data_2573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2573 _Entry.Title ; Fast Internal Main-Chain Dynamics of Human Ubiquitin ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Diane Schneider . M. . 2573 2 Martin Dellwo . J. . 2573 3 A. Wand . Joshua . 2573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 70 2573 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2010-06-17 . revision BMRB 'Complete natural source information' 2573 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2573 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2573 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Schneider, Diane M., Dellwo, Martin J., Wand, A. Joshua, "Fast Internal Main-Chain Dynamics of Human Ubiquitin," Biochemistry 31 (14), 3645-3652 (1992). ; _Citation.Title 'Fast Internal Main-Chain Dynamics of Human Ubiquitin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3645 _Citation.Page_last 3652 _Citation.Year 1992 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Diane Schneider . M. . 2573 1 2 Martin Dellwo . J. . 2573 1 3 A. Wand . Joshua . 2573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ubiquitin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ubiquitin _Assembly.Entry_ID 2573 _Assembly.ID 1 _Assembly.Name ubiquitin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ubiquitin 1 $ubiquitin . . . . . . . . . 2573 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ubiquitin system 2573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode ubiquitin _Entity.Entry_ID 2573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ubiquitin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; XQIFVKTLTGKTITLEVEXS DTIXNVKAKIQDKEGIXXDL QRLIFAGKQLEDGRTLSDYN IQKGSTLHLVLRLRGG ; _Entity.Polymer_seq_one_letter_code ; XQIFVKTLTGKTITLEVEXS DTIXNVKAKIQDKEGIXXDL QRLIFAGKQLEDGRTLSDYN IQKGSTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 2574 . ubiquitin . . . . . 98.68 76 100.00 100.00 5.56e-40 . . . . 2573 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ubiquitin common 2573 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . X . 2573 1 2 . GLN . 2573 1 3 . ILE . 2573 1 4 . PHE . 2573 1 5 . VAL . 2573 1 6 . LYS . 2573 1 7 . THR . 2573 1 8 . LEU . 2573 1 9 . THR . 2573 1 10 . GLY . 2573 1 11 . LYS . 2573 1 12 . THR . 2573 1 13 . ILE . 2573 1 14 . THR . 2573 1 15 . LEU . 2573 1 16 . GLU . 2573 1 17 . VAL . 2573 1 18 . GLU . 2573 1 19 . X . 2573 1 20 . SER . 2573 1 21 . ASP . 2573 1 22 . THR . 2573 1 23 . ILE . 2573 1 24 . X . 2573 1 25 . ASN . 2573 1 26 . VAL . 2573 1 27 . LYS . 2573 1 28 . ALA . 2573 1 29 . LYS . 2573 1 30 . ILE . 2573 1 31 . GLN . 2573 1 32 . ASP . 2573 1 33 . LYS . 2573 1 34 . GLU . 2573 1 35 . GLY . 2573 1 36 . ILE . 2573 1 37 . X . 2573 1 38 . X . 2573 1 39 . ASP . 2573 1 40 . LEU . 2573 1 41 . GLN . 2573 1 42 . ARG . 2573 1 43 . LEU . 2573 1 44 . ILE . 2573 1 45 . PHE . 2573 1 46 . ALA . 2573 1 47 . GLY . 2573 1 48 . LYS . 2573 1 49 . GLN . 2573 1 50 . LEU . 2573 1 51 . GLU . 2573 1 52 . ASP . 2573 1 53 . GLY . 2573 1 54 . ARG . 2573 1 55 . THR . 2573 1 56 . LEU . 2573 1 57 . SER . 2573 1 58 . ASP . 2573 1 59 . TYR . 2573 1 60 . ASN . 2573 1 61 . ILE . 2573 1 62 . GLN . 2573 1 63 . LYS . 2573 1 64 . GLY . 2573 1 65 . SER . 2573 1 66 . THR . 2573 1 67 . LEU . 2573 1 68 . HIS . 2573 1 69 . LEU . 2573 1 70 . VAL . 2573 1 71 . LEU . 2573 1 72 . ARG . 2573 1 73 . LEU . 2573 1 74 . ARG . 2573 1 75 . GLY . 2573 1 76 . GLY . 