data_51318 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51318 _Entry.Title ; C-terminal domain of the Vasopressin V2 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-09 _Entry.Accession_date 2022-02-09 _Entry.Last_release_date 2022-02-09 _Entry.Original_release_date 2022-02-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Myriam Guillien . . . . 51318 2 Nathalie Sibille . . . . 51318 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51318 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 82 51318 '15N chemical shifts' 28 51318 '1H chemical shifts' 28 51318 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 1 . . 2022-06-08 . original BMRB . 51318 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51316 'b2-adrenergic receptor C-terminal domain' 51318 BMRB 51317 'C-terminal domain of the Growth Hormone Secretagogue Receptor type 1a' 51318 BMRB 51319 'phosphomimetic variant of the C-terminal domain of the b2-adrenergic receptor' 51318 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51318 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35625550 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Insights into the Intrinsically Disordered GPCR C-Terminal Region, Major Actor in Arrestin-GPCR Interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 12 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _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 617 _Citation.Page_last 617 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Myriam Guillien M. . . . 51318 1 2 Assia Mouhand A. . . . 51318 1 3 Aurelie Fournet A. . . . 51318 1 4 Amandine Gontier A. . . . 51318 1 5 Aleix 'Marti Navia' A. . . . 51318 1 6 Tiago Cordeiro T. N. . . 51318 1 7 Frederic Allemand F. . . . 51318 1 8 Aurelien Thureau A. . . . 51318 1 9 Jean-Louis Baneres J. L. . . 51318 1 10 Pau Bernado P. . . . 51318 1 11 Nathalie Sibille N. . . . 51318 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51318 _Assembly.ID 1 _Assembly.Name 'V2R-Cter GPCR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _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 'V2R-Cter GPCR' 1 $entity_1 . . yes native no no . . . 51318 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51318 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 . _Entity.Polymer_seq_one_letter_code ; GPMAARGRTPPSLGPQDESC TTASSSLAKDTSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 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 1 339 GLY . 51318 1 2 340 PRO . 51318 1 3 341 MET . 51318 1 4 342 ALA . 51318 1 5 343 ALA . 51318 1 6 344 ARG . 51318 1 7 345 GLY . 51318 1 8 346 ARG . 51318 1 9 347 THR . 51318 1 10 348 PRO . 51318 1 11 349 PRO . 51318 1 12 350 SER . 51318 1 13 351 LEU . 51318 1 14 352 GLY . 51318 1 15 353 PRO . 51318 1 16 354 GLN . 51318 1 17 355 ASP . 51318 1 18 356 GLU . 51318 1 19 357 SER . 51318 1 20 358 CYS . 51318 1 21 359 THR . 51318 1 22 360 THR . 51318 1 23 361 ALA . 51318 1 24 362 SER . 51318 1 25 363 SER . 51318 1 26 364 SER . 51318 1 27 365 LEU . 51318 1 28 366 ALA . 51318 1 29 367 LYS . 51318 1 30 368 ASP . 51318 1 31 369 THR . 51318 1 32 370 SER . 