.Name '_TA_constraint_parse_err.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_parse_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.Entry_ID' _Item.ID 6043 _Item.Name '_TA_constraint_parse_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__TA_constraint_parse_err.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_err.Torsion_angle_constraint_list_ID' _Item.ID 6044 _Item.Name '_TA_constraint_parse_err.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 410 _Item.Category_label $TA_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_TA_constraint_parse_file _Category.Sf_category category_description _Category.Sf_framecode TA_constraint_parse_file _Category.ID 411 _Category.Name 'TA_constraint_parse_file' _category.Description ; Items in the TA_constraint_parse_file category define the files parsed to generate the NMR-STAR file. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6045 $_TA_constraint_parse_file.ID '_TA_constraint_parse_file.ID' 6048 $_TA_constraint_parse_file.Entry_ID '_TA_constraint_parse_file.Entry_ID' 6049 $_TA_constraint_parse_file.Torsion_angle_constraint_list_ID '_TA_constraint_parse_file.Torsion_angle_constraint_list_ID' 411 NMR-STAR stop_ save_ save__TA_constraint_parse_file.ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_file.ID' _Item.ID 6045 _Item.Name '_TA_constraint_parse_file.ID' _Item.Description ; An integer that uniquely defines the file from other files in the list. ; _Item.Category_ID 411 _Item.Category_label $TA_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__TA_constraint_parse_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_file.Name' _Item.ID 6046 _Item.Name '_TA_constraint_parse_file.Name' _Item.Description ; Name of the file from which the distance constraints were parsed. ; _Item.Category_ID 411 _Item.Category_label $TA_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__TA_constraint_parse_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_file.Sf_ID' _Item.ID 6047 _Item.Name '_TA_constraint_parse_file.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 411 _Item.Category_label $TA_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_parse_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_file.Entry_ID' _Item.ID 6048 _Item.Name '_TA_constraint_parse_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 411 _Item.Category_label $TA_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__TA_constraint_parse_file.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_parse_file.Torsion_angle_constraint_list_ID' _Item.ID 6049 _Item.Name '_TA_constraint_parse_file.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 411 _Item.Category_label $TA_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_TA_constraint_conv_err _Category.Sf_category category_description _Category.Sf_framecode TA_constraint_conv_err _Category.ID 412 _Category.Name 'TA_constraint_conv_err' _category.Description ; Items in the TA_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 97 _Category.Category_group_name torsion_angle_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6050 $_TA_constraint_conv_err.ID '_TA_constraint_conv_err.ID' 6056 $_TA_constraint_conv_err.Entry_ID '_TA_constraint_conv_err.Entry_ID' 6057 $_TA_constraint_conv_err.Torsion_angle_constraint_list_ID '_TA_constraint_conv_err.Torsion_angle_constraint_list_ID' 412 NMR-STAR stop_ save_ save__TA_constraint_conv_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.ID' _Item.ID 6050 _Item.Name '_TA_constraint_conv_err.ID' _Item.Description ; An integer value that uniquely identifies the conversion error. ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_conv_err.Parse_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Parse_file_ID' _Item.ID 6051 _Item.Name '_TA_constraint_conv_err.Parse_file_ID' _Item.Description ; Pointer to '_TA_constraint_parse_file.ID' ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_conv_err.Parse_file_constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Parse_file_constraint_ID' _Item.ID 6052 _Item.Name '_TA_constraint_conv_err.Parse_file_constraint_ID' _Item.Description ; Identifier for the constraint in the parse file that produced a conversion error. ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_conv_err.Conv_error_type _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Conv_error_type' _Item.ID 6053 _Item.Name '_TA_constraint_conv_err.Conv_error_type' _Item.Description ; Type of constraint conversion error. ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__TA_constraint_conv_err.Conv_error_note _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Conv_error_note' _Item.ID 6054 _Item.Name '_TA_constraint_conv_err.Conv_error_note' _Item.Description ; Text providing additional information regarding a converion error. ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code no _Item.Type_code 'text' save_ save__TA_constraint_conv_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Sf_ID' _Item.ID 6055 _Item.Name '_TA_constraint_conv_err.Sf_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.Sf_ID' ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__TA_constraint_conv_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Entry_ID' _Item.ID 6056 _Item.Name '_TA_constraint_conv_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__TA_constraint_conv_err.Torsion_angle_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_TA_constraint_conv_err.Torsion_angle_constraint_list_ID' _Item.ID 6057 _Item.Name '_TA_constraint_conv_err.Torsion_angle_constraint_list_ID' _Item.Description ; Pointer to '_Torsion_angle_constraint_list.ID' ; _Item.Category_ID 412 _Item.Category_label $TA_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint_list _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_list _Category.ID 413 _Category.Name 'RDC_constraint_list' _category.Description ; Items in the RDC_constraint_list category provide information about a list of reported residual dipolar coupling constraint values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6060 $_RDC_constraint_list.Entry_ID '_RDC_constraint_list.Entry_ID' 6062 $_RDC_constraint_list.ID '_RDC_constraint_list.ID' 413 NMR-STAR stop_ save_ save__RDC_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Sf_category' _Item.ID 6058 _Item.Name '_RDC_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Sf_framecode' _Item.ID 6059 _Item.Name '_RDC_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__RDC_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Entry_ID' _Item.ID 6060 _Item.Name '_RDC_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Sf_ID' _Item.ID 6061 _Item.Name '_RDC_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__RDC_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.ID' _Item.ID 6062 _Item.Name '_RDC_constraint_list.ID' _Item.Description ; Unique identifier for the list of reported residual dipolar coupling constraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__RDC_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Name' _Item.ID 6063 _Item.Name '_RDC_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Data_file_name' _Item.ID 6064 _Item.Name '_RDC_constraint_list.Data_file_name' _Item.Description ; Name of the file that contains the RDC constraint data. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Constraint_file_ID' _Item.ID 6065 _Item.Name '_RDC_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Block_ID' _Item.ID 6066 _Item.Name '_RDC_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_list.Potential_type _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Potential_type' _Item.ID 6067 _Item.Name '_RDC_constraint_list.Potential_type' _Item.Description ; The potential type used to model the residual dipolar coupling restraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_RDC_constraint_list.Potential_type' log-harmonic ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' parabolic ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' square-well-parabolic ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' square-well-parabolic-linear ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' upper-bound-parabolic ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' lower-bound-parabolic ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' upper-bound-parabolic-linear ? 6067 413 NMR-STAR '_RDC_constraint_list.Potential_type' lower-bound-parabolic-linear ? 6067 413 NMR-STAR stop_ save_ save__RDC_constraint_list.Constraint_type _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Constraint_type' _Item.ID 6068 _Item.Name '_RDC_constraint_list.Constraint_type' _Item.Description ; The data source for the RDC constraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_RDC_constraint_list.Constraint_type' RDC ? 6068 413 NMR-STAR stop_ save_ save__RDC_constraint_list.NEF_constraint_origin _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.NEF_constraint_origin' _Item.ID 6069 _Item.Name '_RDC_constraint_list.NEF_constraint_origin' _Item.Description ; The NEF defined origin for the RDC constraints in the save frame. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_list.Tensor_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_entity_assembly_ID' _Item.ID 6070 _Item.Name '_RDC_constraint_list.Tensor_entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_list.Tensor_comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_comp_index_ID' _Item.ID 6071 _Item.Name '_RDC_constraint_list.Tensor_comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_list.Tensor_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_seq_ID' _Item.ID 6072 _Item.Name '_RDC_constraint_list.Tensor_seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_list.Tensor_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_comp_ID' _Item.ID 6073 _Item.Name '_RDC_constraint_list.Tensor_comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint_list.Tensor_auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_auth_entity_assembly_ID' _Item.ID 6074 _Item.Name '_RDC_constraint_list.Tensor_auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint_list.Tensor_auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_auth_asym_ID' _Item.ID 6075 _Item.Name '_RDC_constraint_list.Tensor_auth_asym_ID' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint_list.Tensor_auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_auth_seq_ID' _Item.ID 6076 _Item.Name '_RDC_constraint_list.Tensor_auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint_list.Tensor_auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_auth_comp_ID' _Item.ID 6077 _Item.Name '_RDC_constraint_list.Tensor_auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint_list.Dipolar_constraint_calib_method _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Dipolar_constraint_calib_method' _Item.ID 6078 _Item.Name '_RDC_constraint_list.Dipolar_constraint_calib_method' _Item.Description ; Method used to calibrate the values for the residual dipolar coupling constraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_list.Tensor_magnitude _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_magnitude' _Item.ID 6079 _Item.Name '_RDC_constraint_list.Tensor_magnitude' _Item.Description ; The magnitude orientational parameter for the tensor. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Tensor_rhombicity _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Tensor_rhombicity' _Item.ID 6080 _Item.Name '_RDC_constraint_list.Tensor_rhombicity' _Item.Description ; The rhombicity orientational parameter for the tensor. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Mol_align_tensor_axial_sym_mol _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Mol_align_tensor_axial_sym_mol' _Item.ID 6081 _Item.Name '_RDC_constraint_list.Mol_align_tensor_axial_sym_mol' _Item.Description ; The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item Mol_align_tensor_axial_sym_mol is the axial symmetric component of the alignment tensor (1/3(Azz-(Axx+Ayy)/2). ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Mol_align_tensor_rhombic_mol _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Mol_align_tensor_rhombic_mol' _Item.ID 6082 _Item.Name '_RDC_constraint_list.Mol_align_tensor_rhombic_mol' _Item.Description ; The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item Mol_align_tensor_rhombic_mol is the rhombic component of the alignment tensor (1/3(Axx-Ayy)). ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.General_order_param_int_motions _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.General_order_param_int_motions' _Item.ID 6083 _Item.Name '_RDC_constraint_list.General_order_param_int_motions' _Item.Description ; The residual dipolar coupling provides geometric information relative to a common alignment frame. The value for the item General_order_param_int_motions is S, the local order parameter for internal motions. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Bond_length_usage_flag _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Bond_length_usage_flag' _Item.ID 6084 _Item.Name '_RDC_constraint_list.Bond_length_usage_flag' _Item.Description ; A flag indicating whether unique residue bond length values were used in calculating the RDC constraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint_list.Assumed_H_N_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Assumed_H_N_bond_length' _Item.ID 6085 _Item.Name '_RDC_constraint_list.Assumed_H_N_bond_length' _Item.Description ; Length assumed for the H-N bond length. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Assumed_H_C_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Assumed_H_C_bond_length' _Item.ID 6086 _Item.Name '_RDC_constraint_list.Assumed_H_C_bond_length' _Item.Description ; Length assumed for the H-C bond length. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Assumed_C_N_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Assumed_C_N_bond_length' _Item.ID 6087 _Item.Name '_RDC_constraint_list.Assumed_C_N_bond_length' _Item.Description ; Length assumed for the C-N bond length. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint_list.Data_file_format _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Data_file_format' _Item.ID 6088 _Item.Name '_RDC_constraint_list.Data_file_format' _Item.Description ; File format for the deposited residual dipolar coupling restraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Details' _Item.ID 6089 _Item.Name '_RDC_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported residual dipolar coupling constraints. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__RDC_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Text_data_format' _Item.ID 6090 _Item.Name '_RDC_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the residual dipolar coupling data as ASCII text in the text block that is the value to the '_RDC_constraint_list.Text_data' tag. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_list.Text_data' _Item.ID 6091 _Item.Name '_RDC_constraint_list.Text_data' _Item.Description ; A set of residual dipolar coupling data formatted as ASCII text. ; _Item.Category_ID 413 _Item.Category_label $RDC_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_RDC_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_expt _Category.ID 414 _Category.Name 'RDC_constraint_expt' _category.Description ; Items in the RDC_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported RDC constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6092 $_RDC_constraint_expt.Experiment_ID '_RDC_constraint_expt.Experiment_ID' 6100 $_RDC_constraint_expt.Entry_ID '_RDC_constraint_expt.Entry_ID' 6101 $_RDC_constraint_expt.RDC_constraint_list_ID '_RDC_constraint_expt.RDC_constraint_list_ID' 414 NMR-STAR stop_ save_ save__RDC_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Experiment_ID' _Item.ID 6092 _Item.Name '_RDC_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Experiment_name' _Item.ID 6093 _Item.Name '_RDC_constraint_expt.Experiment_name' _Item.Description ; The name of an experiment used to determine the data reported. The experiment name should exist in the experiments listed as values to the tag '_Experiment.Name'. ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__RDC_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Method_ID' _Item.ID 6094 _Item.Name '_RDC_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Method_label' _Item.ID 6095 _Item.Name '_RDC_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__RDC_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Sample_ID' _Item.ID 6096 _Item.Name '_RDC_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Sample_label' _Item.ID 6097 _Item.Name '_RDC_constraint_expt.Sample_label' _Item.Description ; Sample(s) used in deriving the data ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__RDC_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Sample_state' _Item.ID 6098 _Item.Name '_RDC_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_RDC_constraint_expt.Sample_state' isotropic ? 6098 414 NMR-STAR '_RDC_constraint_expt.Sample_state' anisotropic ? 6098 414 NMR-STAR '_RDC_constraint_expt.Sample_state' solid ? 6098 414 NMR-STAR stop_ save_ save__RDC_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Sf_ID' _Item.ID 6099 _Item.Name '_RDC_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.Entry_ID' _Item.ID 6100 _Item.Name '_RDC_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_expt.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_expt.RDC_constraint_list_ID' _Item.ID 6101 _Item.Name '_RDC_constraint_expt.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 414 _Item.Category_label $RDC_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint_software _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_software _Category.ID 415 _Category.Name 'RDC_constraint_software' _category.Description ; Items in the RDC_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6102 $_RDC_constraint_software.Software_ID '_RDC_constraint_software.Software_ID' 6107 $_RDC_constraint_software.Entry_ID '_RDC_constraint_software.Entry_ID' 6108 $_RDC_constraint_software.RDC_constraint_list_ID '_RDC_constraint_software.RDC_constraint_list_ID' 415 NMR-STAR stop_ save_ save__RDC_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.Software_ID' _Item.ID 6102 _Item.Name '_RDC_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.Software_label' _Item.ID 6103 _Item.Name '_RDC_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__RDC_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.Method_ID' _Item.ID 6104 _Item.Name '_RDC_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.Method_label' _Item.ID 6105 _Item.Name '_RDC_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__RDC_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.Sf_ID' _Item.ID 6106 _Item.Name '_RDC_constraint_software.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.Entry_ID' _Item.ID 6107 _Item.Name '_RDC_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_software.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_software.RDC_constraint_list_ID' _Item.ID 6108 _Item.Name '_RDC_constraint_software.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 415 _Item.Category_label $RDC_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint _Category.ID 416 _Category.Name 'RDC_constraint' _category.Description ; Items in the RDC_constraint category describe the residual dipolar coupling values used as constraints to calculate the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6109 $_RDC_constraint.Index_ID '_RDC_constraint.Index_ID' 6176 $_RDC_constraint.Entry_ID '_RDC_constraint.Entry_ID' 6177 $_RDC_constraint.RDC_constraint_list_ID '_RDC_constraint.RDC_constraint_list_ID' 416 NMR-STAR stop_ save_ save__RDC_constraint.Index_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Index_ID' _Item.ID 6109 _Item.Name '_RDC_constraint.Index_ID' _Item.Description ; Unique identifier for a row in the RDC constraint table. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.ID' _Item.ID 6110 _Item.Name '_RDC_constraint.ID' _Item.Description ; Unique identifier for the reported residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Combination_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Combination_ID' _Item.ID 6111 _Item.Name '_RDC_constraint.Combination_ID' _Item.Description ; An identifier for a constraint item combination within an RDC constraint. Constraint items with the same constraint.Combination_id must be part of the same constraint. When calculating a constraint they are AND-ed together, while contributions with differ ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Assembly_atom_ID_1' _Item.ID 6112 _Item.Name '_RDC_constraint.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Entity_assembly_ID_1' _Item.ID 6113 _Item.Name '_RDC_constraint.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Entity_ID_1' _Item.ID 6114 _Item.Name '_RDC_constraint.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Comp_index_ID_1' _Item.ID 6115 _Item.Name '_RDC_constraint.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Seq_ID_1' _Item.ID 6116 _Item.Name '_RDC_constraint.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Comp_ID_1' _Item.ID 6117 _Item.Name '_RDC_constraint.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Atom_ID_1' _Item.ID 6118 _Item.Name '_RDC_constraint.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__RDC_constraint.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Atom_type_1' _Item.ID 6119 _Item.Name '_RDC_constraint.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint.Atom_isotope_number_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Atom_isotope_number_1' _Item.ID 6120 _Item.Name '_RDC_constraint.Atom_isotope_number_1' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Resonance_ID_1' _Item.ID 6121 _Item.Name '_RDC_constraint.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Assembly_atom_ID_2' _Item.ID 6122 _Item.Name '_RDC_constraint.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Entity_assembly_ID_2' _Item.ID 6123 _Item.Name '_RDC_constraint.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Entity_ID_2' _Item.ID 6124 _Item.Name '_RDC_constraint.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Comp_index_ID_2' _Item.ID 6125 _Item.Name '_RDC_constraint.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Seq_ID_2' _Item.ID 6126 _Item.Name '_RDC_constraint.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Comp_ID_2' _Item.ID 6127 _Item.Name '_RDC_constraint.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Atom_ID_2' _Item.ID 6128 _Item.Name '_RDC_constraint.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__RDC_constraint.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Atom_type_2' _Item.ID 6129 _Item.Name '_RDC_constraint.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint.Atom_isotope_number_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Atom_isotope_number_2' _Item.ID 6130 _Item.Name '_RDC_constraint.Atom_isotope_number_2' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Resonance_ID_2' _Item.ID 6131 _Item.Name '_RDC_constraint.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Weight _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Weight' _Item.ID 6132 _Item.Name '_RDC_constraint.Weight' _Item.Description ; The weighting value applied to the residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_val _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_val' _Item.ID 6133 _Item.Name '_RDC_constraint.RDC_val' _Item.Description ; Value for the residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__RDC_constraint.RDC_val_err _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_val_err' _Item.ID 6134 _Item.Name '_RDC_constraint.RDC_val_err' _Item.Description ; The estimated error in the RDC constraint value. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.Target_value _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Target_value' _Item.ID 6135 _Item.Name '_RDC_constraint.Target_value' _Item.Description ; The target value applied for this residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.Target_value_uncertainty _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Target_value_uncertainty' _Item.ID 6136 _Item.Name '_RDC_constraint.Target_value_uncertainty' _Item.Description ; The uncertainty in the target value applied for this residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_lower_bound _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_lower_bound' _Item.ID 6137 _Item.Name '_RDC_constraint.RDC_lower_bound' _Item.Description ; Value for the lower bound on the residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_upper_bound _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_upper_bound' _Item.ID 6138 _Item.Name '_RDC_constraint.RDC_upper_bound' _Item.Description ; Value for the upper bound on the residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_lower_linear_limit _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_lower_linear_limit' _Item.ID 6139 _Item.Name '_RDC_constraint.RDC_lower_linear_limit' _Item.Description ; The lower limit for the linear residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_upper_linear_limit _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_upper_linear_limit' _Item.ID 6140 _Item.Name '_RDC_constraint.RDC_upper_linear_limit' _Item.Description ; The upper limit for the linear residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_val_scale_factor _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_val_scale_factor' _Item.ID 6141 _Item.Name '_RDC_constraint.RDC_val_scale_factor' _Item.Description ; Scaling factor used to normalize the residual dipolar coupling constraint. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_bond_length _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_bond_length' _Item.ID 6142 _Item.Name '_RDC_constraint.RDC_bond_length' _Item.Description ; Bond length value used in calculating the RDC constraint value. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__RDC_constraint.RDC_distant_dependent _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_distant_dependent' _Item.ID 6143 _Item.Name '_RDC_constraint.RDC_distant_dependent' _Item.Description ; This value shows whether the restraint value depends on a variable distance. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'yes_no' save_ save__RDC_constraint.Source_experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Source_experiment_ID' _Item.ID 6144 _Item.Name '_RDC_constraint.Source_experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.PDB_record_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_record_ID_1' _Item.ID 6145 _Item.Name '_RDC_constraint.PDB_record_ID_1' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_model_num_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_model_num_1' _Item.ID 6146 _Item.Name '_RDC_constraint.PDB_model_num_1' _Item.Description ; PDB model number. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.PDB_strand_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_strand_ID_1' _Item.ID 6147 _Item.Name '_RDC_constraint.PDB_strand_ID_1' _Item.Description ; PDB strand id. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_ins_code_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_ins_code_1' _Item.ID 6148 _Item.Name '_RDC_constraint.PDB_ins_code_1' _Item.Description ; PDB insertion code. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_residue_no_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_residue_no_1' _Item.ID 6149 _Item.Name '_RDC_constraint.PDB_residue_no_1' _Item.Description ; PDB residue number. