Category Group Index mmcif_nmr-star.dic

angular_order_parameters

Categories that capture a set of angular order parameters calculated from a family of conformers.

assembly_annotation

Categories that provide annotations for a molecular assembly.

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.

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.

binding_data

Categories that capture the binding data derived from a chemical binding experiment and links to the experimental details.

binding_param_list

Categories that capture the NMR spectral parameters derived from a chemical binding experiment.

bond_annotation

Categories that capture annotations for the bonds found in the conformers calculated for a biomolecular system.

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.

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.

chem_shift_interaction_diff

Categories that capture chemical shift deviations caused by molecular interactions and links to the samples, sample conditions, NMR experiments, and other information about how the deviation values were derived.

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.

chem_shift_reference

Categories that capture information about the compounds and parameters used to reference NMR chemical shifts.

chem_shifts_calc_type

Categories that define the type of calculation used to generate a list of theoretical chemical shifts for a molecule.

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.

chromatographic_column

Categories that describe a chromatographic column.

chromatographic_system

Categories that describe a chromatographic system.

computer

Categories that describe a computer.

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.

conformer_statistics

Categories that capture statistics derived from the three-dimensional conformers calculated for a biomolecule.

constraint_statistics

Categories that capture statistics derived from the constraints used to calculate the three-dimension conformers for a biomolecule and the constraint violations.

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.

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.

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.

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.

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.

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.

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.

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.

emr_expt

Categories that describe an electron magnetic resonance experiment.

emr_instrument

Categories that describe an EMR instrument.

entry_information

Categories that describe an entry.

experiment_list

Categories that describe a list of experiments.

experimental_source

Categories that describe the system used to produce a molecular entity for scientific experiments.

floating_chiral_stereo_assign

Categories that capture the floating chirality stereo assignments used in calculating the conformers for a biomolecular system.

fluorescence_instrument

Categories that describe a fluorescence instrument.

force_constants

Categories that describe the values for the force constants used in calculating a family of conformers for a biomolecular system.

fret_expt

Categories that describe a fluorescence experiment.

h_chem_shift_constraints

Categories that capture the proton chemical shift constraints used to calculate one or more conformers for a biomolecular system.

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.

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.

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.

heteronucl_t1_relaxation

Categories that capture heteronuclear T1 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.

heteronucl_t1rho_relaxation

Categories that capture heteronuclear T1rho relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.

heteronucl_t2_relaxation

Categories that capture heteronuclear T2 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.

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.

inclusive_group

Categories that belong to the NMR-STAR dictionary.

interatomic_distance

Categories that describe a set of interatomic distances in a molecular assembly.

j_three_bond_constraints

Categories that capture the three bond scalar coupling constraints used to calculate one or more conformers for a biomolecular system.

mass_spec_ref_compd

Categories that describe reference compounds used to calibrate mass spectral data.

mass_spectrometer_list

Categories that describe a list of mass spectrometers and their properties.

method

Categories that describe software or physical methods used to produce a product.

molecule_purity

Categories that describe the measured purity of the molecular entity.

ms_expt

Categories that describe a mass spectroscopy experiment.

natural_source

Categories that describe the organism or other body found in nature that produces a molecular entity.

nmr_spectral_processing

Categories that describe how the data from an NMR spectrometer experiment has been processed.

nmr_spectrometer

Categories that describe an NMR spectrometer.

nmr_spectrometer_list

Categories that define a list of NMR spectrometers and their properties.

nmr_spectrometer_probe

Categories that describe an NMR spectrometer probe.

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.

org_constr_file_comment

Categories that capture the comments extracted from one or more original constraint files.

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.

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.

other_struct_features

Categories that provide a means for describing other structure features not specifically defined in other category groups.

ph_param_list

Categories that capture the NMR spectral parameters derived from a pH titration experiment.

ph_titration

Categories that capture the pKa or pHmid values derived from a pH titration experiment and links to the experimental details.

rdc_constraints

Categories that capture the residual dipolar coupling constraints used to calculate one or more conformers for a biomolecular system.

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.

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.

resonance_linker

Categories that describe the linking of resonances to chemical spin systems and experimental results.

sample

Categories that describe the contents and other details about the samples used in scientific experiments.

sample_conditions

Categories that describe the experimental conditions used in conducting individual scientific experiments.

saxs_constraints

Categories that capture the SAXS constraints used to calculate one or more conformers for a biomolecular system.

saxs_expt

Categories that describe a small angle X-ray scattering experiment.

secondary_structs

Categories that describe the secondary structure elements found in the conformers calculated for a biomolecular system.

software

Categories that describe computer software.

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.

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.

structure_interactions

Categories that describe the interactions between molecules in a biomolecular system that have been found through the analysis of the calculated conformers.

study_list

Categories that describe a study of a molecular system that includes data from one or more entries.

tensor

Categories that describe the chemical shielding tensors for a theoretical chemical shift calculation.

tertiary_struct_elements

Categories that describe the tertiary structure elements found in the conformers calculated for a biomolecular system.

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.

xray_instrument

Categories that describe a X-ray instrument.