51318 1 33 371 SER . 51318 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 . GLY 1 1 51318 1 . PRO 2 2 51318 1 . MET 3 3 51318 1 . ALA 4 4 51318 1 . ALA 5 5 51318 1 . ARG 6 6 51318 1 . GLY 7 7 51318 1 . ARG 8 8 51318 1 . THR 9 9 51318 1 . PRO 10 10 51318 1 . PRO 11 11 51318 1 . SER 12 12 51318 1 . LEU 13 13 51318 1 . GLY 14 14 51318 1 . PRO 15 15 51318 1 . GLN 16 16 51318 1 . ASP 17 17 51318 1 . GLU 18 18 51318 1 . SER 19 19 51318 1 . CYS 20 20 51318 1 . THR 21 21 51318 1 . THR 22 22 51318 1 . ALA 23 23 51318 1 . SER 24 24 51318 1 . SER 25 25 51318 1 . SER 26 26 51318 1 . LEU 27 27 51318 1 . ALA 28 28 51318 1 . LYS 29 29 51318 1 . ASP 30 30 51318 1 . THR 31 31 51318 1 . SER 32 32 51318 1 . SER 33 33 51318 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51318 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51318 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51318 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETM33 . . . 51318 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51318 _Sample.ID 1 _Sample.Name '13C 15N V2R-Cter' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'V2R-Cter GPCR' '[U-13C; U-15N]' . . 1 $entity_1 . . 170 . . uM . . . . 51318 1 2 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 51318 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51318 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51318 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51318 1 6 DSS-d6 [U-2H] . . . . . . 5 . . mM . . . . 51318 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51318 _Sample_condition_list.ID 1 _Sample_condition_list.Name pH6.7_293K _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 'ionic strength' 150 . mM 51318 1 pH 6.7 . pH 51318 1 pressure 1 . atm 51318 1 temperature 293 . K 51318 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51318 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51318 1 'data analysis' . 51318 1 'peak picking' . 51318 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51318 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Brucker ADVANCE III 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51318 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 7 '2D HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51318 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51318 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51318 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51318 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51318 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51318 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name V2R-cter _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '3D HNCACB' . . . 51318 1 2 '3D CBCA(CO)NH' . . . 51318 1 3 '3D HNCO' . . . 51318 1 4 '3D HN(CA)CO' . . . 51318 1 5 '3D HNCA' . . . 51318 1 6 '3D HN(CO)CA' . . . 51318 1 7 '2D HSQC' . . . 51318 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51318 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 MET H H 1 8.59 . . . . . . . . 341 M HN . 51318 1 2 . 1 . 1 3 3 MET C C 13 176.08 . . . . . . . . 341 M CO . 51318 1 3 . 