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_residue_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_residue_name_1' _Item.ID 6150 _Item.Name '_RDC_constraint.PDB_residue_name_1' _Item.Description ; PDB residue name. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_atom_name_1' _Item.ID 6151 _Item.Name '_RDC_constraint.PDB_atom_name_1' _Item.Description ; PDB atom name. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_record_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_record_ID_2' _Item.ID 6152 _Item.Name '_RDC_constraint.PDB_record_ID_2' _Item.Description ; The value is an integer that identifies a record in the atom_site list. This is a place holder for the atom record number extracted from a PDB formatted file. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_model_num_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_model_num_2' _Item.ID 6153 _Item.Name '_RDC_constraint.PDB_model_num_2' _Item.Description ; PDB model number. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.PDB_strand_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_strand_ID_2' _Item.ID 6154 _Item.Name '_RDC_constraint.PDB_strand_ID_2' _Item.Description ; PDB strand id. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_ins_code_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_ins_code_2' _Item.ID 6155 _Item.Name '_RDC_constraint.PDB_ins_code_2' _Item.Description ; PDB insertion code. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_residue_no_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_residue_no_2' _Item.ID 6156 _Item.Name '_RDC_constraint.PDB_residue_no_2' _Item.Description ; PDB residue number. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_residue_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_residue_name_2' _Item.ID 6157 _Item.Name '_RDC_constraint.PDB_residue_name_2' _Item.Description ; PDB residue name. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.PDB_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.PDB_atom_name_2' _Item.ID 6158 _Item.Name '_RDC_constraint.PDB_atom_name_2' _Item.Description ; PDB atom name. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_entity_assembly_ID_1' _Item.ID 6159 _Item.Name '_RDC_constraint.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_asym_ID_1' _Item.ID 6160 _Item.Name '_RDC_constraint.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_chain_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_chain_ID_1' _Item.ID 6161 _Item.Name '_RDC_constraint.Auth_chain_ID_1' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_seq_ID_1' _Item.ID 6162 _Item.Name '_RDC_constraint.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_comp_ID_1' _Item.ID 6163 _Item.Name '_RDC_constraint.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_atom_ID_1' _Item.ID 6164 _Item.Name '_RDC_constraint.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_alt_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_alt_ID_1' _Item.ID 6165 _Item.Name '_RDC_constraint.Auth_alt_ID_1' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_atom_name_1 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_atom_name_1' _Item.ID 6166 _Item.Name '_RDC_constraint.Auth_atom_name_1' _Item.Description ; Author's atom name. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__RDC_constraint.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_entity_assembly_ID_2' _Item.ID 6167 _Item.Name '_RDC_constraint.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_asym_ID_2' _Item.ID 6168 _Item.Name '_RDC_constraint.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_chain_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_chain_ID_2' _Item.ID 6169 _Item.Name '_RDC_constraint.Auth_chain_ID_2' _Item.Description ; Author assigned chain ID ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_seq_ID_2' _Item.ID 6170 _Item.Name '_RDC_constraint.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_comp_ID_2' _Item.ID 6171 _Item.Name '_RDC_constraint.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_atom_ID_2' _Item.ID 6172 _Item.Name '_RDC_constraint.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_alt_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_alt_ID_2' _Item.ID 6173 _Item.Name '_RDC_constraint.Auth_alt_ID_2' _Item.Description ; Author's alternate location identifier. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__RDC_constraint.Auth_atom_name_2 _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Auth_atom_name_2' _Item.ID 6174 _Item.Name '_RDC_constraint.Auth_atom_name_2' _Item.Description ; Author's atom name. ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code no _Item.Type_code 'atcode' save_ save__RDC_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Sf_ID' _Item.ID 6175 _Item.Name '_RDC_constraint.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.Entry_ID' _Item.ID 6176 _Item.Name '_RDC_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint.RDC_constraint_list_ID' _Item.ID 6177 _Item.Name '_RDC_constraint.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 416 _Item.Category_label $RDC_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint_comment_org _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_comment_org _Category.ID 417 _Category.Name 'RDC_constraint_comment_org' _category.Description ; Items in the RDC_constraint_comment_org category provide original comments extracted from constraint files containing residual dipolar coupling constraint values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6178 $_RDC_constraint_comment_org.ID '_RDC_constraint_comment_org.ID' 6185 $_RDC_constraint_comment_org.Entry_ID '_RDC_constraint_comment_org.Entry_ID' 6186 $_RDC_constraint_comment_org.RDC_constraint_list_ID '_RDC_constraint_comment_org.RDC_constraint_list_ID' 417 NMR-STAR stop_ save_ save__RDC_constraint_comment_org.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.ID' _Item.ID 6178 _Item.Name '_RDC_constraint_comment_org.ID' _Item.Description ; An integer value that uniquely identifies the comment extracted from the distance constraint file. ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_comment_org.Comment_text _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Comment_text' _Item.ID 6179 _Item.Name '_RDC_constraint_comment_org.Comment_text' _Item.Description ; The text of the comment parsed from the RDC constraint file. ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__RDC_constraint_comment_org.Comment_begin_line _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Comment_begin_line' _Item.ID 6180 _Item.Name '_RDC_constraint_comment_org.Comment_begin_line' _Item.Description ; The line in the RDC constraint file where the comment begins. ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_comment_org.Comment_begin_column _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Comment_begin_column' _Item.ID 6181 _Item.Name '_RDC_constraint_comment_org.Comment_begin_column' _Item.Description ; The column in the RDC constraint file where the comment begins. ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_comment_org.Comment_end_line _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Comment_end_line' _Item.ID 6182 _Item.Name '_RDC_constraint_comment_org.Comment_end_line' _Item.Description ; The line in the RDC constraint file where the comment ends. ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_comment_org.Comment_end_column _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Comment_end_column' _Item.ID 6183 _Item.Name '_RDC_constraint_comment_org.Comment_end_column' _Item.Description ; The column in the RDC constraint file where the comment ends. ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_comment_org.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Sf_ID' _Item.ID 6184 _Item.Name '_RDC_constraint_comment_org.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_comment_org.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.Entry_ID' _Item.ID 6185 _Item.Name '_RDC_constraint_comment_org.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_comment_org.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_comment_org.RDC_constraint_list_ID' _Item.ID 6186 _Item.Name '_RDC_constraint_comment_org.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 417 _Item.Category_label $RDC_constraint_comment_org _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint_parse_err _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_parse_err _Category.ID 418 _Category.Name 'RDC_constraint_parse_err' _category.Description ; Items in the RDC_constraint_parse_err category define the content and position of a segment of a residual dipolar coupling constraint file that could not be parsed into NMR-STAR format. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6187 $_RDC_constraint_parse_err.ID '_RDC_constraint_parse_err.ID' 6194 $_RDC_constraint_parse_err.Entry_ID '_RDC_constraint_parse_err.Entry_ID' 6195 $_RDC_constraint_parse_err.RDC_constraint_list_ID '_RDC_constraint_parse_err.RDC_constraint_list_ID' 418 NMR-STAR stop_ save_ save__RDC_constraint_parse_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.ID' _Item.ID 6187 _Item.Name '_RDC_constraint_parse_err.ID' _Item.Description ; An integer value that uniquely identifies the error that occurred in parsing the RDC constaint file. ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_parse_err.Content _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.Content' _Item.ID 6188 _Item.Name '_RDC_constraint_parse_err.Content' _Item.Description ; The text content of the parse error. ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__RDC_constraint_parse_err.Begin_line _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.Begin_line' _Item.ID 6189 _Item.Name '_RDC_constraint_parse_err.Begin_line' _Item.Description ; The line in the RDC constraint file where the parse error began. ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_parse_err.Begin_column _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.Begin_column' _Item.ID 6190 _Item.Name '_RDC_constraint_parse_err.Begin_column' _Item.Description ; The column in the RDC constraint file where the parse error began. ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_parse_err.End_line _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.End_line' _Item.ID 6191 _Item.Name '_RDC_constraint_parse_err.End_line' _Item.Description ; The line in the RDC constraint file where the parse error ended. ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_parse_err.End_column _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.End_column' _Item.ID 6192 _Item.Name '_RDC_constraint_parse_err.End_column' _Item.Description ; The column in the RDC constraint file where the parse error ended. ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code no _Item.Type_code 'int' save_ save__RDC_constraint_parse_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.Sf_ID' _Item.ID 6193 _Item.Name '_RDC_constraint_parse_err.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_parse_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.Entry_ID' _Item.ID 6194 _Item.Name '_RDC_constraint_parse_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_parse_err.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_err.RDC_constraint_list_ID' _Item.ID 6195 _Item.Name '_RDC_constraint_parse_err.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 418 _Item.Category_label $RDC_constraint_parse_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint_parse_file _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_parse_file _Category.ID 419 _Category.Name 'RDC_constraint_parse_file' _category.Description ; Items in the RDC_constraint_parse_file category define the files parsed to generate the NMR-STAR file. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6196 $_RDC_constraint_parse_file.ID '_RDC_constraint_parse_file.ID' 6199 $_RDC_constraint_parse_file.Entry_ID '_RDC_constraint_parse_file.Entry_ID' 6200 $_RDC_constraint_parse_file.RDC_constraint_list_ID '_RDC_constraint_parse_file.RDC_constraint_list_ID' 419 NMR-STAR stop_ save_ save__RDC_constraint_parse_file.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_file.ID' _Item.ID 6196 _Item.Name '_RDC_constraint_parse_file.ID' _Item.Description ; An integer that uniquely defines the file from other files in the list. ; _Item.Category_ID 419 _Item.Category_label $RDC_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__RDC_constraint_parse_file.Name _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_file.Name' _Item.ID 6197 _Item.Name '_RDC_constraint_parse_file.Name' _Item.Description ; Name of the file from which the distance constraints were parsed. ; _Item.Category_ID 419 _Item.Category_label $RDC_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__RDC_constraint_parse_file.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_file.Sf_ID' _Item.ID 6198 _Item.Name '_RDC_constraint_parse_file.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 419 _Item.Category_label $RDC_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_parse_file.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_file.Entry_ID' _Item.ID 6199 _Item.Name '_RDC_constraint_parse_file.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 419 _Item.Category_label $RDC_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_parse_file.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_parse_file.RDC_constraint_list_ID' _Item.ID 6200 _Item.Name '_RDC_constraint_parse_file.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 419 _Item.Category_label $RDC_constraint_parse_file _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_RDC_constraint_conv_err _Category.Sf_category category_description _Category.Sf_framecode RDC_constraint_conv_err _Category.ID 420 _Category.Name 'RDC_constraint_conv_err' _category.Description ; Items in the RDC_constraint_conv_err category describe errors that occurred in converting the constraints to normalize the data with the atomic coordinates. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 98 _Category.Category_group_name RDC_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6201 $_RDC_constraint_conv_err.ID '_RDC_constraint_conv_err.ID' 6207 $_RDC_constraint_conv_err.Entry_ID '_RDC_constraint_conv_err.Entry_ID' 6208 $_RDC_constraint_conv_err.RDC_constraint_list_ID '_RDC_constraint_conv_err.RDC_constraint_list_ID' 420 NMR-STAR stop_ save_ save__RDC_constraint_conv_err.ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.ID' _Item.ID 6201 _Item.Name '_RDC_constraint_conv_err.ID' _Item.Description ; An integer value that uniquely identifies the conversion error. ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_conv_err.RDC_constr_parse_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.RDC_constr_parse_file_ID' _Item.ID 6202 _Item.Name '_RDC_constraint_conv_err.RDC_constr_parse_file_ID' _Item.Description ; Pointer to '_RDC_constraint_parse_file.ID' ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_conv_err.Parse_file_constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.Parse_file_constraint_ID' _Item.ID 6203 _Item.Name '_RDC_constraint_conv_err.Parse_file_constraint_ID' _Item.Description ; Identifier for the constraint in the parse file that produced a conversion error. ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_conv_err.Conv_error_type _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.Conv_error_type' _Item.ID 6204 _Item.Name '_RDC_constraint_conv_err.Conv_error_type' _Item.Description ; Type of constraint conversion error. ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__RDC_constraint_conv_err.Conv_error_note _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.Conv_error_note' _Item.ID 6205 _Item.Name '_RDC_constraint_conv_err.Conv_error_note' _Item.Description ; Text providing additional information regarding a conversion error. ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code no _Item.Type_code 'text' save_ save__RDC_constraint_conv_err.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.Sf_ID' _Item.ID 6206 _Item.Name '_RDC_constraint_conv_err.Sf_ID' _Item.Description ; Pointer to '_RDC_constraint_list.Sf_ID' ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__RDC_constraint_conv_err.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.Entry_ID' _Item.ID 6207 _Item.Name '_RDC_constraint_conv_err.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__RDC_constraint_conv_err.RDC_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_RDC_constraint_conv_err.RDC_constraint_list_ID' _Item.ID 6208 _Item.Name '_RDC_constraint_conv_err.RDC_constraint_list_ID' _Item.Description ; Pointer to '_RDC_constraint_list.ID' ; _Item.Category_ID 420 _Item.Category_label $RDC_constraint_conv_err _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_J_three_bond_constraint_list _Category.Sf_category category_description _Category.Sf_framecode J_three_bond_constraint_list _Category.ID 421 _Category.Name 'J_three_bond_constraint_list' _category.Description ; Items in the J_three_bond_constraint_list category provide information about a list of reported scalar three bond coupling constant constraint values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 99 _Category.Category_group_name J_three_bond_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6211 $_J_three_bond_constraint_list.Entry_ID '_J_three_bond_constraint_list.Entry_ID' 6213 $_J_three_bond_constraint_list.ID '_J_three_bond_constraint_list.ID' 421 NMR-STAR stop_ save_ save__J_three_bond_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Sf_category' _Item.ID 6209 _Item.Name '_J_three_bond_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Sf_framecode' _Item.ID 6210 _Item.Name '_J_three_bond_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__J_three_bond_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Entry_ID' _Item.ID 6211 _Item.Name '_J_three_bond_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Sf_ID' _Item.ID 6212 _Item.Name '_J_three_bond_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__J_three_bond_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.ID' _Item.ID 6213 _Item.Name '_J_three_bond_constraint_list.ID' _Item.Description ; Unique identifier for the list of reported three bond scalar coupling constraints. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__J_three_bond_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Name' _Item.ID 6214 _Item.Name '_J_three_bond_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__J_three_bond_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Data_file_name' _Item.ID 6215 _Item.Name '_J_three_bond_constraint_list.Data_file_name' _Item.Description ; Name of the file that contains the J-three bond coupling constant constraints. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__J_three_bond_constraint_list.Data_file_format _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Data_file_format' _Item.ID 6216 _Item.Name '_J_three_bond_constraint_list.Data_file_format' _Item.Description ; File format for the J-three bond coupling constant constraints. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__J_three_bond_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Constraint_file_ID' _Item.ID 6217 _Item.Name '_J_three_bond_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Block_ID' _Item.ID 6218 _Item.Name '_J_three_bond_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Text_data_format' _Item.ID 6219 _Item.Name '_J_three_bond_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the J three bond constraints data as ASCII text in the text block that is the value to the '_J_three_bond_constraint_list.Text_data' tag. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__J_three_bond_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Text_data' _Item.ID 6220 _Item.Name '_J_three_bond_constraint_list.Text_data' _Item.Description ; A set of J-three bond coupling data formatted as ASCII text. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__J_three_bond_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_list.Details' _Item.ID 6221 _Item.Name '_J_three_bond_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported J three bond constraints. ; _Item.Category_ID 421 _Item.Category_label $J_three_bond_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_J_three_bond_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode J_three_bond_constraint_expt _Category.ID 422 _Category.Name 'J_three_bond_constraint_expt' _category.Description ; Items in the J_three_bond_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of J three bond constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 99 _Category.Category_group_name J_three_bond_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6222 $_J_three_bond_constraint_expt.Experiment_ID '_J_three_bond_constraint_expt.Experiment_ID' 6230 $_J_three_bond_constraint_expt.Entry_ID '_J_three_bond_constraint_expt.Entry_ID' 6231 $_J_three_bond_constraint_expt.J_three_bond_constraint_list_ID '_J_three_bond_constraint_expt.J_three_bond_constraint_list_ID' 422 NMR-STAR stop_ save_ save__J_three_bond_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Experiment_ID' _Item.ID 6222 _Item.Name '_J_three_bond_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Experiment_name' _Item.ID 6223 _Item.Name '_J_three_bond_constraint_expt.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__J_three_bond_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Method_ID' _Item.ID 6224 _Item.Name '_J_three_bond_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Method_label' _Item.ID 6225 _Item.Name '_J_three_bond_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__J_three_bond_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Sample_ID' _Item.ID 6226 _Item.Name '_J_three_bond_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Sample_label' _Item.ID 6227 _Item.Name '_J_three_bond_constraint_expt.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__J_three_bond_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Sample_state' _Item.ID 6228 _Item.Name '_J_three_bond_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_J_three_bond_constraint_expt.Sample_state' isotropic ? 6228 422 NMR-STAR '_J_three_bond_constraint_expt.Sample_state' anisotropic ? 6228 422 NMR-STAR '_J_three_bond_constraint_expt.Sample_state' solid ? 6228 422 NMR-STAR stop_ save_ save__J_three_bond_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Sf_ID' _Item.ID 6229 _Item.Name '_J_three_bond_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_J_three_bond_constraint_list.Sf_ID' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.Entry_ID' _Item.ID 6230 _Item.Name '_J_three_bond_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint_expt.J_three_bond_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_expt.J_three_bond_constraint_list_ID' _Item.ID 6231 _Item.Name '_J_three_bond_constraint_expt.J_three_bond_constraint_list_ID' _Item.Description ; Pointer to '_J_three_bond_constraint_list.ID' ; _Item.Category_ID 422 _Item.Category_label $J_three_bond_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_J_three_bond_constraint_software _Category.Sf_category category_description _Category.Sf_framecode J_three_bond_constraint_software _Category.ID 423 _Category.Name 'J_three_bond_constraint_software' _category.Description ; Items in the J_three_bond_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 99 _Category.Category_group_name J_three_bond_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6232 $_J_three_bond_constraint_software.Software_ID '_J_three_bond_constraint_software.Software_ID' 6237 $_J_three_bond_constraint_software.Entry_ID '_J_three_bond_constraint_software.Entry_ID' 6238 $_J_three_bond_constraint_software.J_three_bond_constraint_list_ID '_J_three_bond_constraint_software.J_three_bond_constraint_list_ID' 423 NMR-STAR stop_ save_ save__J_three_bond_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.Software_ID' _Item.ID 6232 _Item.Name '_J_three_bond_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.Software_label' _Item.ID 6233 _Item.Name '_J_three_bond_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__J_three_bond_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.Method_ID' _Item.ID 6234 _Item.Name '_J_three_bond_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.Method_label' _Item.ID 6235 _Item.Name '_J_three_bond_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__J_three_bond_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.Sf_ID' _Item.ID 6236 _Item.Name '_J_three_bond_constraint_software.Sf_ID' _Item.Description ; Pointer to '_J_three_bond_constraint_list.Sf_ID' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.Entry_ID' _Item.ID 6237 _Item.Name '_J_three_bond_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint_software.J_three_bond_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint_software.J_three_bond_constraint_list_ID' _Item.ID 6238 _Item.Name '_J_three_bond_constraint_software.J_three_bond_constraint_list_ID' _Item.Description ; Pointer to '_J_three_bond_constraint_list.ID' ; _Item.Category_ID 423 _Item.Category_label $J_three_bond_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_J_three_bond_constraint _Category.Sf_category category_description _Category.Sf_framecode J_three_bond_constraint _Category.ID 424 _Category.Name 'J_three_bond_constraint' _category.Description ; Items in the J_three_bond_constraint category describe the scalar three-bond coupling constant values used as constraints in calculating the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 99 _Category.Category_group_name J_three_bond_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6239 $_J_three_bond_constraint.ID '_J_three_bond_constraint.ID' 6302 $_J_three_bond_constraint.Entry_ID '_J_three_bond_constraint.Entry_ID' 6303 $_J_three_bond_constraint.J_three_bond_constraint_list_ID '_J_three_bond_constraint.J_three_bond_constraint_list_ID' 424 NMR-STAR stop_ save_ save__J_three_bond_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.ID' _Item.ID 6239 _Item.Name '_J_three_bond_constraint.ID' _Item.Description ; Unique identifier for the reported three bond scalar coupling constraint. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Assembly_atom_ID_1' _Item.ID 6240 _Item.Name '_J_three_bond_constraint.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_assembly_ID_1' _Item.ID 6241 _Item.Name '_J_three_bond_constraint.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_ID_1' _Item.ID 6242 _Item.Name '_J_three_bond_constraint.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_index_ID_1' _Item.ID 6243 _Item.Name '_J_three_bond_constraint.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Seq_ID_1' _Item.ID 6244 _Item.Name '_J_three_bond_constraint.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_ID_1' _Item.ID 6245 _Item.Name '_J_three_bond_constraint.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_ID_1' _Item.ID 6246 _Item.Name '_J_three_bond_constraint.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__J_three_bond_constraint.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_type_1' _Item.ID 6247 _Item.Name '_J_three_bond_constraint.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Resonance_ID_1' _Item.ID 6248 _Item.Name '_J_three_bond_constraint.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Assembly_atom_ID_2' _Item.ID 6249 _Item.Name '_J_three_bond_constraint.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_assembly_ID_2' _Item.ID 6250 _Item.Name '_J_three_bond_constraint.