2573 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . X 1 1 2573 1 . GLN 2 2 2573 1 . ILE 3 3 2573 1 . PHE 4 4 2573 1 . VAL 5 5 2573 1 . LYS 6 6 2573 1 . THR 7 7 2573 1 . LEU 8 8 2573 1 . THR 9 9 2573 1 . GLY 10 10 2573 1 . LYS 11 11 2573 1 . THR 12 12 2573 1 . ILE 13 13 2573 1 . THR 14 14 2573 1 . LEU 15 15 2573 1 . GLU 16 16 2573 1 . VAL 17 17 2573 1 . GLU 18 18 2573 1 . X 19 19 2573 1 . SER 20 20 2573 1 . ASP 21 21 2573 1 . THR 22 22 2573 1 . ILE 23 23 2573 1 . X 24 24 2573 1 . ASN 25 25 2573 1 . VAL 26 26 2573 1 . LYS 27 27 2573 1 . ALA 28 28 2573 1 . LYS 29 29 2573 1 . ILE 30 30 2573 1 . GLN 31 31 2573 1 . ASP 32 32 2573 1 . LYS 33 33 2573 1 . GLU 34 34 2573 1 . GLY 35 35 2573 1 . ILE 36 36 2573 1 . X 37 37 2573 1 . X 38 38 2573 1 . ASP 39 39 2573 1 . LEU 40 40 2573 1 . GLN 41 41 2573 1 . ARG 42 42 2573 1 . LEU 43 43 2573 1 . ILE 44 44 2573 1 . PHE 45 45 2573 1 . ALA 46 46 2573 1 . GLY 47 47 2573 1 . LYS 48 48 2573 1 . GLN 49 49 2573 1 . LEU 50 50 2573 1 . GLU 51 51 2573 1 . ASP 52 52 2573 1 . GLY 53 53 2573 1 . ARG 54 54 2573 1 . THR 55 55 2573 1 . LEU 56 56 2573 1 . SER 57 57 2573 1 . ASP 58 58 2573 1 . TYR 59 59 2573 1 . ASN 60 60 2573 1 . ILE 61 61 2573 1 . GLN 62 62 2573 1 . LYS 63 63 2573 1 . GLY 64 64 2573 1 . SER 65 65 2573 1 . THR 66 66 2573 1 . LEU 67 67 2573 1 . HIS 68 68 2573 1 . LEU 69 69 2573 1 . VAL 70 70 2573 1 . LEU 71 71 2573 1 . ARG 72 72 2573 1 . LEU 73 73 2573 1 . ARG 74 74 2573 1 . GLY 75 75 2573 1 . GLY 76 76 2573 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 2573 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ubiquitin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 2573 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 2573 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ubiquitin . 'not available' 'Escherichia coli' . . . Escherichia coli generic . . . . . . . . . . . . . . . . . . . . . . 2573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2573 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2573 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5 . na 2573 1 temperature 293 . K 2573 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2573 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2573 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 2573 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2573 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2573 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID N . [15N](NH4)2SO4 . . . . . ppm 24.93 . . . . . . 1 $entry_citation . . 1 $entry_citation 2573 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 2573 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN N N 15 126.9 . . 1 . . . . . . . . 2573 1 2 . 1 1 3 3 ILE N N 15 119.3 . . 1 . . . . . . . . 2573 1 3 . 1 1 4 4 PHE N N 15 122.4 . . 1 . . . . . . . . 2573 1 4 . 1 1 5 5 VAL N N 15 125.1 . . 1 . . . . . . . . 2573 1 5 . 1 1 6 6 LYS N N 15 131.7 . . 1 . . . . . . . . 2573 1 6 . 1 1 7 7 THR N N 15 119.5 . . 1 . . . . . . . . 2573 1 7 . 1 1 8 8 LEU N N 15 125.3 . . 1 . . . . . . . . 2573 1 8 . 1 1 9 9 THR N N 15 109.8 . . 1 . . . . . . . . 2573 1 9 . 1 1 10 10 GLY N N 15 113.1 . . 1 . . . . . . . . 2573 1 10 . 1 1 11 11 LYS N N 15 112.5 . . 1 . . . . . . . . 2573 1 11 . 1 1 12 12 THR N N 15 124.5 . . 1 . . . . . . . . 2573 1 12 . 1 1 13 13 ILE N N 15 131.6 . . 1 . . . . . . . . 2573 1 13 . 1 1 14 14 THR N N 15 125.8 . . 1 . . . . . . . . 2573 1 14 . 1 1 15 15 LEU N N 15 129.1 . . 