1 . 1 3 3 MET CA C 13 55.88 . . . . . . . . 341 M CA . 51318 1 4 . 1 . 1 3 3 MET CB C 13 32.89 . . . . . . . . 341 M CB . 51318 1 5 . 1 . 1 3 3 MET N N 15 121.03 . . . . . . . . 341 M N . 51318 1 6 . 1 . 1 4 4 ALA H H 1 8.35 . . . . . . . . 342 A HN . 51318 1 7 . 1 . 1 4 4 ALA C C 13 177.44 . . . . . . . . 342 A CO . 51318 1 8 . 1 . 1 4 4 ALA CA C 13 52.49 . . . . . . . . 342 A CA . 51318 1 9 . 1 . 1 4 4 ALA CB C 13 19.12 . . . . . . . . 342 A CB . 51318 1 10 . 1 . 1 4 4 ALA N N 15 125.79 . . . . . . . . 342 A N . 51318 1 11 . 1 . 1 5 5 ALA H H 1 8.3 . . . . . . . . 343 A HN . 51318 1 12 . 1 . 1 5 5 ALA C C 13 177.79 . . . . . . . . 343 A CO . 51318 1 13 . 1 . 1 5 5 ALA CA C 13 52.5 . . . . . . . . 343 A CA . 51318 1 14 . 1 . 1 5 5 ALA CB C 13 19.2 . . . . . . . . 343 A CB . 51318 1 15 . 1 . 1 5 5 ALA N N 15 123.61 . . . . . . . . 343 A N . 51318 1 16 . 1 . 1 6 6 ARG H H 1 8.33 . . . . . . . . 344 R HN . 51318 1 17 . 1 . 1 6 6 ARG C C 13 176.91 . . . . . . . . 344 R CO . 51318 1 18 . 1 . 1 6 6 ARG CA C 13 56.27 . . . . . . . . 344 R CA . 51318 1 19 . 1 . 1 6 6 ARG CB C 13 30.76 . . . . . . . . 344 R CB . 51318 1 20 . 1 . 1 6 6 ARG N N 15 120.43 . . . . . . . . 344 R N . 51318 1 21 . 1 . 1 7 7 GLY H H 1 8.43 . . . . . . . . 345 G HN . 51318 1 22 . 1 . 1 7 7 GLY C C 13 173.89 . . . . . . . . 345 G CO . 51318 1 23 . 1 . 1 7 7 GLY CA C 13 45.15 . . . . . . . . 345 G CA . 51318 1 24 . 1 . 1 7 7 GLY N N 15 110.03 . . . . . . . . 345 G N . 51318 1 25 . 1 . 1 8 8 ARG H H 1 8.25 . . . . . . . . 346 R HN . 51318 1 26 . 1 . 1 8 8 ARG C C 13 176.39 . . . . . . . . 346 R CO . 51318 1 27 . 1 . 1 8 8 ARG CA C 13 55.95 . . . . . . . . 346 R CA . 51318 1 28 . 1 . 1 8 8 ARG CB C 13 30.93 . . . . . . . . 346 R CB . 51318 1 29 . 1 . 1 8 8 ARG N N 15 120.62 . . . . . . . . 346 R N . 51318 1 30 . 1 . 1 9 9 THR H H 1 8.35 . . . . . . . . 347 T HN . 51318 1 31 . 1 . 1 9 9 THR C C 13 172.38 . . . . . . . . 347 T CO . 51318 1 32 . 1 . 1 9 9 THR CA C 13 60.06 . . . . . . . . 347 T CA . 51318 1 33 . 1 . 1 9 9 THR CB C 13 69.75 . . . . . . . . 347 T CB . 51318 1 34 . 1 . 1 9 9 THR N N 15 118.97 . . . . . . . . 347 T N . 51318 1 35 . 1 . 1 12 12 SER H H 1 8.37 . . . . . . . . 350 S HN . 51318 1 36 . 1 . 1 12 12 SER C C 13 174.56 . . . . . . . . 350 S CO . 51318 1 37 . 1 . 1 12 12 SER CA C 13 58.16 . . . . . . . . 350 S CA . 51318 1 38 . 1 . 1 12 12 SER CB C 13 63.74 . . . . . . . . 350 S CB . 51318 1 39 . 1 . 1 12 12 SER N N 15 115.79 . . . . . . . . 350 S N . 51318 1 40 . 1 . 1 13 13 LEU H H 1 8.38 . . . . . . . . 351 L HN . 51318 1 41 . 1 . 1 13 13 LEU C C 13 177.5 . . . . . . . . 351 L CO . 51318 1 42 . 1 . 1 13 13 LEU CA C 13 55.06 . . . . . . . . 351 L CA . 51318 1 43 . 1 . 1 13 13 LEU CB C 13 42.62 . . . . . . . . 351 L CB . 51318 1 44 . 1 . 1 13 13 LEU N N 15 124.39 . . . . . . . . 351 L N . 51318 1 45 . 1 . 1 14 14 GLY H H 1 8.31 . . . . . . . . 352 G HN . 51318 1 46 . 1 . 1 14 14 GLY C C 13 171.87 . . . . . . . . 352 G CO . 51318 1 47 . 1 . 1 14 14 GLY CA C 13 44.52 . . . . . . . . 352 G CA . 51318 1 48 . 1 . 1 14 14 GLY N N 15 109.78 . . . . . . . . 352 G N . 51318 1 49 . 