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_ID_2' _Item.ID 6251 _Item.Name '_J_three_bond_constraint.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_index_ID_2' _Item.ID 6252 _Item.Name '_J_three_bond_constraint.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Seq_ID_2' _Item.ID 6253 _Item.Name '_J_three_bond_constraint.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_ID_2' _Item.ID 6254 _Item.Name '_J_three_bond_constraint.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_ID_2' _Item.ID 6255 _Item.Name '_J_three_bond_constraint.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__J_three_bond_constraint.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_type_2' _Item.ID 6256 _Item.Name '_J_three_bond_constraint.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Resonance_ID_2' _Item.ID 6257 _Item.Name '_J_three_bond_constraint.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Assembly_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Assembly_atom_ID_3' _Item.ID 6258 _Item.Name '_J_three_bond_constraint.Assembly_atom_ID_3' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_assembly_ID_3' _Item.ID 6259 _Item.Name '_J_three_bond_constraint.Entity_assembly_ID_3' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_ID_3' _Item.ID 6260 _Item.Name '_J_three_bond_constraint.Entity_ID_3' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_index_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_index_ID_3' _Item.ID 6261 _Item.Name '_J_three_bond_constraint.Comp_index_ID_3' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Seq_ID_3' _Item.ID 6262 _Item.Name '_J_three_bond_constraint.Seq_ID_3' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_ID_3' _Item.ID 6263 _Item.Name '_J_three_bond_constraint.Comp_ID_3' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_ID_3' _Item.ID 6264 _Item.Name '_J_three_bond_constraint.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__J_three_bond_constraint.Atom_type_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_type_3' _Item.ID 6265 _Item.Name '_J_three_bond_constraint.Atom_type_3' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Resonance_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Resonance_ID_3' _Item.ID 6266 _Item.Name '_J_three_bond_constraint.Resonance_ID_3' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Assembly_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Assembly_atom_ID_4' _Item.ID 6267 _Item.Name '_J_three_bond_constraint.Assembly_atom_ID_4' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_assembly_ID_4' _Item.ID 6268 _Item.Name '_J_three_bond_constraint.Entity_assembly_ID_4' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entity_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entity_ID_4' _Item.ID 6269 _Item.Name '_J_three_bond_constraint.Entity_ID_4' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_index_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_index_ID_4' _Item.ID 6270 _Item.Name '_J_three_bond_constraint.Comp_index_ID_4' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Seq_ID_4' _Item.ID 6271 _Item.Name '_J_three_bond_constraint.Seq_ID_4' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Comp_ID_4' _Item.ID 6272 _Item.Name '_J_three_bond_constraint.Comp_ID_4' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_ID_4' _Item.ID 6273 _Item.Name '_J_three_bond_constraint.Atom_ID_4' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__J_three_bond_constraint.Atom_type_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Atom_type_4' _Item.ID 6274 _Item.Name '_J_three_bond_constraint.Atom_type_4' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.Resonance_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Resonance_ID_4' _Item.ID 6275 _Item.Name '_J_three_bond_constraint.Resonance_ID_4' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Coupling_constant_val _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Coupling_constant_val' _Item.ID 6276 _Item.Name '_J_three_bond_constraint.Coupling_constant_val' _Item.Description ; Value for the J three bond constraint when a single value is reported. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__J_three_bond_constraint.Coupling_constant_lower_bound _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Coupling_constant_lower_bound' _Item.ID 6277 _Item.Name '_J_three_bond_constraint.Coupling_constant_lower_bound' _Item.Description ; Value for the lower bound of a J three bond constraint. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__J_three_bond_constraint.Coupling_constant_upper_bound _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Coupling_constant_upper_bound' _Item.ID 6278 _Item.Name '_J_three_bond_constraint.Coupling_constant_upper_bound' _Item.Description ; Value for the upper bound of a J three bond constraint. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__J_three_bond_constraint.Coupling_constant_err _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Coupling_constant_err' _Item.ID 6279 _Item.Name '_J_three_bond_constraint.Coupling_constant_err' _Item.Description ; Estimated error in the reported J three bond constraint value. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__J_three_bond_constraint.Source_experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Source_experiment_ID' _Item.ID 6280 _Item.Name '_J_three_bond_constraint.Source_experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_asym_ID_1' _Item.ID 6281 _Item.Name '_J_three_bond_constraint.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_entity_assembly_ID_1' _Item.ID 6282 _Item.Name '_J_three_bond_constraint.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_seq_ID_1' _Item.ID 6283 _Item.Name '_J_three_bond_constraint.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_comp_ID_1' _Item.ID 6284 _Item.Name '_J_three_bond_constraint.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_atom_ID_1' _Item.ID 6285 _Item.Name '_J_three_bond_constraint.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_asym_ID_2' _Item.ID 6286 _Item.Name '_J_three_bond_constraint.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_entity_assembly_ID_2' _Item.ID 6287 _Item.Name '_J_three_bond_constraint.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_seq_ID_2' _Item.ID 6288 _Item.Name '_J_three_bond_constraint.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_comp_ID_2' _Item.ID 6289 _Item.Name '_J_three_bond_constraint.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_atom_ID_2' _Item.ID 6290 _Item.Name '_J_three_bond_constraint.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_asym_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_asym_ID_3' _Item.ID 6291 _Item.Name '_J_three_bond_constraint.Auth_asym_ID_3' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_entity_assembly_ID_3' _Item.ID 6292 _Item.Name '_J_three_bond_constraint.Auth_entity_assembly_ID_3' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Auth_seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_seq_ID_3' _Item.ID 6293 _Item.Name '_J_three_bond_constraint.Auth_seq_ID_3' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_comp_ID_3' _Item.ID 6294 _Item.Name '_J_three_bond_constraint.Auth_comp_ID_3' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_atom_ID_3' _Item.ID 6295 _Item.Name '_J_three_bond_constraint.Auth_atom_ID_3' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_asym_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_asym_ID_4' _Item.ID 6296 _Item.Name '_J_three_bond_constraint.Auth_asym_ID_4' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_entity_assembly_ID_4' _Item.ID 6297 _Item.Name '_J_three_bond_constraint.Auth_entity_assembly_ID_4' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__J_three_bond_constraint.Auth_seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_seq_ID_4' _Item.ID 6298 _Item.Name '_J_three_bond_constraint.Auth_seq_ID_4' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_comp_ID_4' _Item.ID 6299 _Item.Name '_J_three_bond_constraint.Auth_comp_ID_4' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Auth_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Auth_atom_ID_4' _Item.ID 6300 _Item.Name '_J_three_bond_constraint.Auth_atom_ID_4' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__J_three_bond_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Sf_ID' _Item.ID 6301 _Item.Name '_J_three_bond_constraint.Sf_ID' _Item.Description ; Pointer to '_J_three_bond_constraint_list.Sf_ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__J_three_bond_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.Entry_ID' _Item.ID 6302 _Item.Name '_J_three_bond_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__J_three_bond_constraint.J_three_bond_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_J_three_bond_constraint.J_three_bond_constraint_list_ID' _Item.ID 6303 _Item.Name '_J_three_bond_constraint.J_three_bond_constraint_list_ID' _Item.Description ; Pointer to '_J_three_bond_constraint_list.ID' ; _Item.Category_ID 424 _Item.Category_label $J_three_bond_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_CA_CB_constraint_list _Category.Sf_category category_description _Category.Sf_framecode CA_CB_constraint_list _Category.ID 425 _Category.Name 'CA_CB_constraint_list' _category.Description ; Items in the CA_CB_constraint_list category provide information about a list of reported 13CA-13CB chemical shift constraint values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 100 _Category.Category_group_name CA_CB_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6306 $_CA_CB_constraint_list.Entry_ID '_CA_CB_constraint_list.Entry_ID' 6308 $_CA_CB_constraint_list.ID '_CA_CB_constraint_list.ID' 425 NMR-STAR stop_ save_ save__CA_CB_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Sf_category' _Item.ID 6304 _Item.Name '_CA_CB_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Sf_framecode' _Item.ID 6305 _Item.Name '_CA_CB_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__CA_CB_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Entry_ID' _Item.ID 6306 _Item.Name '_CA_CB_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Sf_ID' _Item.ID 6307 _Item.Name '_CA_CB_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__CA_CB_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.ID' _Item.ID 6308 _Item.Name '_CA_CB_constraint_list.ID' _Item.Description ; Unique identifier for the list of reported CA/CB chemical shift constraints.. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__CA_CB_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Name' _Item.ID 6309 _Item.Name '_CA_CB_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__CA_CB_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Data_file_name' _Item.ID 6310 _Item.Name '_CA_CB_constraint_list.Data_file_name' _Item.Description ; Name of the file that contains the CA/CB chemical shift constraints. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__CA_CB_constraint_list.Data_file_format _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Data_file_format' _Item.ID 6311 _Item.Name '_CA_CB_constraint_list.Data_file_format' _Item.Description ; File format for the CA and CB chemical shift restraints. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__CA_CB_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Constraint_file_ID' _Item.ID 6312 _Item.Name '_CA_CB_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Block_ID' _Item.ID 6313 _Item.Name '_CA_CB_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint_list.Units _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Units' _Item.ID 6314 _Item.Name '_CA_CB_constraint_list.Units' _Item.Description ; The units assigned to the CA-CB chemical shift constraint values. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Details' _Item.ID 6315 _Item.Name '_CA_CB_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported CA and CB chemical shift constraints. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__CA_CB_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Text_data_format' _Item.ID 6316 _Item.Name '_CA_CB_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the CA/CB chemical shift constraint data as ASCII text in the text block that is the value to the '_CA_CB_constraint_list.Text_data' tag. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__CA_CB_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_list.Text_data' _Item.ID 6317 _Item.Name '_CA_CB_constraint_list.Text_data' _Item.Description ; A set of CA/CB chemical shift constraint data formatted as ASCII text. ; _Item.Category_ID 425 _Item.Category_label $CA_CB_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_CA_CB_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode CA_CB_constraint_expt _Category.ID 426 _Category.Name 'CA_CB_constraint_expt' _category.Description ; Items in the CA_CB_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported CA_CB chemical shift constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 100 _Category.Category_group_name CA_CB_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6318 $_CA_CB_constraint_expt.Experiment_ID '_CA_CB_constraint_expt.Experiment_ID' 6326 $_CA_CB_constraint_expt.Entry_ID '_CA_CB_constraint_expt.Entry_ID' 6327 $_CA_CB_constraint_expt.CA_CB_constraint_list_ID '_CA_CB_constraint_expt.CA_CB_constraint_list_ID' 426 NMR-STAR stop_ save_ save__CA_CB_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Experiment_ID' _Item.ID 6318 _Item.Name '_CA_CB_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Experiment_name' _Item.ID 6319 _Item.Name '_CA_CB_constraint_expt.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__CA_CB_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Method_ID' _Item.ID 6320 _Item.Name '_CA_CB_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Method_label' _Item.ID 6321 _Item.Name '_CA_CB_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__CA_CB_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Sample_ID' _Item.ID 6322 _Item.Name '_CA_CB_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Sample_label' _Item.ID 6323 _Item.Name '_CA_CB_constraint_expt.Sample_label' _Item.Description ; Sample(s) used in deriving the data ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__CA_CB_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Sample_state' _Item.ID 6324 _Item.Name '_CA_CB_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_CA_CB_constraint_expt.Sample_state' isotropic ? 6324 426 NMR-STAR '_CA_CB_constraint_expt.Sample_state' anisotropic ? 6324 426 NMR-STAR '_CA_CB_constraint_expt.Sample_state' solid ? 6324 426 NMR-STAR stop_ save_ save__CA_CB_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Sf_ID' _Item.ID 6325 _Item.Name '_CA_CB_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_CA_CB_constraint_list.Sf_ID' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.Entry_ID' _Item.ID 6326 _Item.Name '_CA_CB_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint_expt.CA_CB_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_expt.CA_CB_constraint_list_ID' _Item.ID 6327 _Item.Name '_CA_CB_constraint_expt.CA_CB_constraint_list_ID' _Item.Description ; Pointer to '_CA_CB_constraint_list.ID' ; _Item.Category_ID 426 _Item.Category_label $CA_CB_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_CA_CB_constraint_software _Category.Sf_category category_description _Category.Sf_framecode CA_CB_constraint_software _Category.ID 427 _Category.Name 'CA_CB_constraint_software' _category.Description ; Items in the CA_CB_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 100 _Category.Category_group_name CA_CB_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6328 $_CA_CB_constraint_software.Software_ID '_CA_CB_constraint_software.Software_ID' 6333 $_CA_CB_constraint_software.Entry_ID '_CA_CB_constraint_software.Entry_ID' 6334 $_CA_CB_constraint_software.CA_CB_constraint_list_ID '_CA_CB_constraint_software.CA_CB_constraint_list_ID' 427 NMR-STAR stop_ save_ save__CA_CB_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.Software_ID' _Item.ID 6328 _Item.Name '_CA_CB_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.Software_label' _Item.ID 6329 _Item.Name '_CA_CB_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__CA_CB_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.Method_ID' _Item.ID 6330 _Item.Name '_CA_CB_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.Method_label' _Item.ID 6331 _Item.Name '_CA_CB_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__CA_CB_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.Sf_ID' _Item.ID 6332 _Item.Name '_CA_CB_constraint_software.Sf_ID' _Item.Description ; Pointer to '_CA_CB_constraint_list.Sf_ID' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.Entry_ID' _Item.ID 6333 _Item.Name '_CA_CB_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint_software.CA_CB_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint_software.CA_CB_constraint_list_ID' _Item.ID 6334 _Item.Name '_CA_CB_constraint_software.CA_CB_constraint_list_ID' _Item.Description ; Pointer to '_CA_CB_constraint_list.ID' ; _Item.Category_ID 427 _Item.Category_label $CA_CB_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_CA_CB_constraint _Category.Sf_category category_description _Category.Sf_framecode CA_CB_constraint _Category.ID 428 _Category.Name 'CA_CB_constraint' _category.Description ; Items in the CA_CB_constraint category describe the assigned 13CA and 13CB chemical shift values used as constraints in calculating the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 100 _Category.Category_group_name CA_CB_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6335 $_CA_CB_constraint.ID '_CA_CB_constraint.ID' 6412 $_CA_CB_constraint.Entry_ID '_CA_CB_constraint.Entry_ID' 6413 $_CA_CB_constraint.CA_CB_constraint_list_ID '_CA_CB_constraint.CA_CB_constraint_list_ID' 428 NMR-STAR stop_ save_ save__CA_CB_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.ID' _Item.ID 6335 _Item.Name '_CA_CB_constraint.ID' _Item.Description ; Unique identifier for the reported CA/CB chemical shift constraint within the list of constraints contained in one save frame. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Assembly_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Assembly_atom_ID_1' _Item.ID 6336 _Item.Name '_CA_CB_constraint.Assembly_atom_ID_1' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_assembly_ID_1' _Item.ID 6337 _Item.Name '_CA_CB_constraint.Entity_assembly_ID_1' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_ID_1' _Item.ID 6338 _Item.Name '_CA_CB_constraint.Entity_ID_1' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_index_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_index_ID_1' _Item.ID 6339 _Item.Name '_CA_CB_constraint.Comp_index_ID_1' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Seq_ID_1' _Item.ID 6340 _Item.Name '_CA_CB_constraint.Seq_ID_1' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_ID_1' _Item.ID 6341 _Item.Name '_CA_CB_constraint.Comp_ID_1' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_ID_1' _Item.ID 6342 _Item.Name '_CA_CB_constraint.Atom_ID_1' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__CA_CB_constraint.Atom_type_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_type_1' _Item.ID 6343 _Item.Name '_CA_CB_constraint.Atom_type_1' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Resonance_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Resonance_ID_1' _Item.ID 6344 _Item.Name '_CA_CB_constraint.Resonance_ID_1' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Assembly_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Assembly_atom_ID_2' _Item.ID 6345 _Item.Name '_CA_CB_constraint.Assembly_atom_ID_2' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_assembly_ID_2' _Item.ID 6346 _Item.Name '_CA_CB_constraint.Entity_assembly_ID_2' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_ID_2' _Item.ID 6347 _Item.Name '_CA_CB_constraint.Entity_ID_2' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_index_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_index_ID_2' _Item.ID 6348 _Item.Name '_CA_CB_constraint.Comp_index_ID_2' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Seq_ID_2' _Item.ID 6349 _Item.Name '_CA_CB_constraint.Seq_ID_2' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_ID_2' _Item.ID 6350 _Item.Name '_CA_CB_constraint.Comp_ID_2' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_ID_2' _Item.ID 6351 _Item.Name '_CA_CB_constraint.Atom_ID_2' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__CA_CB_constraint.Atom_type_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_type_2' _Item.ID 6352 _Item.Name '_CA_CB_constraint.Atom_type_2' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Resonance_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Resonance_ID_2' _Item.ID 6353 _Item.Name '_CA_CB_constraint.Resonance_ID_2' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Assembly_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Assembly_atom_ID_3' _Item.ID 6354 _Item.Name '_CA_CB_constraint.Assembly_atom_ID_3' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_assembly_ID_3' _Item.ID 6355 _Item.Name '_CA_CB_constraint.Entity_assembly_ID_3' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_ID_3' _Item.ID 6356 _Item.Name '_CA_CB_constraint.Entity_ID_3' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_index_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_index_ID_3' _Item.ID 6357 _Item.Name '_CA_CB_constraint.Comp_index_ID_3' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Seq_ID_3' _Item.ID 6358 _Item.Name '_CA_CB_constraint.Seq_ID_3' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_ID_3' _Item.ID 6359 _Item.Name '_CA_CB_constraint.Comp_ID_3' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_ID_3' _Item.ID 6360 _Item.Name '_CA_CB_constraint.Atom_ID_3' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__CA_CB_constraint.Atom_type_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_type_3' _Item.ID 6361 _Item.Name '_CA_CB_constraint.Atom_type_3' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Resonance_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Resonance_ID_3' _Item.ID 6362 _Item.Name '_CA_CB_constraint.Resonance_ID_3' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Assembly_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Assembly_atom_ID_4' _Item.ID 6363 _Item.Name '_CA_CB_constraint.Assembly_atom_ID_4' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_assembly_ID_4' _Item.ID 6364 _Item.Name '_CA_CB_constraint.Entity_assembly_ID_4' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_ID_4' _Item.ID 6365 _Item.Name '_CA_CB_constraint.Entity_ID_4' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_index_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_index_ID_4' _Item.ID 6366 _Item.Name '_CA_CB_constraint.Comp_index_ID_4' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Seq_ID_4' _Item.ID 6367 _Item.Name '_CA_CB_constraint.Seq_ID_4' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_ID_4' _Item.ID 6368 _Item.Name '_CA_CB_constraint.Comp_ID_4' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_ID_4' _Item.ID 6369 _Item.Name '_CA_CB_constraint.Atom_ID_4' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__CA_CB_constraint.Atom_type_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_type_4' _Item.ID 6370 _Item.Name '_CA_CB_constraint.Atom_type_4' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Resonance_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Resonance_ID_4' _Item.ID 6371 _Item.Name '_CA_CB_constraint.Resonance_ID_4' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Assembly_atom_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Assembly_atom_ID_5' _Item.ID 6372 _Item.Name '_CA_CB_constraint.Assembly_atom_ID_5' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_assembly_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_assembly_ID_5' _Item.ID 6373 _Item.Name '_CA_CB_constraint.Entity_assembly_ID_5' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Entity_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entity_ID_5' _Item.ID 6374 _Item.Name '_CA_CB_constraint.Entity_ID_5' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_index_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_index_ID_5' _Item.ID 6375 _Item.Name '_CA_CB_constraint.Comp_index_ID_5' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Seq_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Seq_ID_5' _Item.ID 6376 _Item.Name '_CA_CB_constraint.Seq_ID_5' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Comp_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Comp_ID_5' _Item.ID 6377 _Item.Name '_CA_CB_constraint.Comp_ID_5' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Atom_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_ID_5' _Item.ID 6378 _Item.Name '_CA_CB_constraint.Atom_ID_5' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__CA_CB_constraint.Atom_type_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Atom_type_5' _Item.ID 6379 _Item.Name '_CA_CB_constraint.Atom_type_5' _Item.Description ; Standard symbol used to define the atom element type. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.Resonance_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Resonance_ID_5' _Item.ID 6380 _Item.Name '_CA_CB_constraint.Resonance_ID_5' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.CA_chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.CA_chem_shift_val' _Item.ID 6381 _Item.Name '_CA_CB_constraint.CA_chem_shift_val' _Item.Description ; The value of the CA chemical shift. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__CA_CB_constraint.CA_chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.CA_chem_shift_val_err' _Item.ID 6382 _Item.Name '_CA_CB_constraint.CA_chem_shift_val_err' _Item.Description ; Estimated error in the CA chemical shift. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__CA_CB_constraint.CB_chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.CB_chem_shift_val' _Item.ID 6383 _Item.Name '_CA_CB_constraint.CB_chem_shift_val' _Item.Description ; The value of the CB chemical shift. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__CA_CB_constraint.CB_chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.CB_chem_shift_val_err' _Item.ID 6384 _Item.Name '_CA_CB_constraint.CB_chem_shift_val_err' _Item.Description ; Estimated error in the CB chemical shift. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__CA_CB_constraint.Source_experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Source_experiment_ID' _Item.ID 6385 _Item.Name '_CA_CB_constraint.Source_experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Auth_asym_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_asym_ID_1' _Item.ID 6386 _Item.Name '_CA_CB_constraint.Auth_asym_ID_1' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_entity_assembly_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_entity_assembly_ID_1' _Item.ID 6387 _Item.Name '_CA_CB_constraint.Auth_entity_assembly_ID_1' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Auth_seq_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_seq_ID_1' _Item.ID 6388 _Item.Name '_CA_CB_constraint.Auth_seq_ID_1' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_comp_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_comp_ID_1' _Item.ID 6389 _Item.Name '_CA_CB_constraint.Auth_comp_ID_1' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_atom_ID_1 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_atom_ID_1' _Item.ID 6390 _Item.Name '_CA_CB_constraint.Auth_atom_ID_1' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_asym_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_asym_ID_2' _Item.ID 6391 _Item.Name '_CA_CB_constraint.Auth_asym_ID_2' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_entity_assembly_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_entity_assembly_ID_2' _Item.ID 6392 _Item.Name '_CA_CB_constraint.Auth_entity_assembly_ID_2' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Auth_seq_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_seq_ID_2' _Item.ID 6393 _Item.Name '_CA_CB_constraint.Auth_seq_ID_2' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_comp_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_comp_ID_2' _Item.ID 6394 _Item.Name '_CA_CB_constraint.Auth_comp_ID_2' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_atom_ID_2 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_atom_ID_2' _Item.ID 6395 _Item.Name '_CA_CB_constraint.Auth_atom_ID_2' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_asym_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_asym_ID_3' _Item.ID 6396 _Item.Name '_CA_CB_constraint.Auth_asym_ID_3' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_entity_assembly_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_entity_assembly_ID_3' _Item.ID 6397 _Item.Name '_CA_CB_constraint.Auth_entity_assembly_ID_3' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Auth_seq_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_seq_ID_3' _Item.ID 6398 _Item.Name '_CA_CB_constraint.Auth_seq_ID_3' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_comp_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_comp_ID_3' _Item.ID 6399 _Item.Name '_CA_CB_constraint.Auth_comp_ID_3' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_atom_ID_3 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_atom_ID_3' _Item.ID 6400 _Item.Name '_CA_CB_constraint.Auth_atom_ID_3' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_asym_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_asym_ID_4' _Item.ID 6401 _Item.Name '_CA_CB_constraint.Auth_asym_ID_4' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_entity_assembly_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_entity_assembly_ID_4' _Item.ID 6402 _Item.Name '_CA_CB_constraint.Auth_entity_assembly_ID_4' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Auth_seq_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_seq_ID_4' _Item.ID 6403 _Item.Name '_CA_CB_constraint.Auth_seq_ID_4' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_comp_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_comp_ID_4' _Item.ID 6404 _Item.Name '_CA_CB_constraint.Auth_comp_ID_4' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_atom_ID_4 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_atom_ID_4' _Item.ID 6405 _Item.Name '_CA_CB_constraint.Auth_atom_ID_4' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_asym_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_asym_ID_5' _Item.ID 6406 _Item.Name '_CA_CB_constraint.Auth_asym_ID_5' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_entity_assembly_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_entity_assembly_ID_5' _Item.ID 6407 _Item.Name '_CA_CB_constraint.Auth_entity_assembly_ID_5' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__CA_CB_constraint.Auth_seq_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_seq_ID_5' _Item.ID 6408 _Item.Name '_CA_CB_constraint.Auth_seq_ID_5' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_comp_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_comp_ID_5' _Item.ID 6409 _Item.Name '_CA_CB_constraint.Auth_comp_ID_5' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Auth_atom_ID_5 _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Auth_atom_ID_5' _Item.ID 6410 _Item.Name '_CA_CB_constraint.Auth_atom_ID_5' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__CA_CB_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Sf_ID' _Item.ID 6411 _Item.Name '_CA_CB_constraint.Sf_ID' _Item.Description ; Pointer to '_CA_CB_constraint_list.Sf_ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__CA_CB_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.Entry_ID' _Item.ID 6412 _Item.Name '_CA_CB_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__CA_CB_constraint.CA_CB_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_CA_CB_constraint.CA_CB_constraint_list_ID' _Item.ID 6413 _Item.Name '_CA_CB_constraint.CA_CB_constraint_list_ID' _Item.Description ; Pointer to '_CA_CB_constraint_list.ID' ; _Item.Category_ID 428 _Item.Category_label $CA_CB_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_chem_shift_constraint_list _Category.Sf_category category_description _Category.Sf_framecode H_chem_shift_constraint_list _Category.ID 429 _Category.Name 'H_chem_shift_constraint_list' _category.Description ; Items in the H_chem_shift_constraint_list category provide information about a list of reported 1H chemical shift constraint values. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 101 _Category.Category_group_name H_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6416 $_H_chem_shift_constraint_list.Entry_ID '_H_chem_shift_constraint_list.Entry_ID' 6418 $_H_chem_shift_constraint_list.ID '_H_chem_shift_constraint_list.ID' 429 NMR-STAR stop_ save_ save__H_chem_shift_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Sf_category' _Item.ID 6414 _Item.Name '_H_chem_shift_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Sf_framecode' _Item.ID 6415 _Item.Name '_H_chem_shift_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__H_chem_shift_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Entry_ID' _Item.ID 6416 _Item.Name '_H_chem_shift_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Sf_ID' _Item.ID 6417 _Item.Name '_H_chem_shift_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__H_chem_shift_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.ID' _Item.ID 6418 _Item.Name '_H_chem_shift_constraint_list.ID' _Item.Description ; Unique identifier for the reported list of proton chemical shift constraints. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__H_chem_shift_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Name' _Item.ID 6419 _Item.Name '_H_chem_shift_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_chem_shift_constraint_list.Units _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Units' _Item.ID 6420 _Item.Name '_H_chem_shift_constraint_list.Units' _Item.Description ; The units assigned to the H chemical shift constraint values. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Data_file_name' _Item.ID 6421 _Item.Name '_H_chem_shift_constraint_list.Data_file_name' _Item.Description ; Name of the file that contains the H chemical shift constraints. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_chem_shift_constraint_list.Data_file_format _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Data_file_format' _Item.ID 6422 _Item.Name '_H_chem_shift_constraint_list.Data_file_format' _Item.Description ; File format for the proton chemical shift constraints. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_chem_shift_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Constraint_file_ID' _Item.ID 6423 _Item.Name '_H_chem_shift_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Block_ID' _Item.ID 6424 _Item.Name '_H_chem_shift_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Details' _Item.ID 6425 _Item.Name '_H_chem_shift_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported H chemical shift constraints. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__H_chem_shift_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Text_data_format' _Item.ID 6426 _Item.Name '_H_chem_shift_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the hydrogen chemical shift data as ASCII text in the text block that is the value to the '_H_chem_shift_constraint_list.Text_data' tag. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_chem_shift_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_list.Text_data' _Item.ID 6427 _Item.Name '_H_chem_shift_constraint_list.Text_data' _Item.Description ; A set of hydrogen chemical shift constraint data formatted as ASCII text. ; _Item.Category_ID 429 _Item.Category_label $H_chem_shift_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_H_chem_shift_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode H_chem_shift_constraint_expt _Category.ID 430 _Category.Name 'H_chem_shift_constraint_expt' _category.Description ; Items in the H_chem_shift_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported 1H chemical shift constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 101 _Category.Category_group_name H_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6428 $_H_chem_shift_constraint_expt.Experiment_ID '_H_chem_shift_constraint_expt.Experiment_ID' 6436 $_H_chem_shift_constraint_expt.Entry_ID '_H_chem_shift_constraint_expt.Entry_ID' 6437 $_H_chem_shift_constraint_expt.H_chem_shift_constraint_list_ID '_H_chem_shift_constraint_expt.H_chem_shift_constraint_list_ID' 430 NMR-STAR stop_ save_ save__H_chem_shift_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Experiment_ID' _Item.ID 6428 _Item.Name '_H_chem_shift_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Experiment_name' _Item.ID 6429 _Item.Name '_H_chem_shift_constraint_expt.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__H_chem_shift_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Method_ID' _Item.ID 6430 _Item.Name '_H_chem_shift_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Method_label' _Item.ID 6431 _Item.Name '_H_chem_shift_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_chem_shift_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Sample_ID' _Item.ID 6432 _Item.Name '_H_chem_shift_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Sample_label' _Item.ID 6433 _Item.Name '_H_chem_shift_constraint_expt.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_chem_shift_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Sample_state' _Item.ID 6434 _Item.Name '_H_chem_shift_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_H_chem_shift_constraint_expt.Sample_state' isotropic ? 6434 430 NMR-STAR '_H_chem_shift_constraint_expt.Sample_state' anisotropic ? 6434 430 NMR-STAR '_H_chem_shift_constraint_expt.Sample_state' solid ? 6434 430 NMR-STAR stop_ save_ save__H_chem_shift_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Sf_ID' _Item.ID 6435 _Item.Name '_H_chem_shift_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_H_chem_shift_constraint_list.Sf_ID' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.Entry_ID' _Item.ID 6436 _Item.Name '_H_chem_shift_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint_expt.H_chem_shift_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_expt.H_chem_shift_constraint_list_ID' _Item.ID 6437 _Item.Name '_H_chem_shift_constraint_expt.H_chem_shift_constraint_list_ID' _Item.Description ; Pointer to '_H_chem_shift_constraint_list.ID' ; _Item.Category_ID 430 _Item.Category_label $H_chem_shift_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_chem_shift_constraint_software _Category.Sf_category category_description _Category.Sf_framecode H_chem_shift_constraint_software _Category.ID 431 _Category.Name 'H_chem_shift_constraint_software' _category.Description ; Items in the H_chem_shift_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 101 _Category.Category_group_name H_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6438 $_H_chem_shift_constraint_software.Software_ID '_H_chem_shift_constraint_software.Software_ID' 6443 $_H_chem_shift_constraint_software.Entry_ID '_H_chem_shift_constraint_software.Entry_ID' 6444 $_H_chem_shift_constraint_software.H_chem_shift_constraint_list_ID '_H_chem_shift_constraint_software.H_chem_shift_constraint_list_ID' 431 NMR-STAR stop_ save_ save__H_chem_shift_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.Software_ID' _Item.ID 6438 _Item.Name '_H_chem_shift_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.Software_label' _Item.ID 6439 _Item.Name '_H_chem_shift_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__H_chem_shift_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.Method_ID' _Item.ID 6440 _Item.Name '_H_chem_shift_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.Method_label' _Item.ID 6441 _Item.Name '_H_chem_shift_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__H_chem_shift_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.Sf_ID' _Item.ID 6442 _Item.Name '_H_chem_shift_constraint_software.Sf_ID' _Item.Description ; Pointer to '_H_chem_shift_constraint_list.Sf_ID' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.Entry_ID' _Item.ID 6443 _Item.Name '_H_chem_shift_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint_software.H_chem_shift_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint_software.H_chem_shift_constraint_list_ID' _Item.ID 6444 _Item.Name '_H_chem_shift_constraint_software.H_chem_shift_constraint_list_ID' _Item.Description ; Pointer to '_H_chem_shift_constraint_list.ID' ; _Item.Category_ID 431 _Item.Category_label $H_chem_shift_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_H_chem_shift_constraint _Category.Sf_category category_description _Category.Sf_framecode H_chem_shift_constraint _Category.ID 432 _Category.Name 'H_chem_shift_constraint' _category.Description ; Items in the H_chem_shift_constraint category describe the 1H chemical shift value used as a constraint in calculating the structure of a molecular assembly. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 101 _Category.Category_group_name H_chem_shift_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6445 $_H_chem_shift_constraint.ID '_H_chem_shift_constraint.ID' 6465 $_H_chem_shift_constraint.Entry_ID '_H_chem_shift_constraint.Entry_ID' 6466 $_H_chem_shift_constraint.H_chem_shift_constraint_list_ID '_H_chem_shift_constraint.H_chem_shift_constraint_list_ID' 432 NMR-STAR stop_ save_ save__H_chem_shift_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.ID' _Item.ID 6445 _Item.Name '_H_chem_shift_constraint.ID' _Item.Description ; Unique identifier for a reported proton chemical shift constraint in the list contained within one save frame. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Assembly_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Assembly_atom_ID' _Item.ID 6446 _Item.Name '_H_chem_shift_constraint.Assembly_atom_ID' _Item.Description ; Pointer to '_Atom.Assembly_atom_ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Entity_assembly_ID' _Item.ID 6447 _Item.Name '_H_chem_shift_constraint.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Entity_ID' _Item.ID 6448 _Item.Name '_H_chem_shift_constraint.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Comp_index_ID' _Item.ID 6449 _Item.Name '_H_chem_shift_constraint.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Seq_ID' _Item.ID 6450 _Item.Name '_H_chem_shift_constraint.Seq_ID' _Item.Description ; Pointer to '_Entity_poly_seq.Num' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Comp_ID' _Item.ID 6451 _Item.Name '_H_chem_shift_constraint.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint.Atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Atom_ID' _Item.ID 6452 _Item.Name '_H_chem_shift_constraint.Atom_ID' _Item.Description ; Pointer to '_Chem_comp_atom.Atom_ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'atcode' save_ save__H_chem_shift_constraint.Atom_type _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Atom_type' _Item.ID 6453 _Item.Name '_H_chem_shift_constraint.Atom_type' _Item.Description ; The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc). ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint.Atom_isotope_number _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Atom_isotope_number' _Item.ID 6454 _Item.Name '_H_chem_shift_constraint.Atom_isotope_number' _Item.Description ; The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Resonance_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Resonance_ID' _Item.ID 6455 _Item.Name '_H_chem_shift_constraint.Resonance_ID' _Item.Description ; Pointer to '_Resonance.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Chem_shift_val _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Chem_shift_val' _Item.ID 6456 _Item.Name '_H_chem_shift_constraint.Chem_shift_val' _Item.Description ; The value for the H chemical shift. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__H_chem_shift_constraint.Chem_shift_val_err _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Chem_shift_val_err' _Item.ID 6457 _Item.Name '_H_chem_shift_constraint.Chem_shift_val_err' _Item.Description ; Estimated error in the H chemical shift. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__H_chem_shift_constraint.Source_experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Source_experiment_ID' _Item.ID 6458 _Item.Name '_H_chem_shift_constraint.Source_experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Auth_asym_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Auth_asym_ID' _Item.ID 6459 _Item.Name '_H_chem_shift_constraint.Auth_asym_ID' _Item.Description ; An alternative identifier for Asym_ID that may be provided by an author. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_chem_shift_constraint.Auth_entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Auth_entity_assembly_ID' _Item.ID 6460 _Item.Name '_H_chem_shift_constraint.Auth_entity_assembly_ID' _Item.Description ; An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Auth_seq_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Auth_seq_ID' _Item.ID 6461 _Item.Name '_H_chem_shift_constraint.Auth_seq_ID' _Item.Description ; An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_chem_shift_constraint.Auth_comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Auth_comp_ID' _Item.ID 6462 _Item.Name '_H_chem_shift_constraint.Auth_comp_ID' _Item.Description ; An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_chem_shift_constraint.Auth_atom_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Auth_atom_ID' _Item.ID 6463 _Item.Name '_H_chem_shift_constraint.Auth_atom_ID' _Item.Description ; An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code no _Item.Type_code 'code' save_ save__H_chem_shift_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Sf_ID' _Item.ID 6464 _Item.Name '_H_chem_shift_constraint.Sf_ID' _Item.Description ; Pointer to '_H_chem_shift_constraint_list.Sf_ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__H_chem_shift_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.Entry_ID' _Item.ID 6465 _Item.Name '_H_chem_shift_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__H_chem_shift_constraint.H_chem_shift_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_H_chem_shift_constraint.H_chem_shift_constraint_list_ID' _Item.ID 6466 _Item.Name '_H_chem_shift_constraint.H_chem_shift_constraint_list_ID' _Item.Description ; Pointer to '_H_chem_shift_constraint_list.ID' ; _Item.Category_ID 432 _Item.Category_label $H_chem_shift_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Peak_constraint_link_list _Category.Sf_category category_description _Category.Sf_framecode Peak_constraint_link_list _Category.ID 433 _Category.Name 'Peak_constraint_link_list' _category.Description ; Items in the peak_constraint_link_list category provide the links between experimental data items and the derived constraints. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 102 _Category.Category_group_name peak_constraint_links _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6469 $_Peak_constraint_link_list.Entry_ID '_Peak_constraint_link_list.Entry_ID' 6471 $_Peak_constraint_link_list.ID '_Peak_constraint_link_list.ID' 433 NMR-STAR stop_ save_ save__Peak_constraint_link_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link_list.Sf_category' _Item.ID 6467 _Item.Name '_Peak_constraint_link_list.Sf_category' _Item.Description ; Category definition for the information content of the saveframe ; _Item.Category_ID 433 _Item.Category_label $Peak_constraint_link_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_constraint_link_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link_list.Sf_framecode' _Item.ID 6468 _Item.Name '_Peak_constraint_link_list.Sf_framecode' _Item.Description ; A label for the saveframe that describes in very brief terms the information contained in the saveframe. ; _Item.Category_ID 433 _Item.Category_label $Peak_constraint_link_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Peak_constraint_link_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link_list.Entry_ID' _Item.ID 6469 _Item.Name '_Peak_constraint_link_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 433 _Item.Category_label $Peak_constraint_link_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_constraint_link_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link_list.Sf_ID' _Item.ID 6470 _Item.Name '_Peak_constraint_link_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the saveframe that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 433 _Item.Category_label $Peak_constraint_link_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Peak_constraint_link_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link_list.ID' _Item.ID 6471 _Item.Name '_Peak_constraint_link_list.ID' _Item.Description ; Unique identifier for the reported list of linked spectral peaks and constraints. ; _Item.Category_ID 433 _Item.Category_label $Peak_constraint_link_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Peak_constraint_link_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link_list.Name' _Item.ID 6472 _Item.Name '_Peak_constraint_link_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 433 _Item.Category_label $Peak_constraint_link_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Peak_constraint_link _Category.Sf_category category_description _Category.Sf_framecode Peak_constraint_link _Category.ID 434 _Category.Name 'Peak_constraint_link' _category.Description ; Items in the peak_constraint_iink category provide the specific experimental data item and the derived constraint links. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 102 _Category.Category_group_name peak_constraint_links _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6473 $_Peak_constraint_link.ID '_Peak_constraint_link.ID' 6484 $_Peak_constraint_link.Entry_ID '_Peak_constraint_link.Entry_ID' 6485 $_Peak_constraint_link.Peak_constraint_link_list_ID '_Peak_constraint_link.Peak_constraint_link_list_ID' 434 NMR-STAR stop_ save_ save__Peak_constraint_link.ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.ID' _Item.ID 6473 _Item.Name '_Peak_constraint_link.ID' _Item.Description ; Unique identifier for the linked spectral peak and constraint. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_constraint_link.Spectral_Peak_list_Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Spectral_Peak_list_Sf_framecode' _Item.ID 6474 _Item.Name '_Peak_constraint_link.Spectral_Peak_list_Sf_framecode' _Item.Description ; A pointer to the Sf_framecode for the save frame where the spectral peak list is found. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Peak_constraint_link.Spectral_peak_list_Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Spectral_peak_list_Sf_category' _Item.ID 6475 _Item.Name '_Peak_constraint_link.Spectral_peak_list_Sf_category' _Item.Description ; The category for the spectral peak list. This value is the same for all spectral peak list save frames. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Peak_constraint_link.Spectral_peak_list_Sf_category' spectral_peak_list ? 6475 434 NMR-STAR '_Peak_constraint_link.Spectral_peak_list_Sf_category' assigned_chemical_shifts ? 6475 434 NMR-STAR '_Peak_constraint_link.Spectral_peak_list_Sf_category' coupling_constants ? 6475 434 NMR-STAR stop_ save_ save__Peak_constraint_link.Spectral_peak_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Spectral_peak_list_ID' _Item.ID 6476 _Item.Name '_Peak_constraint_link.Spectral_peak_list_ID' _Item.Description ; A pointer to the unique ID for the save frame of category 'spectral_peak_list'. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_constraint_link.Peak_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Peak_ID' _Item.ID 6477 _Item.Name '_Peak_constraint_link.Peak_ID' _Item.Description ; A pointer to the tag '_Peak.ID' in the specified spectral peak list save frame. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_constraint_link.Constraint_Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Constraint_Sf_framecode' _Item.ID 6478 _Item.Name '_Peak_constraint_link.Constraint_Sf_framecode' _Item.Description ; A pointer to the Sf_framecode for the save frame where the linked constraint is found. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Peak_constraint_link.Constraint_Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Constraint_Sf_category' _Item.ID 6479 _Item.Name '_Peak_constraint_link.Constraint_Sf_category' _Item.Description ; The category for the constraint save frame where the linked constraint is found. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code yes loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Peak_constraint_link.Constraint_Sf_category' RDC_constraints ? 6479 434 NMR-STAR '_Peak_constraint_link.Constraint_Sf_category' general_distance_constraints ? 6479 434 NMR-STAR '_Peak_constraint_link.Constraint_Sf_category' distance_constraints ? 6479 434 NMR-STAR '_Peak_constraint_link.Constraint_Sf_category' torsion_angle_constraints ? 6479 434 NMR-STAR stop_ save_ save__Peak_constraint_link.Constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Constraint_list_ID' _Item.ID 6480 _Item.Name '_Peak_constraint_link.Constraint_list_ID' _Item.Description ; A pointer to the unique ID for the save frame of the category for the linked constraint. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_constraint_link.Constraint_ID_item_category _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Constraint_ID_item_category' _Item.ID 6481 _Item.Name '_Peak_constraint_link.Constraint_ID_item_category' _Item.Description ; The item category for the constraint kind of constraint that has been derived from the linked experimental data values. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Peak_constraint_link.Constraint_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Constraint_ID' _Item.ID 6482 _Item.Name '_Peak_constraint_link.Constraint_ID' _Item.Description ; A pointer to the tag that is the unique ID for the linked constraint. ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_constraint_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Sf_ID' _Item.ID 6483 _Item.Name '_Peak_constraint_link.Sf_ID' _Item.Description ; Pointer to '_Peak_constraint_link_list.Sf_ID' ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Peak_constraint_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Entry_ID' _Item.ID 6484 _Item.Name '_Peak_constraint_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Peak_constraint_link.Peak_constraint_link_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Peak_constraint_link.Peak_constraint_link_list_ID' _Item.ID 6485 _Item.Name '_Peak_constraint_link.Peak_constraint_link_list_ID' _Item.Description ; Pointer to '_Peak_constraint_link_list.ID' ; _Item.Category_ID 434 _Item.Category_label $Peak_constraint_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_SAXS_constraint_list _Category.Sf_category category_description _Category.Sf_framecode SAXS_constraint_list _Category.ID 435 _Category.Name 'SAXS_constraint_list' _category.Description ; Items in the SAXS_constraint_list category provide information about the list of reported SAXS constraint data. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 103 _Category.Category_group_name SAXS_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6488 $_SAXS_constraint_list.Entry_ID '_SAXS_constraint_list.Entry_ID' 6490 $_SAXS_constraint_list.ID '_SAXS_constraint_list.ID' 435 NMR-STAR stop_ save_ save__SAXS_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Sf_category' _Item.ID 6486 _Item.Name '_SAXS_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Sf_framecode' _Item.ID 6487 _Item.Name '_SAXS_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' _Item.Default_value '?' save_ save__SAXS_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Entry_ID' _Item.ID 6488 _Item.Name '_SAXS_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Sf_ID' _Item.ID 6489 _Item.Name '_SAXS_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__SAXS_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.ID' _Item.ID 6490 _Item.Name '_SAXS_constraint_list.ID' _Item.Description ; A unique identifier for the list of SAXS data. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__SAXS_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Name' _Item.ID 6491 _Item.Name '_SAXS_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__SAXS_constraint_list.Data_file_name _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Data_file_name' _Item.ID 6492 _Item.Name '_SAXS_constraint_list.Data_file_name' _Item.Description ; The name of the file submitted with this depostion that contains the quantitative data for this save frame. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__SAXS_constraint_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Sample_condition_list_ID' _Item.ID 6493 _Item.Name '_SAXS_constraint_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Sample_condition_list_label' _Item.ID 6494 _Item.Name '_SAXS_constraint_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the SAXS data. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__SAXS_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Details' _Item.ID 6495 _Item.Name '_SAXS_constraint_list.Details' _Item.Description ; Text describing the reported SAXS data. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__SAXS_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Text_data_format' _Item.ID 6496 _Item.Name '_SAXS_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the SAXS data as ASCII text in the text block that is the value to the '_SAXS_constraint_list.Text_data' tag. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__SAXS_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_list.Text_data' _Item.ID 6497 _Item.Name '_SAXS_constraint_list.Text_data' _Item.Description ; A set of SAXS data formatted as ASCII text. ; _Item.Category_ID 435 _Item.Category_label $SAXS_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_SAXS_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode SAXS_constraint_expt _Category.ID 436 _Category.Name 'SAXS_constraint_expt' _category.Description ; Items in the SAXS_constraint_expt category provide pointers to the SAXS experiments used to collect the data reported in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 103 _Category.Category_group_name SAXS_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6498 $_SAXS_constraint_expt.Experiment_ID '_SAXS_constraint_expt.Experiment_ID' 6500 $_SAXS_constraint_expt.Sample_ID '_SAXS_constraint_expt.Sample_ID' 6503 $_SAXS_constraint_expt.Entry_ID '_SAXS_constraint_expt.Entry_ID' 6504 $_SAXS_constraint_expt.SAXS_constraint_list_ID '_SAXS_constraint_expt.SAXS_constraint_list_ID' 436 NMR-STAR stop_ save_ save__SAXS_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.Experiment_ID' _Item.ID 6498 _Item.Name '_SAXS_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.Experiment_name' _Item.ID 6499 _Item.Name '_SAXS_constraint_expt.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__SAXS_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.Sample_ID' _Item.ID 6500 _Item.Name '_SAXS_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.Sample_label' _Item.ID 6501 _Item.Name '_SAXS_constraint_expt.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__SAXS_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.Sf_ID' _Item.ID 6502 _Item.Name '_SAXS_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_SAXS_constraint_list.Sf_ID' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.Entry_ID' _Item.ID 6503 _Item.Name '_SAXS_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_constraint_expt.SAXS_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_expt.SAXS_constraint_list_ID' _Item.ID 6504 _Item.Name '_SAXS_constraint_expt.SAXS_constraint_list_ID' _Item.Description ; Pointer to '_SAXS_constraint_list.ID' ; _Item.Category_ID 436 _Item.Category_label $SAXS_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_SAXS_constraint_software _Category.Sf_category category_description _Category.Sf_framecode SAXS_constraint_software _Category.ID 437 _Category.Name 'SAXS_constraint_software' _category.Description ; Items in the SAXS_constraint_software category provide the links to the software used to process and analyze the SAXS data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 103 _Category.Category_group_name SAXS_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6505 $_SAXS_constraint_software.Software_ID '_SAXS_constraint_software.Software_ID' 6510 $_SAXS_constraint_software.Entry_ID '_SAXS_constraint_software.Entry_ID' 6511 $_SAXS_constraint_software.SAXS_constraint_list_ID '_SAXS_constraint_software.SAXS_constraint_list_ID' 437 NMR-STAR stop_ save_ save__SAXS_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.Software_ID' _Item.ID 6505 _Item.Name '_SAXS_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.Software_label' _Item.ID 6506 _Item.Name '_SAXS_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__SAXS_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.Method_ID' _Item.ID 6507 _Item.Name '_SAXS_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__SAXS_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.Method_label' _Item.ID 6508 _Item.Name '_SAXS_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__SAXS_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.Sf_ID' _Item.ID 6509 _Item.Name '_SAXS_constraint_software.Sf_ID' _Item.Description ; Pointer to '_SAXS_constraint_list.Sf_ID' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.Entry_ID' _Item.ID 6510 _Item.Name '_SAXS_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_constraint_software.SAXS_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint_software.SAXS_constraint_list_ID' _Item.ID 6511 _Item.Name '_SAXS_constraint_software.SAXS_constraint_list_ID' _Item.Description ; Pointer to '_SAXS_constraint_list.ID' ; _Item.Category_ID 437 _Item.Category_label $SAXS_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_SAXS_constraint _Category.Sf_category category_description _Category.Sf_framecode SAXS_constraint _Category.ID 438 _Category.Name 'SAXS_constraint' _category.Description ; Items in the SAXS_constraint category define the SAXS data values. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 103 _Category.Category_group_name SAXS_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6512 $_SAXS_constraint.ID '_SAXS_constraint.ID' 6518 $_SAXS_constraint.Entry_ID '_SAXS_constraint.Entry_ID' 6519 $_SAXS_constraint.SAXS_constraint_list_ID '_SAXS_constraint.SAXS_constraint_list_ID' 438 NMR-STAR stop_ save_ save__SAXS_constraint.ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.ID' _Item.ID 6512 _Item.Name '_SAXS_constraint.ID' _Item.Description ; Unique identifier for the observed SAXS data item. ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint.Q_value _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.Q_value' _Item.ID 6513 _Item.Name '_SAXS_constraint.Q_value' _Item.Description ; SAXS Q value ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__SAXS_constraint.Intensity_val _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.Intensity_val' _Item.ID 6514 _Item.Name '_SAXS_constraint.Intensity_val' _Item.Description ; SAXS intensity value ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__SAXS_constraint.Intensity_val_err _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.Intensity_val_err' _Item.ID 6515 _Item.Name '_SAXS_constraint.Intensity_val_err' _Item.Description ; SAXS intensity value error. ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__SAXS_constraint.Weight_val _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.Weight_val' _Item.ID 6516 _Item.Name '_SAXS_constraint.Weight_val' _Item.Description ; SAXS weighting value assigned to the data point. ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code no _Item.Type_code 'float' save_ save__SAXS_constraint.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.Sf_ID' _Item.ID 6517 _Item.Name '_SAXS_constraint.Sf_ID' _Item.Description ; Pointer to '_SAXS_constraint_list.Sf_ID' ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__SAXS_constraint.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.Entry_ID' _Item.ID 6518 _Item.Name '_SAXS_constraint.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__SAXS_constraint.SAXS_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_SAXS_constraint.SAXS_constraint_list_ID' _Item.ID 6519 _Item.Name '_SAXS_constraint.SAXS_constraint_list_ID' _Item.Description ; Pointer to '_SAXS_constraint_list.ID' ; _Item.Category_ID 438 _Item.Category_label $SAXS_constraint _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Other_constraint_list _Category.Sf_category category_description _Category.Sf_framecode Other_constraint_list _Category.ID 439 _Category.Name 'Other_constraint_list' _category.Description ; Items in the other_constraint_list category provide information about a list of reported constraint values that do not fit in any of the specifically defined constraint categories. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 104 _Category.Category_group_name other_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6522 $_Other_constraint_list.Entry_ID '_Other_constraint_list.Entry_ID' 6524 $_Other_constraint_list.ID '_Other_constraint_list.ID' 439 NMR-STAR stop_ save_ save__Other_constraint_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Sf_category' _Item.ID 6520 _Item.Name '_Other_constraint_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_constraint_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Sf_framecode' _Item.ID 6521 _Item.Name '_Other_constraint_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Other_constraint_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Entry_ID' _Item.ID 6522 _Item.Name '_Other_constraint_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_constraint_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Sf_ID' _Item.ID 6523 _Item.Name '_Other_constraint_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Other_constraint_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.ID' _Item.ID 6524 _Item.Name '_Other_constraint_list.ID' _Item.Description ; Unique identifier for the list of constraints classified as 'other.' ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Other_constraint_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Name' _Item.ID 6525 _Item.Name '_Other_constraint_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_constraint_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Details' _Item.ID 6526 _Item.Name '_Other_constraint_list.Details' _Item.Description ; Text description providing additional information about the reported constraints. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Other_constraint_list.Entity_assembly_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Entity_assembly_ID' _Item.ID 6527 _Item.Name '_Other_constraint_list.Entity_assembly_ID' _Item.Description ; Pointer to '_Entity_assembly.ID' ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_constraint_list.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Entity_ID' _Item.ID 6528 _Item.Name '_Other_constraint_list.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_constraint_list.Type _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Type' _Item.ID 6529 _Item.Name '_Other_constraint_list.Type' _Item.Description ; The type of reported constraint. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Other_constraint_list.Subtype _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Subtype' _Item.ID 6530 _Item.Name '_Other_constraint_list.Subtype' _Item.Description ; A subclassification for the type of reported constraint. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Other_constraint_list.File_name _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.File_name' _Item.ID 6531 _Item.Name '_Other_constraint_list.File_name' _Item.Description ; Name of the file that contains the 'other' constraints. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_constraint_list.File_format _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.File_format' _Item.ID 6532 _Item.Name '_Other_constraint_list.File_format' _Item.Description ; The format in which the constraint data are provided. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__Other_constraint_list.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Constraint_file_ID' _Item.ID 6533 _Item.Name '_Other_constraint_list.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_constraint_list.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Block_ID' _Item.ID 6534 _Item.Name '_Other_constraint_list.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_constraint_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Text_data_format' _Item.ID 6535 _Item.Name '_Other_constraint_list.Text_data_format' _Item.Description ; The data format used to represent the other constraint data as ASCII text in the text block that is the value to the '_Other_constraint_list.Text_data' tag. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_constraint_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_list.Text_data' _Item.ID 6536 _Item.Name '_Other_constraint_list.Text_data' _Item.Description ; The constraint data in a text format. This will be a large block of text. ; _Item.Category_ID 439 _Item.Category_label $Other_constraint_list _Item.Mandatory_code yes _Item.Type_code 'text' save_ save_Other_constraint_expt _Category.Sf_category category_description _Category.Sf_framecode Other_constraint_expt _Category.ID 440 _Category.Name 'Other_constraint_expt' _category.Description ; Items in the other_constraint_expt category provide pointers to the NMR experiments and samples used to collect the data for a set of reported constraints. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 104 _Category.Category_group_name other_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6537 $_Other_constraint_expt.Experiment_ID '_Other_constraint_expt.Experiment_ID' 6545 $_Other_constraint_expt.Entry_ID '_Other_constraint_expt.Entry_ID' 6546 $_Other_constraint_expt.Other_constraint_list_ID '_Other_constraint_expt.Other_constraint_list_ID' 440 NMR-STAR stop_ save_ save__Other_constraint_expt.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Experiment_ID' _Item.ID 6537 _Item.Name '_Other_constraint_expt.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_constraint_expt.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Experiment_name' _Item.ID 6538 _Item.Name '_Other_constraint_expt.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Other_constraint_expt.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Method_ID' _Item.ID 6539 _Item.Name '_Other_constraint_expt.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_constraint_expt.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Method_label' _Item.ID 6540 _Item.Name '_Other_constraint_expt.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Other_constraint_expt.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Sample_ID' _Item.ID 6541 _Item.Name '_Other_constraint_expt.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_constraint_expt.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Sample_label' _Item.ID 6542 _Item.Name '_Other_constraint_expt.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Other_constraint_expt.Sample_state _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Sample_state' _Item.ID 6543 _Item.Name '_Other_constraint_expt.Sample_state' _Item.Description ; Physical state of the sample either anisotropic or isotropic. ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code no _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Other_constraint_expt.Sample_state' isotropic ? 6543 440 NMR-STAR '_Other_constraint_expt.Sample_state' anisotropic ? 6543 440 NMR-STAR '_Other_constraint_expt.Sample_state' solid ? 6543 440 NMR-STAR stop_ save_ save__Other_constraint_expt.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Sf_ID' _Item.ID 6544 _Item.Name '_Other_constraint_expt.Sf_ID' _Item.Description ; Pointer to '_Other_constraint_list.Sf_ID' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_constraint_expt.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Entry_ID' _Item.ID 6545 _Item.Name '_Other_constraint_expt.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_constraint_expt.Other_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_expt.Other_constraint_list_ID' _Item.ID 6546 _Item.Name '_Other_constraint_expt.Other_constraint_list_ID' _Item.Description ; Pointer to '_Other_constraint_list.ID' ; _Item.Category_ID 440 _Item.Category_label $Other_constraint_expt _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Other_constraint_software _Category.Sf_category category_description _Category.Sf_framecode Other_constraint_software _Category.ID 441 _Category.Name 'Other_constraint_software' _category.Description ; Items in the other_constraint_software category provide pointers to the software category and methods category where descriptions of software applications and methods can be found. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 104 _Category.Category_group_name other_constraints _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6547 $_Other_constraint_software.Software_ID '_Other_constraint_software.Software_ID' 6552 $_Other_constraint_software.Entry_ID '_Other_constraint_software.Entry_ID' 6553 $_Other_constraint_software.Other_constraint_list_ID '_Other_constraint_software.Other_constraint_list_ID' 441 NMR-STAR stop_ save_ save__Other_constraint_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Software_ID' _Item.ID 6547 _Item.Name '_Other_constraint_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_constraint_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Software_label' _Item.ID 6548 _Item.Name '_Other_constraint_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Other_constraint_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Method_ID' _Item.ID 6549 _Item.Name '_Other_constraint_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Other_constraint_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Method_label' _Item.ID 6550 _Item.Name '_Other_constraint_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Other_constraint_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Sf_ID' _Item.ID 6551 _Item.Name '_Other_constraint_software.Sf_ID' _Item.Description ; Pointer to '_Other_constraint_list.Sf_ID' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Other_constraint_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Entry_ID' _Item.ID 6552 _Item.Name '_Other_constraint_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Other_constraint_software.Other_constraint_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Other_constraint_software.Other_constraint_list_ID' _Item.ID 6553 _Item.Name '_Other_constraint_software.Other_constraint_list_ID' _Item.Description ; Pointer to '_Other_constraint_list.ID' ; _Item.Category_ID 441 _Item.Category_label $Other_constraint_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Org_constr_file_comment _Category.Sf_category category_description _Category.Sf_framecode Org_constr_file_comment _Category.ID 442 _Category.Name 'Org_constr_file_comment' _category.Description ; Items in the org_constr_file_comment provide a place to capture comments extracted from parsed original deposited constraint files. ; _Category.Loop_code no _Category.Category_group_ID 105 _Category.Category_group_name org_constr_file_comment _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6556 $_Org_constr_file_comment.Entry_ID '_Org_constr_file_comment.Entry_ID' 6558 $_Org_constr_file_comment.ID '_Org_constr_file_comment.ID' 442 NMR-STAR stop_ save_ save__Org_constr_file_comment.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Sf_category' _Item.ID 6554 _Item.Name '_Org_constr_file_comment.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'code' save_ save__Org_constr_file_comment.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Sf_framecode' _Item.ID 6555 _Item.Name '_Org_constr_file_comment.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Org_constr_file_comment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Entry_ID' _Item.ID 6556 _Item.Name '_Org_constr_file_comment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Org_constr_file_comment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Sf_ID' _Item.ID 6557 _Item.Name '_Org_constr_file_comment.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Org_constr_file_comment.ID _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.ID' _Item.ID 6558 _Item.Name '_Org_constr_file_comment.ID' _Item.Description ; Local unique identifier for the listed comment. ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Org_constr_file_comment.Constraint_file_ID _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Constraint_file_ID' _Item.ID 6559 _Item.Name '_Org_constr_file_comment.Constraint_file_ID' _Item.Description ; Pointer to '_Constraint_file.ID' ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Org_constr_file_comment.Block_ID _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Block_ID' _Item.ID 6560 _Item.Name '_Org_constr_file_comment.Block_ID' _Item.Description ; Pointer to '_Constraint_file.Block_ID' ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Org_constr_file_comment.Details _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Details' _Item.ID 6561 _Item.Name '_Org_constr_file_comment.Details' _Item.Description ; Text describing the comment or the significance of the listed comment. ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Org_constr_file_comment.Comment _Item.Sf_category item_description _Item.Sf_framecode '_Org_constr_file_comment.Comment' _Item.ID 6562 _Item.Name '_Org_constr_file_comment.Comment' _Item.Description ; A comment extracted from an original constraint file. ; _Item.Category_ID 442 _Item.Category_label $Org_constr_file_comment _Item.Mandatory_code no _Item.Type_code 'text' save_ save_MZ_ratio_data_list _Category.Sf_category category_description _Category.Sf_framecode MZ_ratio_data_list _Category.ID 443 _Category.Name 'MZ_ratio_data_list' _category.Description ; Items in the MZ_ratio_data_list category provide the links to information relavent to a mass spec experiment and other meta data for the reported results of the experiment. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6565 $_MZ_ratio_data_list.Entry_ID '_MZ_ratio_data_list.Entry_ID' 6567 $_MZ_ratio_data_list.ID '_MZ_ratio_data_list.ID' 443 NMR-STAR stop_ save_ save__MZ_ratio_data_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Sf_category' _Item.ID 6563 _Item.Name '_MZ_ratio_data_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_ratio_data_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Sf_framecode' _Item.ID 6564 _Item.Name '_MZ_ratio_data_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MZ_ratio_data_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Entry_ID' _Item.ID 6565 _Item.Name '_MZ_ratio_data_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_ratio_data_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Sf_ID' _Item.ID 6566 _Item.Name '_MZ_ratio_data_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MZ_ratio_data_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.ID' _Item.ID 6567 _Item.Name '_MZ_ratio_data_list.ID' _Item.Description ; Unique identifier for the list of reported mass spectral MZ values. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MZ_ratio_data_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Name' _Item.ID 6568 _Item.Name '_MZ_ratio_data_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MZ_ratio_data_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Sample_condition_list_ID' _Item.ID 6569 _Item.Name '_MZ_ratio_data_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_data_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Sample_condition_list_label' _Item.ID 6570 _Item.Name '_MZ_ratio_data_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the MZ ratio values. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MZ_ratio_data_list.Mass_spec_ref_compd_set_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Mass_spec_ref_compd_set_ID' _Item.ID 6571 _Item.Name '_MZ_ratio_data_list.Mass_spec_ref_compd_set_ID' _Item.Description ; Pointer to '_Mass_spec_ref_compd_set.ID' ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_ratio_data_list.Mass_spec_ref_compd_set_label _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Mass_spec_ref_compd_set_label' _Item.ID 6572 _Item.Name '_MZ_ratio_data_list.Mass_spec_ref_compd_set_label' _Item.Description ; Pointer to a save frame of the category 'Mass spec ref compd set' ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MZ_ratio_data_list.Mass_spec_ref_compd_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Mass_spec_ref_compd_ID' _Item.ID 6573 _Item.Name '_MZ_ratio_data_list.Mass_spec_ref_compd_ID' _Item.Description ; Pointer to '_Mass_spec_ref_compd.ID' ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_ratio_data_list.MZ_error_units _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.MZ_error_units' _Item.ID 6574 _Item.Name '_MZ_ratio_data_list.MZ_error_units' _Item.Description ; Units for the reported MZ error values. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MZ_ratio_data_list.Intensity_units _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Intensity_units' _Item.ID 6575 _Item.Name '_MZ_ratio_data_list.Intensity_units' _Item.Description ; Units for the reported intensity values. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MZ_ratio_data_list.Error_derivation_method _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Error_derivation_method' _Item.ID 6576 _Item.Name '_MZ_ratio_data_list.Error_derivation_method' _Item.Description ; Method used to derive the reported error values. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MZ_ratio_data_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Details' _Item.ID 6577 _Item.Name '_MZ_ratio_data_list.Details' _Item.Description ; Text describing the reported MZ ratio values. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__MZ_ratio_data_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Text_data_format' _Item.ID 6578 _Item.Name '_MZ_ratio_data_list.Text_data_format' _Item.Description ; The data format used to represent the MZ ratio data as ASCII text in the text block that is the value to the '_MZ_ratio_data_list.Text_data' tag. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MZ_ratio_data_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_data_list.Text_data' _Item.ID 6579 _Item.Name '_MZ_ratio_data_list.Text_data' _Item.Description ; A set of MZ ratio data formatted as ASCII text. ; _Item.Category_ID 443 _Item.Category_label $MZ_ratio_data_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_MZ_ratio_experiment _Category.Sf_category category_description _Category.Sf_framecode MZ_ratio_experiment _Category.ID 444 _Category.Name 'MZ_ratio_experiment' _category.Description ; Items in the MZ_ratio_experiment category provide links to the mass spect experiment description and the samples used. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6580 $_MZ_ratio_experiment.Experiment_ID '_MZ_ratio_experiment.Experiment_ID' 6585 $_MZ_ratio_experiment.Entry_ID '_MZ_ratio_experiment.Entry_ID' 6586 $_MZ_ratio_experiment.MZ_ratio_data_list_ID '_MZ_ratio_experiment.MZ_ratio_data_list_ID' 444 NMR-STAR stop_ save_ save__MZ_ratio_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.Experiment_ID' _Item.ID 6580 _Item.Name '_MZ_ratio_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.Experiment_name' _Item.ID 6581 _Item.Name '_MZ_ratio_experiment.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MZ_ratio_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.Sample_ID' _Item.ID 6582 _Item.Name '_MZ_ratio_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_ratio_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.Sample_label' _Item.ID 6583 _Item.Name '_MZ_ratio_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MZ_ratio_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.Sf_ID' _Item.ID 6584 _Item.Name '_MZ_ratio_experiment.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.Entry_ID' _Item.ID 6585 _Item.Name '_MZ_ratio_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_ratio_experiment.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_experiment.MZ_ratio_data_list_ID' _Item.ID 6586 _Item.Name '_MZ_ratio_experiment.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 444 _Item.Category_label $MZ_ratio_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MZ_ratio_software _Category.Sf_category category_description _Category.Sf_framecode MZ_ratio_software _Category.ID 445 _Category.Name 'MZ_ratio_software' _category.Description ; Items in the MZ_ratio_software category provide pointers to the software and methods used to derive the data reported in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6587 $_MZ_ratio_software.Software_ID '_MZ_ratio_software.Software_ID' 6592 $_MZ_ratio_software.Entry_ID '_MZ_ratio_software.Entry_ID' 6593 $_MZ_ratio_software.MZ_ratio_data_list_ID '_MZ_ratio_software.MZ_ratio_data_list_ID' 445 NMR-STAR stop_ save_ save__MZ_ratio_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.Software_ID' _Item.ID 6587 _Item.Name '_MZ_ratio_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.Software_label' _Item.ID 6588 _Item.Name '_MZ_ratio_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MZ_ratio_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.Method_ID' _Item.ID 6589 _Item.Name '_MZ_ratio_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_ratio_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.Method_label' _Item.ID 6590 _Item.Name '_MZ_ratio_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MZ_ratio_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.Sf_ID' _Item.ID 6591 _Item.Name '_MZ_ratio_software.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.Entry_ID' _Item.ID 6592 _Item.Name '_MZ_ratio_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_ratio_software.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_software.MZ_ratio_data_list_ID' _Item.ID 6593 _Item.Name '_MZ_ratio_software.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 445 _Item.Category_label $MZ_ratio_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MZ_ratio_spectrum_param _Category.Sf_category category_description _Category.Sf_framecode MZ_ratio_spectrum_param _Category.ID 446 _Category.Name 'MZ_ratio_spectrum_param' _category.Description ; Items in the MZ_ratio_spectrum_param category describe the paramerters and their values used to carry out the described mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6594 $_MZ_ratio_spectrum_param.ID '_MZ_ratio_spectrum_param.ID' 6599 $_MZ_ratio_spectrum_param.Entry_ID '_MZ_ratio_spectrum_param.Entry_ID' 6600 $_MZ_ratio_spectrum_param.MZ_ratio_data_list_ID '_MZ_ratio_spectrum_param.MZ_ratio_data_list_ID' 446 NMR-STAR stop_ save_ save__MZ_ratio_spectrum_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.ID' _Item.ID 6594 _Item.Name '_MZ_ratio_spectrum_param.ID' _Item.Description ; Unique identifier for the reported parameter value. ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_spectrum_param.Name _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.Name' _Item.ID 6595 _Item.Name '_MZ_ratio_spectrum_param.Name' _Item.Description ; The name given the parameter ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__MZ_ratio_spectrum_param.Value _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.Value' _Item.ID 6596 _Item.Name '_MZ_ratio_spectrum_param.Value' _Item.Description ; The value given for the parameter. ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__MZ_ratio_spectrum_param.Units _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.Units' _Item.ID 6597 _Item.Name '_MZ_ratio_spectrum_param.Units' _Item.Description ; The units used for the value of the parameter. ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MZ_ratio_spectrum_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.Sf_ID' _Item.ID 6598 _Item.Name '_MZ_ratio_spectrum_param.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_ratio_spectrum_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.Entry_ID' _Item.ID 6599 _Item.Name '_MZ_ratio_spectrum_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_ratio_spectrum_param.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_ratio_spectrum_param.MZ_ratio_data_list_ID' _Item.ID 6600 _Item.Name '_MZ_ratio_spectrum_param.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 446 _Item.Category_label $MZ_ratio_spectrum_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MZ_precursor_ion _Category.Sf_category category_description _Category.Sf_framecode MZ_precursor_ion _Category.ID 447 _Category.Name 'MZ_precursor_ion' _category.Description ; Items in the MZ_precursor_ion category provide information on the precursor ions observed in the mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6601 $_MZ_precursor_ion.ID '_MZ_precursor_ion.ID' 6609 $_MZ_precursor_ion.Entry_ID '_MZ_precursor_ion.Entry_ID' 6610 $_MZ_precursor_ion.MZ_ratio_data_list_ID '_MZ_precursor_ion.MZ_ratio_data_list_ID' 447 NMR-STAR stop_ save_ save__MZ_precursor_ion.ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.ID' _Item.ID 6601 _Item.Name '_MZ_precursor_ion.ID' _Item.Description ; Unique identifier for the observed precursor ion MZ ratio value. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MZ_precursor_ion.MZ_ratio _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.MZ_ratio' _Item.ID 6602 _Item.Name '_MZ_precursor_ion.MZ_ratio' _Item.Description ; A reported mass to charge ratio value. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__MZ_precursor_ion.MZ_ratio_err _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.MZ_ratio_err' _Item.ID 6603 _Item.Name '_MZ_precursor_ion.MZ_ratio_err' _Item.Description ; The error in the reported mass to charge ratio value. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_precursor_ion.Intensity _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.Intensity' _Item.ID 6604 _Item.Name '_MZ_precursor_ion.Intensity' _Item.Description ; The intensity of the mass to charge ratio signal. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_precursor_ion.Relative_intensity _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.Relative_intensity' _Item.ID 6605 _Item.Name '_MZ_precursor_ion.Relative_intensity' _Item.Description ; The relative intensity of the mass to charge ratio value. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_precursor_ion.S_N_ratio _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.S_N_ratio' _Item.ID 6606 _Item.Name '_MZ_precursor_ion.S_N_ratio' _Item.Description ; The signal to noise ratio of the mass to charge signal. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_precursor_ion.Full_width_half_maximum _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.Full_width_half_maximum' _Item.ID 6607 _Item.Name '_MZ_precursor_ion.Full_width_half_maximum' _Item.Description ; The full width of the mass to charge signal at half maximum intensity. ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_precursor_ion.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.Sf_ID' _Item.ID 6608 _Item.Name '_MZ_precursor_ion.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_precursor_ion.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.Entry_ID' _Item.ID 6609 _Item.Name '_MZ_precursor_ion.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_precursor_ion.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion.MZ_ratio_data_list_ID' _Item.ID 6610 _Item.Name '_MZ_precursor_ion.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 447 _Item.Category_label $MZ_precursor_ion _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MZ_precursor_ion_annotation _Category.Sf_category category_description _Category.Sf_framecode MZ_precursor_ion_annotation _Category.ID 448 _Category.Name 'MZ_precursor_ion_annotation' _category.Description ; Items in the MZ_precursor_ion_annotation category provide comments and other annotations for precursor ions observed in a mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6611 $_MZ_precursor_ion_annotation.ID '_MZ_precursor_ion_annotation.ID' 6612 $_MZ_precursor_ion_annotation.MZ_precursor_ion_ID '_MZ_precursor_ion_annotation.MZ_precursor_ion_ID' 6618 $_MZ_precursor_ion_annotation.Entry_ID '_MZ_precursor_ion_annotation.Entry_ID' 6619 $_MZ_precursor_ion_annotation.MZ_ratio_data_list_ID '_MZ_precursor_ion_annotation.MZ_ratio_data_list_ID' 448 NMR-STAR stop_ save_ save__MZ_precursor_ion_annotation.ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.ID' _Item.ID 6611 _Item.Name '_MZ_precursor_ion_annotation.ID' _Item.Description ; Unique identifier for the reported MZ ratio annotation. ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_precursor_ion_annotation.MZ_precursor_ion_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.MZ_precursor_ion_ID' _Item.ID 6612 _Item.Name '_MZ_precursor_ion_annotation.MZ_precursor_ion_ID' _Item.Description ; Pointer to '_MZ_precursor_ion.ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_precursor_ion_annotation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.Entity_ID' _Item.ID 6613 _Item.Name '_MZ_precursor_ion_annotation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_precursor_ion_annotation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.Comp_index_ID' _Item.ID 6614 _Item.Name '_MZ_precursor_ion_annotation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_precursor_ion_annotation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.Comp_ID' _Item.ID 6615 _Item.Name '_MZ_precursor_ion_annotation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MZ_precursor_ion_annotation.Chemical_composition _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.Chemical_composition' _Item.ID 6616 _Item.Name '_MZ_precursor_ion_annotation.Chemical_composition' _Item.Description ; Chemical composition of the chemical fragment assigned to the MZ ratio. ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MZ_precursor_ion_annotation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.Sf_ID' _Item.ID 6617 _Item.Name '_MZ_precursor_ion_annotation.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_precursor_ion_annotation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.Entry_ID' _Item.ID 6618 _Item.Name '_MZ_precursor_ion_annotation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_precursor_ion_annotation.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_precursor_ion_annotation.MZ_ratio_data_list_ID' _Item.ID 6619 _Item.Name '_MZ_precursor_ion_annotation.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 448 _Item.Category_label $MZ_precursor_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MZ_product_ion _Category.Sf_category category_description _Category.Sf_framecode MZ_product_ion _Category.ID 449 _Category.Name 'MZ_product_ion' _category.Description ; Items in the MZ_product_ion category provide information on product ions observed in a mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6620 $_MZ_product_ion.ID '_MZ_product_ion.ID' 6628 $_MZ_product_ion.Entry_ID '_MZ_product_ion.Entry_ID' 6629 $_MZ_product_ion.MZ_ratio_data_list_ID '_MZ_product_ion.MZ_ratio_data_list_ID' 449 NMR-STAR stop_ save_ save__MZ_product_ion.ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.ID' _Item.ID 6620 _Item.Name '_MZ_product_ion.ID' _Item.Description ; Unique identifier for the observed product ion MZ ratio value. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MZ_product_ion.MZ_ratio _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.MZ_ratio' _Item.ID 6621 _Item.Name '_MZ_product_ion.MZ_ratio' _Item.Description ; A reported mass to charge ratio value. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__MZ_product_ion.MZ_ratio_err _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.MZ_ratio_err' _Item.ID 6622 _Item.Name '_MZ_product_ion.MZ_ratio_err' _Item.Description ; The error in the reported mass to charge ratio value. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_product_ion.Intensity _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.Intensity' _Item.ID 6623 _Item.Name '_MZ_product_ion.Intensity' _Item.Description ; The intensity of the mass to charge ratio signal. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_product_ion.Relative_intensity _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.Relative_intensity' _Item.ID 6624 _Item.Name '_MZ_product_ion.Relative_intensity' _Item.Description ; The relative intensity of the mass to charge ratio value. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_product_ion.S_N_ratio _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.S_N_ratio' _Item.ID 6625 _Item.Name '_MZ_product_ion.S_N_ratio' _Item.Description ; The signal to noise ratio of the mass to charge signal. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_product_ion.Full_width_half_maximum _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.Full_width_half_maximum' _Item.ID 6626 _Item.Name '_MZ_product_ion.Full_width_half_maximum' _Item.Description ; The full width of the mass to charge signal at half maximum intensity. ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MZ_product_ion.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.Sf_ID' _Item.ID 6627 _Item.Name '_MZ_product_ion.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_product_ion.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.Entry_ID' _Item.ID 6628 _Item.Name '_MZ_product_ion.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_product_ion.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion.MZ_ratio_data_list_ID' _Item.ID 6629 _Item.Name '_MZ_product_ion.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 449 _Item.Category_label $MZ_product_ion _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MZ_product_ion_annotation _Category.Sf_category category_description _Category.Sf_framecode MZ_product_ion_annotation _Category.ID 450 _Category.Name 'MZ_product_ion_annotation' _category.Description ; Items in the MZ_product_ion_annotation category provide comments and other annotations for product ions observed in a mass spec experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 106 _Category.Category_group_name MS_MZ_data _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6630 $_MZ_product_ion_annotation.ID '_MZ_product_ion_annotation.ID' 6631 $_MZ_product_ion_annotation.MZ_product_ion_ID '_MZ_product_ion_annotation.MZ_product_ion_ID' 6637 $_MZ_product_ion_annotation.Entry_ID '_MZ_product_ion_annotation.Entry_ID' 6638 $_MZ_product_ion_annotation.MZ_ratio_data_list_ID '_MZ_product_ion_annotation.MZ_ratio_data_list_ID' 450 NMR-STAR stop_ save_ save__MZ_product_ion_annotation.ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.ID' _Item.ID 6630 _Item.Name '_MZ_product_ion_annotation.ID' _Item.Description ; Unique identifier for the reported MZ ratio annotation. ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_product_ion_annotation.MZ_product_ion_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.MZ_product_ion_ID' _Item.ID 6631 _Item.Name '_MZ_product_ion_annotation.MZ_product_ion_ID' _Item.Description ; Pointer to '_MZ_product_ion.ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_product_ion_annotation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.Entity_ID' _Item.ID 6632 _Item.Name '_MZ_product_ion_annotation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_product_ion_annotation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.Comp_index_ID' _Item.ID 6633 _Item.Name '_MZ_product_ion_annotation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MZ_product_ion_annotation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.Comp_ID' _Item.ID 6634 _Item.Name '_MZ_product_ion_annotation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MZ_product_ion_annotation.Chemical_composition _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.Chemical_composition' _Item.ID 6635 _Item.Name '_MZ_product_ion_annotation.Chemical_composition' _Item.Description ; Chemical composition of the chemical fragment assigned to the MZ ratio. ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MZ_product_ion_annotation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.Sf_ID' _Item.ID 6636 _Item.Name '_MZ_product_ion_annotation.Sf_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.Sf_ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MZ_product_ion_annotation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.Entry_ID' _Item.ID 6637 _Item.Name '_MZ_product_ion_annotation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MZ_product_ion_annotation.MZ_ratio_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MZ_product_ion_annotation.MZ_ratio_data_list_ID' _Item.ID 6638 _Item.Name '_MZ_product_ion_annotation.MZ_ratio_data_list_ID' _Item.Description ; Pointer to '_MZ_ratio_data_list.ID' ; _Item.Category_ID 450 _Item.Category_label $MZ_product_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_chromatogram_list _Category.Sf_category category_description _Category.Sf_framecode MS_chromatogram_list _Category.ID 451 _Category.Name 'MS_chromatogram_list' _category.Description ; Items in the MS_chromatogram_list category provide meta data about a chromatographic experiment carried out to separate compounds for mass spectral analysis. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 107 _Category.Category_group_name MS_chromatogram _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6641 $_MS_chromatogram_list.Entry_ID '_MS_chromatogram_list.Entry_ID' 6643 $_MS_chromatogram_list.ID '_MS_chromatogram_list.ID' 451 NMR-STAR stop_ save_ save__MS_chromatogram_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Sf_category' _Item.ID 6639 _Item.Name '_MS_chromatogram_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chromatogram_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Sf_framecode' _Item.ID 6640 _Item.Name '_MS_chromatogram_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MS_chromatogram_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Entry_ID' _Item.ID 6641 _Item.Name '_MS_chromatogram_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chromatogram_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Sf_ID' _Item.ID 6642 _Item.Name '_MS_chromatogram_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MS_chromatogram_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.ID' _Item.ID 6643 _Item.Name '_MS_chromatogram_list.ID' _Item.Description ; Unique identifier for the list of reported mass spectral MZ values from a MS chromatogram. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MS_chromatogram_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Name' _Item.ID 6644 _Item.Name '_MS_chromatogram_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MS_chromatogram_list.Sample_condition_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Sample_condition_list_ID' _Item.ID 6645 _Item.Name '_MS_chromatogram_list.Sample_condition_list_ID' _Item.Description ; Pointer to '_Sample_condition_list.ID' ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_list.Sample_condition_list_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Sample_condition_list_label' _Item.ID 6646 _Item.Name '_MS_chromatogram_list.Sample_condition_list_label' _Item.Description ; The label for the set of experimental sample conditions used to collect the data for determination of the MZ ratio values. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MS_chromatogram_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Details' _Item.ID 6647 _Item.Name '_MS_chromatogram_list.Details' _Item.Description ; Text describing the reported MZ ratio values. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save__MS_chromatogram_list.Text_data_format _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Text_data_format' _Item.ID 6648 _Item.Name '_MS_chromatogram_list.Text_data_format' _Item.Description ; The data format used to represent the MZ ratio data as ASCII text in the text block that is the value to the '_MS_chromatogram_list.Text_data' tag. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code no _Item.Type_code 'code' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_MS_chromatogram_list.Text_data_format' mzML ? 6648 451 NMR-STAR '_MS_chromatogram_list.Text_data_format' mzDAta ? 6648 451 NMR-STAR stop_ save_ save__MS_chromatogram_list.Text_data _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_list.Text_data' _Item.ID 6649 _Item.Name '_MS_chromatogram_list.Text_data' _Item.Description ; A set of MZ ratio data formatted as ASCII text. ; _Item.Category_ID 451 _Item.Category_label $MS_chromatogram_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_MS_chromatogram_experiment _Category.Sf_category category_description _Category.Sf_framecode MS_chromatogram_experiment _Category.ID 452 _Category.Name 'MS_chromatogram_experiment' _category.Description ; Items in the MS_chromatogram_experiment category provide pointers to the experimental details and samples used in the chromatographic separation. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 107 _Category.Category_group_name MS_chromatogram _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6650 $_MS_chromatogram_experiment.Experiment_ID '_MS_chromatogram_experiment.Experiment_ID' 6655 $_MS_chromatogram_experiment.Entry_ID '_MS_chromatogram_experiment.Entry_ID' 6656 $_MS_chromatogram_experiment.MS_chromatogram_list_ID '_MS_chromatogram_experiment.MS_chromatogram_list_ID' 452 NMR-STAR stop_ save_ save__MS_chromatogram_experiment.Experiment_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.Experiment_ID' _Item.ID 6650 _Item.Name '_MS_chromatogram_experiment.Experiment_ID' _Item.Description ; Pointer to '_Experiment.ID' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_experiment.Experiment_name _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.Experiment_name' _Item.ID 6651 _Item.Name '_MS_chromatogram_experiment.Experiment_name' _Item.Description ; Pointer to '_Experiment.Name' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__MS_chromatogram_experiment.Sample_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.Sample_ID' _Item.ID 6652 _Item.Name '_MS_chromatogram_experiment.Sample_ID' _Item.Description ; Pointer to '_Sample.ID' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MS_chromatogram_experiment.Sample_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.Sample_label' _Item.ID 6653 _Item.Name '_MS_chromatogram_experiment.Sample_label' _Item.Description ; Pointer to a save frame of the category 'sample' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MS_chromatogram_experiment.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.Sf_ID' _Item.ID 6654 _Item.Name '_MS_chromatogram_experiment.Sf_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.Sf_ID' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_experiment.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.Entry_ID' _Item.ID 6655 _Item.Name '_MS_chromatogram_experiment.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chromatogram_experiment.MS_chromatogram_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_experiment.MS_chromatogram_list_ID' _Item.ID 6656 _Item.Name '_MS_chromatogram_experiment.MS_chromatogram_list_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.ID' ; _Item.Category_ID 452 _Item.Category_label $MS_chromatogram_experiment _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_chromatogram_software _Category.Sf_category category_description _Category.Sf_framecode MS_chromatogram_software _Category.ID 453 _Category.Name 'MS_chromatogram_software' _category.Description ; Items in the MS_chromatogram_software category provide pointers to the software and methods used to carry out a chromatographic separation experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 107 _Category.Category_group_name MS_chromatogram _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6657 $_MS_chromatogram_software.Software_ID '_MS_chromatogram_software.Software_ID' 6662 $_MS_chromatogram_software.Entry_ID '_MS_chromatogram_software.Entry_ID' 6663 $_MS_chromatogram_software.MS_chromatogram_list_ID '_MS_chromatogram_software.MS_chromatogram_list_ID' 453 NMR-STAR stop_ save_ save__MS_chromatogram_software.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.Software_ID' _Item.ID 6657 _Item.Name '_MS_chromatogram_software.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_software.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.Software_label' _Item.ID 6658 _Item.Name '_MS_chromatogram_software.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__MS_chromatogram_software.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.Method_ID' _Item.ID 6659 _Item.Name '_MS_chromatogram_software.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MS_chromatogram_software.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.Method_label' _Item.ID 6660 _Item.Name '_MS_chromatogram_software.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__MS_chromatogram_software.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.Sf_ID' _Item.ID 6661 _Item.Name '_MS_chromatogram_software.Sf_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.Sf_ID' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_software.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.Entry_ID' _Item.ID 6662 _Item.Name '_MS_chromatogram_software.