1 . . . . . . . . 2573 1 15 . 1 1 16 16 GLU N N 15 126.4 . . 1 . . . . . . . . 2573 1 16 . 1 1 17 17 VAL N N 15 121.5 . . 1 . . . . . . . . 2573 1 17 . 1 1 18 18 GLU N N 15 122.7 . . 1 . . . . . . . . 2573 1 18 . 1 1 20 20 SER N N 15 125.8 . . 1 . . . . . . . . 2573 1 19 . 1 1 21 21 ASP N N 15 127.3 . . 1 . . . . . . . . 2573 1 20 . 1 1 22 22 THR N N 15 112.2 . . 1 . . . . . . . . 2573 1 21 . 1 1 23 23 ILE N N 15 125.1 . . 1 . . . . . . . . 2573 1 22 . 1 1 25 25 ASN N N 15 123.5 . . 1 . . . . . . . . 2573 1 23 . 1 1 26 26 VAL N N 15 125.9 . . 1 . . . . . . . . 2573 1 24 . 1 1 27 27 LYS N N 15 122.6 . . 1 . . . . . . . . 2573 1 25 . 1 1 28 28 ALA N N 15 127 . . 1 . . . . . . . . 2573 1 26 . 1 1 29 29 LYS N N 15 121.4 . . 1 . . . . . . . . 2573 1 27 . 1 1 30 30 ILE N N 15 125.1 . . 1 . . . . . . . . 2573 1 28 . 1 1 31 31 GLN N N 15 127.6 . . 1 . . . . . . . . 2573 1 29 . 1 1 32 32 ASP N N 15 123.8 . . 1 . . . . . . . . 2573 1 30 . 1 1 33 33 LYS N N 15 119.6 . . 1 . . . . . . . . 2573 1 31 . 1 1 34 34 GLU N N 15 118.2 . . 1 . . . . . . . . 2573 1 32 . 1 1 35 35 GLY N N 15 112.8 . . 1 . . . . . . . . 2573 1 33 . 1 1 36 36 ILE N N 15 124.2 . . 1 . . . . . . . . 2573 1 34 . 1 1 39 39 ASP N N 15 117.4 . . 1 . . . . . . . . 2573 1 35 . 1 1 40 40 LEU N N 15 120.9 . . 1 . . . . . . . . 2573 1 36 . 1 1 41 41 GLN N N 15 121.1 . . 1 . . . . . . . . 2573 1 37 . 1 1 42 42 ARG N N 15 127 . . 1 . . . . . . . . 2573 1 38 . 1 1 43 43 LEU N N 15 128.3 . . 1 . . . . . . . . 2573 1 39 . 1 1 44 44 ILE N N 15 126 . . 1 . . . . . . . . 2573 1 40 . 1 1 45 45 PHE N N 15 129.4 . . 1 . . . . . . . . 2573 1 41 . 1 1 46 46 ALA N N 15 136.8 . . 1 . . . . . . . . 2573 1 42 . 1 1 47 47 GLY N N 15 106.5 . . 1 . . . . . . . . 2573 1 43 . 1 1 48 48 LYS N N 15 125.9 . . 1 . . . . . . . . 2573 1 44 . 1 1 49 49 GLN N N 15 126.7 . . 1 . . . . . . . . 2573 1 45 . 1 1 50 50 LEU N N 15 129.8 . . 1 . . . . . . . . 2573 1 46 . 1 1 51 51 GLU N N 15 127 . . 1 . . . . . . . . 2573 1 47 . 1 1 52 52 ASP N N 15 123.9 . . 1 . . . . . . . . 2573 1 48 . 1 1 54 54 ARG N N 15 123 . . 1 . . . . . . . . 2573 1 49 . 1 1 55 55 THR N N 15 112.9 . . 1 . . . . . . . . 2573 1 50 . 1 1 56 56 LEU N N 15 122.1 . . 1 . . . . . . . . 2573 1 51 . 1 1 57 57 SER N N 15 117.1 . . 1 . . . . . . . . 2573 1 52 . 1 1 58 58 ASP N N 15 128 . . 1 . . . . . . . . 2573 1 53 . 1 1 59 59 TYR N N 15 119.6 . . 1 . . . . . . . . 2573 1 54 . 1 1 60 60 ASN N N 15 120.2 . . 1 . . . . . . . . 2573 1 55 . 1 1 61 61 ILE N N 15 122.6 . . 1 . . . . . . . . 2573 1 56 . 1 1 62 62 GLN N N 15 129.1 . . 1 . . . . . . . . 2573 1 57 . 1 1 63 63 LYS N N 15 124.5 . . 1 . . . . . . . . 2573 1 58 . 1 1 64 64 GLY N N 15 118.3 . . 1 . . . . . . . . 2573 1 59 . 1 1 65 65 SER N N 15 118.9 . . 1 . . . . . . . . 2573 1 60 . 1 1 66 66 THR N N 15 121.3 . . 1 . . . . . . . . 2573 1 61 . 1 1 67 67 LEU N N 15 131.5 . . 1 . . . . . . . . 2573 1 62 . 1 1 68 68 HIS N N 15 123.6 . . 1 . . . . . . . . 2573 1 63 . 1 1 69 69 LEU N N 15 128.3 . . 1 . . . . . . . . 2573 1 64 . 1 1 70 70 VAL N N 15 130.8 . . 1 . . . . . . . . 2573 1 65 . 1 1 71 71 LEU N N 15 127 . . 1 . . . . . . . . 2573 1 66 . 1 1 72 72 ARG N N 15 127.7 . . 1 . . . . . . . . 2573 1 67 . 1 1 73 73 LEU N N 15 128.5 . . 1 . . . . . . . . 2573 1 68 . 1 1 74 74 ARG N N 15 125.9 . . 1 . . . . . . . . 2573 1 69 . 1 1 75 75 GLY N N 15 115 . . 1 . . . . . . . . 2573 1 70 . 1 1 76 76 GLY N N 15 118.9 . . 1 . . . . . . . . 2573 1 stop_ save_