NMR-STAR dictionary: Supergroups (collections of saveframes)

Supergroup 1 : Entry information

• deposited_data_files (Deposit data files)
• entry_information (Entry information)
• entry_interview (Entry interview)
• study_list (Studies)

Supergroup 2 : Citations

• citations (Citations)

Supergroup 3 : Molecular assembly

• assembly (Molecular assembly)
• assembly_annotation (Molecular assembly annotation)
• assembly_subsystems (Molecular assembly subsystem descriptions)
• chem_comp (Ligands, cofactors, etc.)
• entity (Molecular entity)
• experimental_source (Experimental source)
• natural_source (Natural source)

Supergroup 4 : Experimental descriptions

• chromatographic_column (Chromatographic column)
• chromatographic_system (Chromatographic system)
• computer (Computer hardware description)
• experiment_list (NMR experiments and samples)
• Mass_spec_ref_compd (Mass spectral reference compounds)
• Mass_spectrometer (Mass spectrometer)
• Mass_spectrometer_list (Mass spectrometer list)
• method (Methods)
• molecule_purity (Sample content purity)
• NMR_spectral_processing (NMR spectral processing protocols)
• NMR_spectrometer (NMR spectrometer)
• NMR_spectrometer_expt (NMR experiment details)
• NMR_spectrometer_list (NMR spectrometer list)
• NMR_spectrometer_probe (NMR probe descriptions)
• sample (Sample)
• sample_conditions (Sample conditions)
• software (Software descriptions)

Supergroup 5 : NMR parameters

• assigned_chemical_shifts (Assigned chemical shifts)
• chem_shift_anisotropy (Chemical shift anisotropy)
• chem_shift_interaction_diff (Molecular interaction data)
• chem_shift_isotope_effect (Chemical shift isotope effects)
• chem_shift_reference (Chemical shift references)
• chem_shifts_calc_type (Chemical shift calculation type)
• coupling_constants (Coupling constants)
• dipolar_couplings (Dipolar couplings)
• other_data_types (Other types of Data)
• RDCs (Residual dipolar couplings)
• resonance_linker (Data derivation)
• spectral_density_values (Spectral density values)
• spectral_peak_list (Spectral peak lists)
• theoretical_chem_shifts (Theoretical chemical shifts)

Supergroup 6 : Kinetic data

• auto_relaxation (Auto relaxation data)
• chemical_rates (General chemical rate data)
• dipole_CSA_cross_correlations (Dipole-CSA cross correlation relaxation)
• dipole_dipole_cross_correlations (Dipole-Dipole cross correlation relaxation)
• dipole_dipole_relaxation (Dipole-Dipole relaxation data)
• heteronucl_NOEs (Heteronuclear NOEs)
• heteronucl_T1_relaxation (Heteronuclear T1 data)
• heteronucl_T1rho_relaxation (Heteronuclear T1rho data)
• heteronucl_T2_relaxation (Heteronuclear T2 data)
• H_exch_protection_factors (H-exchange protection factors)
• H_exch_rates (H-exchange rates)
• homonucl_NOEs (Homonuclear NOEs)

Supergroup 7 : Thermodynamic data

• binding_data (binding_data)
• binding_param_list (binding_data)
• D_H_fractionation_factors (D/H fractionation factors)
• order_parameters (Order parameters)
• pH_param_list (pKa parameter data sets)
• pH_titration (pKa values)

Supergroup 8 : Structure determination

• angular_order_parameters (Angular order parameters)
• bond_annotation (Bond annotations)
• CA_CB_chem_shift_constraints (CA/CB chemical shift constraints)
• conformer_family_coord_set (Conformer refinement methods)
• conformer_statistics (Conformer statistics)
• constraint_statistics (Constraint statistics)
• deduced_hydrogen_bonds (Deduced hydrogen bonds)
• deduced_secd_struct_features (Secondary structure features)
• distance_constraints (Distance constraints)
• floating_chiral_stereo_assign (Floating chirality stereoassignments)
• force_constants (Force constants)
• general_distance_constraints (General distance constraints)
• H_chem_shift_constraints (Proton chemical shift constraints)
• interatomic_distance (Interatomic distances)
• J_three_bond_constraints (J three bond constraints)
• org_constr_file_comment (Original constraint file general comments)
• other_constraints (Other constraints)
• other_struct_features (Other secondary structure features)
• RDC_constraints (Residual dipolar coupling constraints)
• representative_conformer (Representative conformer refinement)
• secondary_structs (Secondary structure features)
• structure_interactions (Structural interactions)
• tensor (General tensors)
• tertiary_struct_elements (Tertiary structure elements)
• torsion_angle_constraints (Torsion angle constraints)