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chromatogram_software.MS_chromatogram_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_software.MS_chromatogram_list_ID' _Item.ID 6663 _Item.Name '_MS_chromatogram_software.MS_chromatogram_list_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.ID' ; _Item.Category_ID 453 _Item.Category_label $MS_chromatogram_software _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_chromatogram_param _Category.Sf_category category_description _Category.Sf_framecode MS_chromatogram_param _Category.ID 454 _Category.Name 'MS_chromatogram_param' _category.Description ; Items in the MS_chromatogram_param category provide the parameters and their values used to carry out a chromatographic separation experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 107 _Category.Category_group_name MS_chromatogram _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6664 $_MS_chromatogram_param.ID '_MS_chromatogram_param.ID' 6669 $_MS_chromatogram_param.Entry_ID '_MS_chromatogram_param.Entry_ID' 6670 $_MS_chromatogram_param.MS_chromatogram_list_ID '_MS_chromatogram_param.MS_chromatogram_list_ID' 454 NMR-STAR stop_ save_ save__MS_chromatogram_param.ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.ID' _Item.ID 6664 _Item.Name '_MS_chromatogram_param.ID' _Item.Description ; Unique identifier for the reported parameter value. ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_param.Name _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.Name' _Item.ID 6665 _Item.Name '_MS_chromatogram_param.Name' _Item.Description ; The name given the parameter ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__MS_chromatogram_param.Value _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.Value' _Item.ID 6666 _Item.Name '_MS_chromatogram_param.Value' _Item.Description ; The value given for the parameter. ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code yes _Item.Type_code 'line' save_ save__MS_chromatogram_param.Units _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.Units' _Item.ID 6667 _Item.Name '_MS_chromatogram_param.Units' _Item.Description ; The units used for the value of the parameter. ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MS_chromatogram_param.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.Sf_ID' _Item.ID 6668 _Item.Name '_MS_chromatogram_param.Sf_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.Sf_ID' ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_param.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.Entry_ID' _Item.ID 6669 _Item.Name '_MS_chromatogram_param.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chromatogram_param.MS_chromatogram_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_param.MS_chromatogram_list_ID' _Item.ID 6670 _Item.Name '_MS_chromatogram_param.MS_chromatogram_list_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.ID' ; _Item.Category_ID 454 _Item.Category_label $MS_chromatogram_param _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_chromatogram_ion _Category.Sf_category category_description _Category.Sf_framecode MS_chromatogram_ion _Category.ID 455 _Category.Name 'MS_chromatogram_ion' _category.Description ; Items in the MS_chromatogram_ion category desribe the ions generated by the chromatographic experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 107 _Category.Category_group_name MS_chromatogram _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6671 $_MS_chromatogram_ion.ID '_MS_chromatogram_ion.ID' 6679 $_MS_chromatogram_ion.Entry_ID '_MS_chromatogram_ion.Entry_ID' 6680 $_MS_chromatogram_ion.MS_chromatogram_list_ID '_MS_chromatogram_ion.MS_chromatogram_list_ID' 455 NMR-STAR stop_ save_ save__MS_chromatogram_ion.ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.ID' _Item.ID 6671 _Item.Name '_MS_chromatogram_ion.ID' _Item.Description ; Unique identifier for the observed MZ ratio value. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__MS_chromatogram_ion.MZ_ratio _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.MZ_ratio' _Item.ID 6672 _Item.Name '_MS_chromatogram_ion.MZ_ratio' _Item.Description ; A reported mass to charge ratio value. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__MS_chromatogram_ion.MZ_ratio_err _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.MZ_ratio_err' _Item.ID 6673 _Item.Name '_MS_chromatogram_ion.MZ_ratio_err' _Item.Description ; The error in the reported mass to charge ratio value. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MS_chromatogram_ion.MZ_Intensity _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.MZ_Intensity' _Item.ID 6674 _Item.Name '_MS_chromatogram_ion.MZ_Intensity' _Item.Description ; The intensity of the mass to charge ratio signal. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code yes _Item.Type_code 'float' save_ save__MS_chromatogram_ion.MZ_relative_intensity _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.MZ_relative_intensity' _Item.ID 6675 _Item.Name '_MS_chromatogram_ion.MZ_relative_intensity' _Item.Description ; The relative intensity of the mass to charge ratio value. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MS_chromatogram_ion.S_N_ratio _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.S_N_ratio' _Item.ID 6676 _Item.Name '_MS_chromatogram_ion.S_N_ratio' _Item.Description ; The signal to noise ratio of the mass to charge signal. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MS_chromatogram_ion.Full_width_half_maximum _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.Full_width_half_maximum' _Item.ID 6677 _Item.Name '_MS_chromatogram_ion.Full_width_half_maximum' _Item.Description ; The full width of the mass to charge signal at half maximum intensity. ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code no _Item.Type_code 'float' save_ save__MS_chromatogram_ion.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.Sf_ID' _Item.ID 6678 _Item.Name '_MS_chromatogram_ion.Sf_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.Sf_ID' ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chromatogram_ion.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.Entry_ID' _Item.ID 6679 _Item.Name '_MS_chromatogram_ion.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chromatogram_ion.MS_chromatogram_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chromatogram_ion.MS_chromatogram_list_ID' _Item.ID 6680 _Item.Name '_MS_chromatogram_ion.MS_chromatogram_list_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.ID' ; _Item.Category_ID 455 _Item.Category_label $MS_chromatogram_ion _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_MS_chrom_ion_annotation _Category.Sf_category category_description _Category.Sf_framecode MS_chrom_ion_annotation _Category.ID 456 _Category.Name 'MS_chrom_ion_annotation' _category.Description ; Items in the MS_chrom_ion_annotation category provide comments and other annotations regarding ions generated by the chromatographic experiment. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 107 _Category.Category_group_name MS_chromatogram _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6681 $_MS_chrom_ion_annotation.ID '_MS_chrom_ion_annotation.ID' 6688 $_MS_chrom_ion_annotation.Entry_ID '_MS_chrom_ion_annotation.Entry_ID' 6689 $_MS_chrom_ion_annotation.MS_chromatogram_list_ID '_MS_chrom_ion_annotation.MS_chromatogram_list_ID' 456 NMR-STAR stop_ save_ save__MS_chrom_ion_annotation.ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.ID' _Item.ID 6681 _Item.Name '_MS_chrom_ion_annotation.ID' _Item.Description ; Unique identifier for the reported chromatogram annotation. ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chrom_ion_annotation.MS_chromatogram_ion_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.MS_chromatogram_ion_ID' _Item.ID 6682 _Item.Name '_MS_chrom_ion_annotation.MS_chromatogram_ion_ID' _Item.Description ; Pointer to '_MS_chromatogram_ion.ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chrom_ion_annotation.Entity_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.Entity_ID' _Item.ID 6683 _Item.Name '_MS_chrom_ion_annotation.Entity_ID' _Item.Description ; Pointer to '_Entity.ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MS_chrom_ion_annotation.Comp_index_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.Comp_index_ID' _Item.ID 6684 _Item.Name '_MS_chrom_ion_annotation.Comp_index_ID' _Item.Description ; Pointer to '_Entity_comp_index.ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code no _Item.Type_code 'int' save_ save__MS_chrom_ion_annotation.Comp_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.Comp_ID' _Item.ID 6685 _Item.Name '_MS_chrom_ion_annotation.Comp_ID' _Item.Description ; Pointer to '_Chem_comp.ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code no _Item.Type_code 'code' save_ save__MS_chrom_ion_annotation.Chemical_composition _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.Chemical_composition' _Item.ID 6686 _Item.Name '_MS_chrom_ion_annotation.Chemical_composition' _Item.Description ; Chemical composition of the chemical fragment assigned to the MZ ratio. ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code no _Item.Type_code 'line' save_ save__MS_chrom_ion_annotation.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.Sf_ID' _Item.ID 6687 _Item.Name '_MS_chrom_ion_annotation.Sf_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.Sf_ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__MS_chrom_ion_annotation.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.Entry_ID' _Item.ID 6688 _Item.Name '_MS_chrom_ion_annotation.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__MS_chrom_ion_annotation.MS_chromatogram_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_MS_chrom_ion_annotation.MS_chromatogram_list_ID' _Item.ID 6689 _Item.Name '_MS_chrom_ion_annotation.MS_chromatogram_list_ID' _Item.Description ; Pointer to '_MS_chromatogram_list.ID' ; _Item.Category_ID 456 _Item.Category_label $MS_chrom_ion_annotation _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Experimental_data_link_list _Category.Sf_category category_description _Category.Sf_framecode Experimental_data_link_list _Category.ID 457 _Category.Name 'Experimental_data_link_list' _category.Description ; Items in the Experimental_data_link_list category provide meta data specific to the linked data in the save frame. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 108 _Category.Category_group_name experimental_data_derivation_links _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6692 $_Experimental_data_link_list.Entry_ID '_Experimental_data_link_list.Entry_ID' 6694 $_Experimental_data_link_list.ID '_Experimental_data_link_list.ID' 457 NMR-STAR stop_ save_ save__Experimental_data_link_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.Sf_category' _Item.ID 6690 _Item.Name '_Experimental_data_link_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experimental_data_link_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.Sf_framecode' _Item.ID 6691 _Item.Name '_Experimental_data_link_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Experimental_data_link_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.Entry_ID' _Item.ID 6692 _Item.Name '_Experimental_data_link_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experimental_data_link_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.Sf_ID' _Item.ID 6693 _Item.Name '_Experimental_data_link_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Experimental_data_link_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.ID' _Item.ID 6694 _Item.Name '_Experimental_data_link_list.ID' _Item.Description ; Unique identifier for the reported list of linked spectral peaks and constraints. ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Experimental_data_link_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.Name' _Item.ID 6695 _Item.Name '_Experimental_data_link_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experimental_data_link_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link_list.Details' _Item.ID 6696 _Item.Name '_Experimental_data_link_list.Details' _Item.Description ; The 'details' item is used to provide additional information about the data reported in the save frame. ; _Item.Category_ID 457 _Item.Category_label $Experimental_data_link_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Experimental_data_link _Category.Sf_category category_description _Category.Sf_framecode Experimental_data_link _Category.ID 458 _Category.Name 'Experimental_data_link' _category.Description ; Items in the Experimental_data_link category provide the pointers to both the source data and the data derived from the source data. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 108 _Category.Category_group_name experimental_data_derivation_links _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6697 $_Experimental_data_link.ID '_Experimental_data_link.ID' 6711 $_Experimental_data_link.Entry_ID '_Experimental_data_link.Entry_ID' 6712 $_Experimental_data_link.Experimental_data_link_list_ID '_Experimental_data_link.Experimental_data_link_list_ID' 458 NMR-STAR stop_ save_ save__Experimental_data_link.ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.ID' _Item.ID 6697 _Item.Name '_Experimental_data_link.ID' _Item.Description ; Unique identifier for the linked spectral peak and constraint. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experimental_data_link.Source_expt_data_list_Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Source_expt_data_list_Sf_framecode' _Item.ID 6698 _Item.Name '_Experimental_data_link.Source_expt_data_list_Sf_framecode' _Item.Description ; A pointer to the Sf_framecode for the save frame where the spectral peak list is found. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Experimental_data_link.Source_expt_data_list_Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Source_expt_data_list_Sf_category' _Item.ID 6699 _Item.Name '_Experimental_data_link.Source_expt_data_list_Sf_category' _Item.Description ; The category for the spectral peak list. This value is the same for all spectral peak list save frames. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experimental_data_link.Source_expt_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Source_expt_data_list_ID' _Item.ID 6700 _Item.Name '_Experimental_data_link.Source_expt_data_list_ID' _Item.Description ; A pointer to the unique ID for the save frame of category 'spectral_peak_list'. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experimental_data_link.Source_expt_data_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Source_expt_data_list_label' _Item.ID 6701 _Item.Name '_Experimental_data_link.Source_expt_data_list_label' _Item.Description ; A label for the save frame for the experimental data that is being linked to the derived structural constraint. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experimental_data_link.Source_expt_data_item_category _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Source_expt_data_item_category' _Item.ID 6702 _Item.Name '_Experimental_data_link.Source_expt_data_item_category' _Item.Description ; The item or tag category (table name) where the linked experimental data item is located. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experimental_data_link.Source_expt_data_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Source_expt_data_ID' _Item.ID 6703 _Item.Name '_Experimental_data_link.Source_expt_data_ID' _Item.Description ; A pointer to the tag '_Peak.ID' in the specified spectral peak list save frame. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experimental_data_link.Derived_data_Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Derived_data_Sf_framecode' _Item.ID 6704 _Item.Name '_Experimental_data_link.Derived_data_Sf_framecode' _Item.Description ; A pointer to the Sf_framecode for the save frame where the linked constraint is found. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Experimental_data_link.Derived_data_Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Derived_data_Sf_category' _Item.ID 6705 _Item.Name '_Experimental_data_link.Derived_data_Sf_category' _Item.Description ; The category for the constraint save frame where the linked constraint is found. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experimental_data_link.Derived_data_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Derived_data_list_ID' _Item.ID 6706 _Item.Name '_Experimental_data_link.Derived_data_list_ID' _Item.Description ; A pointer to the unique ID for the save frame of the category for the linked constraint. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experimental_data_link.Derived_data_list_label _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Derived_data_list_label' _Item.ID 6707 _Item.Name '_Experimental_data_link.Derived_data_list_label' _Item.Description ; A label for the save frame where the constraint linked to the experimental data is located. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Experimental_data_link.Derived_data_item_category _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Derived_data_item_category' _Item.ID 6708 _Item.Name '_Experimental_data_link.Derived_data_item_category' _Item.Description ; The item or tag category (table name) where the linked constraint data item is located. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Experimental_data_link.Derived_data_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Derived_data_ID' _Item.ID 6709 _Item.Name '_Experimental_data_link.Derived_data_ID' _Item.Description ; A pointer to the tag that is the unique ID for the linked constraint. ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experimental_data_link.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Sf_ID' _Item.ID 6710 _Item.Name '_Experimental_data_link.Sf_ID' _Item.Description ; Pointer to '_Experimental_data_link_list.Sf_ID' ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Experimental_data_link.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Entry_ID' _Item.ID 6711 _Item.Name '_Experimental_data_link.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Experimental_data_link.Experimental_data_link_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Experimental_data_link.Experimental_data_link_list_ID' _Item.ID 6712 _Item.Name '_Experimental_data_link.Experimental_data_link_list_ID' _Item.Description ; Pointer to '_Experimental_data_link_list.ID' ; _Item.Category_ID 458 _Item.Category_label $Experimental_data_link _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Software_specific_info_list _Category.Sf_category category_description _Category.Sf_framecode Software_specific_info_list _Category.ID 459 _Category.Name 'Software_specific_info_list' _category.Description ; Items in the software_specific_info_list category provide meta data specific to software used to generate data in the entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 109 _Category.Category_group_name software_specific_saveframes _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6715 $_Software_specific_info_list.Entry_ID '_Software_specific_info_list.Entry_ID' 6717 $_Software_specific_info_list.ID '_Software_specific_info_list.ID' 459 NMR-STAR stop_ save_ save__Software_specific_info_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info_list.Sf_category' _Item.ID 6713 _Item.Name '_Software_specific_info_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 459 _Item.Category_label $Software_specific_info_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_specific_info_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info_list.Sf_framecode' _Item.ID 6714 _Item.Name '_Software_specific_info_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 459 _Item.Category_label $Software_specific_info_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Software_specific_info_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info_list.Entry_ID' _Item.ID 6715 _Item.Name '_Software_specific_info_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 459 _Item.Category_label $Software_specific_info_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_specific_info_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info_list.Sf_ID' _Item.ID 6716 _Item.Name '_Software_specific_info_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 459 _Item.Category_label $Software_specific_info_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software_specific_info_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info_list.ID' _Item.ID 6717 _Item.Name '_Software_specific_info_list.ID' _Item.Description ; Unique identifier for the list of reported imported software specific save frames. ; _Item.Category_ID 459 _Item.Category_label $Software_specific_info_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software_specific_info_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info_list.Name' _Item.ID 6718 _Item.Name '_Software_specific_info_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 459 _Item.Category_label $Software_specific_info_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save_Software_specific_info _Category.Sf_category category_description _Category.Sf_framecode Software_specific_info _Category.ID 460 _Category.Name 'Software_specific_info' _category.Description ; Items in the software_specific_info category provide pointers to the software descriptions for software used to generate data in the entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 109 _Category.Category_group_name software_specific_saveframes _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6719 $_Software_specific_info.Software_saveframe_ID '_Software_specific_info.Software_saveframe_ID' 6722 $_Software_specific_info.Entry_ID '_Software_specific_info.Entry_ID' 6723 $_Software_specific_info.Software_specific_info_list_ID '_Software_specific_info.Software_specific_info_list_ID' 460 NMR-STAR stop_ save_ save__Software_specific_info.Software_saveframe_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info.Software_saveframe_ID' _Item.ID 6719 _Item.Name '_Software_specific_info.Software_saveframe_ID' _Item.Description ; Identifier for each save frame captured in the loop structure. ; _Item.Category_ID 460 _Item.Category_label $Software_specific_info _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Software_specific_info.Software_saveframe _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info.Software_saveframe' _Item.ID 6720 _Item.Name '_Software_specific_info.Software_saveframe' _Item.Description ; A save frame from a software generated file that contains software specific information captured as a block of text. ; _Item.Category_ID 460 _Item.Category_label $Software_specific_info _Item.Mandatory_code yes _Item.Type_code 'text' save_ save__Software_specific_info.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info.Sf_ID' _Item.ID 6721 _Item.Name '_Software_specific_info.Sf_ID' _Item.Description ; Pointer to '_Software_specific_info_list.Sf_ID' ; _Item.Category_ID 460 _Item.Category_label $Software_specific_info _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Software_specific_info.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info.Entry_ID' _Item.ID 6722 _Item.Name '_Software_specific_info.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 460 _Item.Category_label $Software_specific_info _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_specific_info.Software_specific_info_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_specific_info.Software_specific_info_list_ID' _Item.ID 6723 _Item.Name '_Software_specific_info.Software_specific_info_list_ID' _Item.Description ; Pointer to '_Software_specific_info_list.ID' ; _Item.Category_ID 460 _Item.Category_label $Software_specific_info _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Software_applied_list _Category.Sf_category category_description _Category.Sf_framecode Software_applied_list _Category.ID 461 _Category.Name 'Software_applied_list' _category.Description ; Items in the software_applied_list category provide meta data regarding a list of software used to generate data in the entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 110 _Category.Category_group_name applied_software _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6726 $_Software_applied_list.Entry_ID '_Software_applied_list.Entry_ID' 6728 $_Software_applied_list.ID '_Software_applied_list.ID' 461 NMR-STAR stop_ save_ save__Software_applied_list.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.Sf_category' _Item.ID 6724 _Item.Name '_Software_applied_list.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_applied_list.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.Sf_framecode' _Item.ID 6725 _Item.Name '_Software_applied_list.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Software_applied_list.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.Entry_ID' _Item.ID 6726 _Item.Name '_Software_applied_list.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_applied_list.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.Sf_ID' _Item.ID 6727 _Item.Name '_Software_applied_list.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software_applied_list.ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.ID' _Item.ID 6728 _Item.Name '_Software_applied_list.ID' _Item.Description ; Unique identifier for the save frame containing the software list used to derive data. ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software_applied_list.Name _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.Name' _Item.ID 6729 _Item.Name '_Software_applied_list.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Software_applied_list.Details _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_list.Details' _Item.ID 6730 _Item.Name '_Software_applied_list.Details' _Item.Description ; A block of text that contains details regarding the applied software. ; _Item.Category_ID 461 _Item.Category_label $Software_applied_list _Item.Mandatory_code no _Item.Type_code 'text' save_ save_Software_applied_methods _Category.Sf_category category_description _Category.Sf_framecode Software_applied_methods _Category.ID 462 _Category.Name 'Software_applied_methods' _category.Description ; Items in the software_applied_methods category provide links to the methods used in running a software package and/or scripts used to drive software. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 110 _Category.Category_group_name applied_software _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6731 $_Software_applied_methods.Software_ID '_Software_applied_methods.Software_ID' 6740 $_Software_applied_methods.Entry_ID '_Software_applied_methods.Entry_ID' 6741 $_Software_applied_methods.Software_applied_list_ID '_Software_applied_methods.Software_applied_list_ID' 462 NMR-STAR stop_ save_ save__Software_applied_methods.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Software_ID' _Item.ID 6731 _Item.Name '_Software_applied_methods.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Software_applied_methods.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Software_label' _Item.ID 6732 _Item.Name '_Software_applied_methods.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Software_applied_methods.Methods_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Methods_ID' _Item.ID 6733 _Item.Name '_Software_applied_methods.Methods_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code no _Item.Type_code 'int' save_ save__Software_applied_methods.Methods_label _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Methods_label' _Item.ID 6734 _Item.Name '_Software_applied_methods.Methods_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__Software_applied_methods.Software_name _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Software_name' _Item.ID 6735 _Item.Name '_Software_applied_methods.Software_name' _Item.Description ; The name of a software application. ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_Software_applied_methods.Software_name' 3DNA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 4D-CHAINS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ABACUS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ADAPT-NMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AMBER ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ANALYSIS 'CcpNMR Analysis' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AngleSearch ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ANSIG ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AQUA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ARIA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ARIA2 ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ATHNOS-CANDID ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AURELIA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AS-DP ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ATNOS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ATSAS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AUREMOL ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AutoAssign ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AutoDep ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AutoStruct ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AVS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' AZARA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' BATMAN 'small molecule' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' calRW ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CANDID ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CARA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CATIA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CcpNMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CH3Shift ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Chimera ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CING ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'CLUSTAL W/X' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CNS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CNSSOLVE ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CoMD/NMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' COMPASS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CONNJURST ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CONNJURWB ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CORMA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'CPMG-Fit (Korzhnev)' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'CPMGFit (Palmer)' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CSI ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CS-Rosetta ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CURVES ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' CYANA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' DANGLE ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' DIAMOD ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' DISCOVER ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' DYANA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' DYNAMO ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' FASTModelFree ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' FMCGUI ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' FuDA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' GARANT ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Gaussian ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' GIFA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' GISSMO 'small molecule' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' GROMACS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' GROMOS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' GUARDD ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' HADDOCK ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' HYPER ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' istHMS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' j-UNIO ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MAGRO ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MARDIGRAS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MARS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MD2NOE ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Mathematica ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MATLAB ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MDAnalysis ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MddNMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MestReNova ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MetaboAnalystR 'small molecule' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MetScape 'small molecule' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ModelFree ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Molmol ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MolProbity ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MORASS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MoSART ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' MVAPACK 'small molecule' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NAMD ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NESSY ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRbox ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRDraw ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRest ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRFAM-SPARKY ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRFx ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'NMRFx Analyst' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'NMRFx Processor' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'NMRFx Structure' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' nmrglue ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRPipe ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRspy ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRView ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NMRViewJ ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' NOAH ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' nus-tool ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Olivia ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' OPAL ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' OPALp ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Origin ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PALES ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PDBStat ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PECAN ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PINE ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PIPP ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PISTACHIO ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PONDEROSA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Procheck ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ProcheckNMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PRONTO ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PROSA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PSVS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' PyMOL ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' qMDD ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' QUEEN ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' REDCAT ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' REDCRAFT ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Relax ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' RNAstructure ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' rNMR 'small molecule' 6735 462 NMR-STAR '_Software_applied_methods.Software_name' RNMRTK ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Rosetta ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SANE ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SCRUB ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SHIFTS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ShiftX ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' ShiftX2 ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SMILE ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SPARKY ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SPARTA ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SPARTA+ ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SPSCAN ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' SYBYL ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' TALOS ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' TALOS+ ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' TALOS-N ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' TANSY ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' Tensor ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' TINKER ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' TOPSPIN ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' UNIO ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' UNIO-MATCH ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' UXNMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' VMD ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' VMD-Xplor ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' VNMR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' VNMRj ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' WhatIF ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' XEASY ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' X-PLOR ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' 'X-PLOR NIH' ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' xwinnmr ? 6735 462 NMR-STAR '_Software_applied_methods.Software_name' YASARA ? 6735 462 NMR-STAR stop_ save_ save__Software_applied_methods.Script_name _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Script_name' _Item.ID 6736 _Item.Name '_Software_applied_methods.Script_name' _Item.Description ; The name of a software script used with a software application. ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Software_applied_methods.Script _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Script' _Item.ID 6737 _Item.Name '_Software_applied_methods.Script' _Item.Description ; The script used with a software application. ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Software_applied_methods.Software_specific_info _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Software_specific_info' _Item.ID 6738 _Item.Name '_Software_applied_methods.Software_specific_info' _Item.Description ; A block of text that contains software specific information. ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code no _Item.Type_code 'text' save_ save__Software_applied_methods.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Sf_ID' _Item.ID 6739 _Item.Name '_Software_applied_methods.Sf_ID' _Item.Description ; Pointer to '_Software_applied_list.Sf_ID' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__Software_applied_methods.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Entry_ID' _Item.ID 6740 _Item.Name '_Software_applied_methods.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_applied_methods.Software_applied_list_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_methods.Software_applied_list_ID' _Item.ID 6741 _Item.Name '_Software_applied_methods.Software_applied_list_ID' _Item.Description ; Pointer to '_Software_applied_list.ID' ; _Item.Category_ID 462 _Item.Category_label $Software_applied_methods _Item.Mandatory_code yes _Item.Type_code 'int' save_ save_Software_applied_history _Category.Sf_category category_description _Category.Sf_framecode Software_applied_history _Category.ID 463 _Category.Name 'Software_applied_history' _category.Description ; Items in the software_applied_history category provide meta data about a software workflow used to derive data reported in the entry. ; _Category.Mandatory_code yes _Category.Loop_code no _Category.Category_group_ID 111 _Category.Category_group_name applied_software_history _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6744 $_Software_applied_history.Entry_ID '_Software_applied_history.Entry_ID' 6746 $_Software_applied_history.ID '_Software_applied_history.ID' 463 NMR-STAR stop_ save_ save__Software_applied_history.Sf_category _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.Sf_category' _Item.ID 6742 _Item.Name '_Software_applied_history.Sf_category' _Item.Description ; Category definition for the information content of the save frame ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_applied_history.Sf_framecode _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.Sf_framecode' _Item.ID 6743 _Item.Name '_Software_applied_history.Sf_framecode' _Item.Description ; A label for the save frame that describes in very brief terms the information contained in the save frame. ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__Software_applied_history.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.Entry_ID' _Item.ID 6744 _Item.Name '_Software_applied_history.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__Software_applied_history.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.Sf_ID' _Item.ID 6745 _Item.Name '_Software_applied_history.Sf_ID' _Item.Description ; An interger value that is the unique identifier for the save frame that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system. ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software_applied_history.ID _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.ID' _Item.ID 6746 _Item.Name '_Software_applied_history.ID' _Item.Description ; Unique identifier for the save frame containing the software history list used to derive data. ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code yes _Item.Type_code 'int' loop_ _Item_linked.Item_name _Item_linked.Child_item_ID _Item_linked.Child_item_label _Item_linked.Child_item_name _Item_linked.Child_item_category_ID _Item_linked.Child_item_category_label _Item_linked.Item_ID _Item_linked.Category_ID _Item_linked.Dictionary_ID ? ? ? ? ? ? ? ? ? stop_ save_ save__Software_applied_history.Name _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.Name' _Item.ID 6747 _Item.Name '_Software_applied_history.Name' _Item.Description ; A name assigned to the save frame. ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code no _Item.Type_code 'line' save_ save__Software_applied_history.Details _Item.Sf_category item_description _Item.Sf_framecode '_Software_applied_history.Details' _Item.ID 6748 _Item.Name '_Software_applied_history.Details' _Item.Description ; A block of text that contains details regarding the applied software history. ; _Item.Category_ID 463 _Item.Category_label $Software_applied_history _Item.Mandatory_code no _Item.Type_code 'text' save_ save_History _Category.Sf_category category_description _Category.Sf_framecode History _Category.ID 464 _Category.Name 'History' _category.Description ; Items in the history category provide the order in which software packages were used to derive the data reported in the entry. ; _Category.Mandatory_code yes _Category.Loop_code yes _Category.Category_group_ID 111 _Category.Category_group_name applied_software_history _Category.Dictionary_ID NMR-STAR loop_ _Category_primary_key.Item_ID _Category_primary_key.Item_label _Category_primary_key.Item_name _Category_primary_key.Category_ID _Category_primary_key.Dictionary_ID 6749 $_History.Run_number '_History.Run_number' 6750 $_History.Software_ID '_History.Software_ID' 6759 $_History.Entry_ID '_History.Entry_ID' 6760 $_History.Software_applied_history_ID '_History.Software_applied_history_ID' 464 NMR-STAR stop_ save_ save__History.Run_number _Item.Sf_category item_description _Item.Sf_framecode '_History.Run_number' _Item.ID 6749 _Item.Name '_History.Run_number' _Item.Description ; The position of the software in the history chain. ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__History.Software_ID _Item.Sf_category item_description _Item.Sf_framecode '_History.Software_ID' _Item.ID 6750 _Item.Name '_History.Software_ID' _Item.Description ; Pointer to '_Software.ID' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__History.Software_label _Item.Sf_category item_description _Item.Sf_framecode '_History.Software_label' _Item.ID 6751 _Item.Name '_History.Software_label' _Item.Description ; Pointer to a save frame of the category 'software' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'framecode' save_ save__History.Method_ID _Item.Sf_category item_description _Item.Sf_framecode '_History.Method_ID' _Item.ID 6752 _Item.Name '_History.Method_ID' _Item.Description ; Pointer to '_Method.ID' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code no _Item.Type_code 'int' save_ save__History.Method_label _Item.Sf_category item_description _Item.Sf_framecode '_History.Method_label' _Item.ID 6753 _Item.Name '_History.Method_label' _Item.Description ; Pointer to a save frame of the category 'method' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code no _Item.Type_code 'framecode' save_ save__History.Software_name _Item.Sf_category item_description _Item.Sf_framecode '_History.Software_name' _Item.ID 6754 _Item.Name '_History.Software_name' _Item.Description ; The name of a software application. ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'line' _Item.Enumerated_code yes _Item.Enumeration_closed_code no loop_ _Item_enumeration.Item_name _Item_enumeration.Value _Item_enumeration.Detail _Item_enumeration.Item_ID _Item_enumeration.Category_ID _Item_enumeration.Dictionary_ID '_History.Software_name' 3DNA ? 6754 464 NMR-STAR '_History.Software_name' 4D-CHAINS ? 6754 464 NMR-STAR '_History.Software_name' ABACUS ? 6754 464 NMR-STAR '_History.Software_name' ADAPT-NMR ? 6754 464 NMR-STAR '_History.Software_name' AMBER ? 6754 464 NMR-STAR '_History.Software_name' ANALYSIS 'CcpNMR Analysis' 6754 464 NMR-STAR '_History.Software_name' AngleSearch ? 6754 464 NMR-STAR '_History.Software_name' ANSIG ? 6754 464 NMR-STAR '_History.Software_name' AQUA ? 6754 464 NMR-STAR '_History.Software_name' ARIA ? 6754 464 NMR-STAR '_History.Software_name' ARIA2 ? 6754 464 NMR-STAR '_History.Software_name' ATHNOS-CANDID ? 6754 464 NMR-STAR '_History.Software_name' AURELIA ? 6754 464 NMR-STAR '_History.Software_name' AS-DP ? 6754 464 NMR-STAR '_History.Software_name' ATNOS ? 6754 464 NMR-STAR '_History.Software_name' ATSAS ? 6754 464 NMR-STAR '_History.Software_name' AUREMOL ? 6754 464 NMR-STAR '_History.Software_name' AutoAssign ? 6754 464 NMR-STAR '_History.Software_name' AutoDep ? 6754 464 NMR-STAR '_History.Software_name' AutoStruct ? 6754 464 NMR-STAR '_History.Software_name' AVS ? 6754 464 NMR-STAR '_History.Software_name' AZARA ? 6754 464 NMR-STAR '_History.Software_name' BATMAN 'small molecule' 6754 464 NMR-STAR '_History.Software_name' calRW ? 6754 464 NMR-STAR '_History.Software_name' CANDID ? 6754 464 NMR-STAR '_History.Software_name' CARA ? 6754 464 NMR-STAR '_History.Software_name' CATIA ? 6754 464 NMR-STAR '_History.Software_name' CcpNMR ? 6754 464 NMR-STAR '_History.Software_name' CH3Shift ? 6754 464 NMR-STAR '_History.Software_name' Chimera ? 6754 464 NMR-STAR '_History.Software_name' CING ? 6754 464 NMR-STAR '_History.Software_name' 'CLUSTAL W/X' ? 6754 464 NMR-STAR '_History.Software_name' CNS ? 6754 464 NMR-STAR '_History.Software_name' CNSSOLVE ? 6754 464 NMR-STAR '_History.Software_name' CoMD/NMR ? 6754 464 NMR-STAR '_History.Software_name' COMPASS ? 6754 464 NMR-STAR '_History.Software_name' CONNJURST ? 6754 464 NMR-STAR '_History.Software_name' CONNJURWB ? 6754 464 NMR-STAR '_History.Software_name' CORMA ? 6754 464 NMR-STAR '_History.Software_name' 'CPMG-Fit (Korzhnev)' ? 6754 464 NMR-STAR '_History.Software_name' 'CPMGFit (Palmer)' ? 6754 464 NMR-STAR '_History.Software_name' CSI ? 6754 464 NMR-STAR '_History.Software_name' CS-Rosetta ? 6754 464 NMR-STAR '_History.Software_name' CURVES ? 6754 464 NMR-STAR '_History.Software_name' CYANA ? 6754 464 NMR-STAR '_History.Software_name' DANGLE ? 6754 464 NMR-STAR '_History.Software_name' DIAMOD ? 6754 464 NMR-STAR '_History.Software_name' DISCOVER ? 6754 464 NMR-STAR '_History.Software_name' DYANA ? 6754 464 NMR-STAR '_History.Software_name' DYNAMO ? 6754 464 NMR-STAR '_History.Software_name' FASTModelFree ? 6754 464 NMR-STAR '_History.Software_name' FMCGUI ? 6754 464 NMR-STAR '_History.Software_name' FuDA ? 6754 464 NMR-STAR '_History.Software_name' GARANT ? 6754 464 NMR-STAR '_History.Software_name' Gaussian ? 6754 464 NMR-STAR '_History.Software_name' GIFA ? 6754 464 NMR-STAR '_History.Software_name' GISSMO 'small molecule' 6754 464 NMR-STAR '_History.Software_name' GROMACS ? 6754 464 NMR-STAR '_History.Software_name' GROMOS ? 6754 464 NMR-STAR '_History.Software_name' GUARDD ? 6754 464 NMR-STAR '_History.Software_name' HADDOCK ? 6754 464 NMR-STAR '_History.Software_name' HYPER ? 6754 464 NMR-STAR '_History.Software_name' istHMS ? 6754 464 NMR-STAR '_History.Software_name' j-UNIO ? 6754 464 NMR-STAR '_History.Software_name' MAGRO ? 6754 464 NMR-STAR '_History.Software_name' MARDIGRAS ? 6754 464 NMR-STAR '_History.Software_name' MARS ? 6754 464 NMR-STAR '_History.Software_name' MD2NOE ? 6754 464 NMR-STAR '_History.Software_name' Mathematica ? 6754 464 NMR-STAR '_History.Software_name' MATLAB ? 6754 464 NMR-STAR '_History.Software_name' MDAnalysis ? 6754 464 NMR-STAR '_History.Software_name' MddNMR ? 6754 464 NMR-STAR '_History.Software_name' MestReNova ? 6754 464 NMR-STAR '_History.Software_name' MetaboAnalystR 'small molecule' 6754 464 NMR-STAR '_History.Software_name' MetScape 'small molecule' 6754 464 NMR-STAR '_History.Software_name' ModelFree ? 6754 464 NMR-STAR '_History.Software_name' Molmol ? 6754 464 NMR-STAR '_History.Software_name' MolProbity ? 6754 464 NMR-STAR '_History.Software_name' MORASS ? 6754 464 NMR-STAR '_History.Software_name' MoSART ? 6754 464 NMR-STAR '_History.Software_name' MVAPACK 'small molecule' 6754 464 NMR-STAR '_History.Software_name' NAMD ? 6754 464 NMR-STAR '_History.Software_name' NESSY ? 6754 464 NMR-STAR '_History.Software_name' NMRbox ? 6754 464 NMR-STAR '_History.Software_name' NMRDraw ? 6754 464 NMR-STAR '_History.Software_name' NMRest ? 6754 464 NMR-STAR '_History.Software_name' NMRFAM-SPARKY ? 6754 464 NMR-STAR '_History.Software_name' NMRFx ? 6754 464 NMR-STAR '_History.Software_name' 'NMRFx Analyst' ? 6754 464 NMR-STAR '_History.Software_name' 'NMRFx Processor' ? 6754 464 NMR-STAR '_History.Software_name' 'NMRFx Structure' ? 6754 464 NMR-STAR '_History.Software_name' nmrglue ? 6754 464 NMR-STAR '_History.Software_name' NMRPipe ? 6754 464 NMR-STAR '_History.Software_name' NMRspy ? 6754 464 NMR-STAR '_History.Software_name' NMRView ? 6754 464 NMR-STAR '_History.Software_name' NMRViewJ ? 6754 464 NMR-STAR '_History.Software_name' NOAH ? 6754 464 NMR-STAR '_History.Software_name' nus-tool ? 6754 464 NMR-STAR '_History.Software_name' Olivia ? 6754 464 NMR-STAR '_History.Software_name' OPAL ? 6754 464 NMR-STAR '_History.Software_name' OPALp ? 6754 464 NMR-STAR '_History.Software_name' Origin ? 6754 464 NMR-STAR '_History.Software_name' PALES ? 6754 464 NMR-STAR '_History.Software_name' PDBStat ? 6754 464 NMR-STAR '_History.Software_name' PECAN ? 6754 464 NMR-STAR '_History.Software_name' PINE ? 6754 464 NMR-STAR '_History.Software_name' PIPP ? 6754 464 NMR-STAR '_History.Software_name' PISTACHIO ? 6754 464 NMR-STAR '_History.Software_name' PONDEROSA ? 6754 464 NMR-STAR '_History.Software_name' Procheck ? 6754 464 NMR-STAR '_History.Software_name' ProcheckNMR ? 6754 464 NMR-STAR '_History.Software_name' PRONTO ? 6754 464 NMR-STAR '_History.Software_name' PROSA ? 6754 464 NMR-STAR '_History.Software_name' PSVS ? 6754 464 NMR-STAR '_History.Software_name' PyMOL ? 6754 464 NMR-STAR '_History.Software_name' qMDD ? 6754 464 NMR-STAR '_History.Software_name' QUEEN ? 6754 464 NMR-STAR '_History.Software_name' REDCAT ? 6754 464 NMR-STAR '_History.Software_name' REDCRAFT ? 6754 464 NMR-STAR '_History.Software_name' Relax ? 6754 464 NMR-STAR '_History.Software_name' RNAstructure ? 6754 464 NMR-STAR '_History.Software_name' rNMR 'small molecule' 6754 464 NMR-STAR '_History.Software_name' RNMRTK ? 6754 464 NMR-STAR '_History.Software_name' Rosetta ? 6754 464 NMR-STAR '_History.Software_name' SANE ? 6754 464 NMR-STAR '_History.Software_name' SCRUB ? 6754 464 NMR-STAR '_History.Software_name' SHIFTS ? 6754 464 NMR-STAR '_History.Software_name' ShiftX ? 6754 464 NMR-STAR '_History.Software_name' ShiftX2 ? 6754 464 NMR-STAR '_History.Software_name' SMILE ? 6754 464 NMR-STAR '_History.Software_name' SPARKY ? 6754 464 NMR-STAR '_History.Software_name' SPARTA ? 6754 464 NMR-STAR '_History.Software_name' SPARTA+ ? 6754 464 NMR-STAR '_History.Software_name' SPSCAN ? 6754 464 NMR-STAR '_History.Software_name' SYBYL ? 6754 464 NMR-STAR '_History.Software_name' TALOS ? 6754 464 NMR-STAR '_History.Software_name' TALOS+ ? 6754 464 NMR-STAR '_History.Software_name' TALOS-N ? 6754 464 NMR-STAR '_History.Software_name' TANSY ? 6754 464 NMR-STAR '_History.Software_name' Tensor ? 6754 464 NMR-STAR '_History.Software_name' TINKER ? 6754 464 NMR-STAR '_History.Software_name' TOPSPIN ? 6754 464 NMR-STAR '_History.Software_name' UNIO ? 6754 464 NMR-STAR '_History.Software_name' UNIO-MATCH ? 6754 464 NMR-STAR '_History.Software_name' UXNMR ? 6754 464 NMR-STAR '_History.Software_name' VMD ? 6754 464 NMR-STAR '_History.Software_name' VMD-Xplor ? 6754 464 NMR-STAR '_History.Software_name' VNMR ? 6754 464 NMR-STAR '_History.Software_name' VNMRj ? 6754 464 NMR-STAR '_History.Software_name' WhatIF ? 6754 464 NMR-STAR '_History.Software_name' XEASY ? 6754 464 NMR-STAR '_History.Software_name' X-PLOR ? 6754 464 NMR-STAR '_History.Software_name' 'X-PLOR NIH' ? 6754 464 NMR-STAR '_History.Software_name' xwinnmr ? 6754 464 NMR-STAR '_History.Software_name' YASARA ? 6754 464 NMR-STAR stop_ save_ save__History.Software_version _Item.Sf_category item_description _Item.Sf_framecode '_History.Software_version' _Item.ID 6755 _Item.Name '_History.Software_version' _Item.Description ; The software version designation. ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code no _Item.Type_code 'line' save_ save__History.Script_name _Item.Sf_category item_description _Item.Sf_framecode '_History.Script_name' _Item.ID 6756 _Item.Name '_History.Script_name' _Item.Description ; The name of a software script used with a software application. ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code no _Item.Type_code 'line' save_ save__History.Script _Item.Sf_category item_description _Item.Sf_framecode '_History.Script' _Item.ID 6757 _Item.Name '_History.Script' _Item.Description ; The script used with a software application. ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code no _Item.Type_code 'text' save_ save__History.Sf_ID _Item.Sf_category item_description _Item.Sf_framecode '_History.Sf_ID' _Item.ID 6758 _Item.Name '_History.Sf_ID' _Item.Description ; Pointer to '_Software_applied_history.Sf_ID' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'int' save_ save__History.Entry_ID _Item.Sf_category item_description _Item.Sf_framecode '_History.Entry_ID' _Item.ID 6759 _Item.Name '_History.Entry_ID' _Item.Description ; Pointer to '_Entry.ID' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'code' save_ save__History.Software_applied_history_ID _Item.Sf_category item_description _Item.Sf_framecode '_History.Software_applied_history_ID' _Item.ID 6760 _Item.Name '_History.Software_applied_history_ID' _Item.Description ; Pointer to '_Software_applied_history.ID' ; _Item.Category_ID 464 _Item.Category_label $History _Item.Mandatory_code yes _Item.Type_code 'int' save_