1 . 1 16 16 GLN H H 1 8.62 . . . . . . . . 354 Q HN . 51318 1 50 . 1 . 1 16 16 GLN C C 13 175.72 . . . . . . . . 354 Q CO . 51318 1 51 . 1 . 1 16 16 GLN CA C 13 55.64 . . . . . . . . 354 Q CA . 51318 1 52 . 1 . 1 16 16 GLN CB C 13 29.5 . . . . . . . . 354 Q CB . 51318 1 53 . 1 . 1 16 16 GLN N N 15 120.43 . . . . . . . . 354 Q N . 51318 1 54 . 1 . 1 17 17 ASP H H 1 8.3 . . . . . . . . 355 D HN . 51318 1 55 . 1 . 1 17 17 ASP C C 13 176.53 . . . . . . . . 355 D CO . 51318 1 56 . 1 . 1 17 17 ASP CA C 13 54.37 . . . . . . . . 355 D CA . 51318 1 57 . 1 . 1 17 17 ASP CB C 13 41.41 . . . . . . . . 355 D CB . 51318 1 58 . 1 . 1 17 17 ASP N N 15 121.46 . . . . . . . . 355 D N . 51318 1 59 . 1 . 1 18 18 GLU H H 1 8.55 . . . . . . . . 356 E HN . 51318 1 60 . 1 . 1 18 18 GLU C C 13 176.84 . . . . . . . . 356 E CO . 51318 1 61 . 1 . 1 18 18 GLU CA C 13 56.96 . . . . . . . . 356 E CA . 51318 1 62 . 1 . 1 18 18 GLU CB C 13 30.04 . . . . . . . . 356 E CB . 51318 1 63 . 1 . 1 18 18 GLU N N 15 122.15 . . . . . . . . 356 E N . 51318 1 64 . 1 . 1 19 19 SER H H 1 8.49 . . . . . . . . 357 S HN . 51318 1 65 . 1 . 1 19 19 SER C C 13 174.75 . . . . . . . . 357 S CO . 51318 1 66 . 1 . 1 19 19 SER CA C 13 59.11 . . . . . . . . 357 S CA . 51318 1 67 . 1 . 1 19 19 SER CB C 13 63.75 . . . . . . . . 357 S CB . 51318 1 68 . 1 . 1 19 19 SER N N 15 116.65 . . . . . . . . 357 S N . 51318 1 69 . 1 . 1 20 20 CYS H H 1 8.32 . . . . . . . . 358 C HN . 51318 1 70 . 1 . 1 20 20 CYS C C 13 175.06 . . . . . . . . 358 C CO . 51318 1 71 . 1 . 1 20 20 CYS CA C 13 58.82 . . . . . . . . 358 C CA . 51318 1 72 . 1 . 1 20 20 CYS CB C 13 27.84 . . . . . . . . 358 C CB . 51318 1 73 . 1 . 1 20 20 CYS N N 15 120.86 . . . . . . . . 358 C N . 51318 1 74 . 1 . 1 21 21 THR H H 1 8.29 . . . . . . . . 359 T HN . 51318 1 75 . 1 . 1 21 21 THR C C 13 174.89 . . . . . . . . 359 T CO . 51318 1 76 . 1 . 1 21 21 THR CA C 13 62.19 . . . . . . . . 359 T CA . 51318 1 77 . 1 . 1 21 21 THR CB C 13 69.67 . . . . . . . . 359 T CB . 51318 1 78 . 1 . 1 21 21 THR N N 15 116.48 . . . . . . . . 359 T N . 51318 1 79 . 1 . 1 22 22 THR H H 1 8.18 . . . . . . . . 360 T HN . 51318 1 80 . 1 . 1 22 22 THR C C 13 174.48 . . . . . . . . 360 T CO . 51318 1 81 . 1 . 1 22 22 THR CA C 13 62.03 . . . . . . . . 360 T CA . 51318 1 82 . 1 . 1 22 22 THR CB C 13 69.84 . . . . . . . . 360 T CB . 51318 1 83 . 1 . 1 22 22 THR N N 15 116.56 . . . . . . . . 360 T N . 51318 1 84 . 1 . 1 23 23 ALA H H 1 8.38 . . . . . . . . 361 A HN . 51318 1 85 . 1 . 1 23 23 ALA C C 13 178.01 . . . . . . . . 361 A CO . 51318 1 86 . 1 . 1 23 23 ALA CA C 13 52.82 . . . . . . . . 361 A CA . 51318 1 87 . 1 . 1 23 23 ALA CB C 13 19.16 . . . . . . . . 361 A CB . 51318 1 88 . 1 . 1 23 23 ALA N N 15 126.73 . . . . . . . . 361 A N . 51318 1 89 . 1 . 1 24 24 SER H H 1 8.35 . . . . . . . . 362 S HN . 51318 1 90 . 1 . 1 24 24 SER C C 13 174.99 . . . . . . . . 362 S CO . 51318 1 91 . 1 . 1 24 24 SER CA C 13 58.6 . . . . . . . . 362 S CA . 51318 1 92 . 1 . 1 24 24 SER CB C 13 63.74 . . . . . . . . 362 S CB . 51318 1 93 . 1 . 1 24 24 SER N N 15 115.19 . . . . . . . . 362 S N . 51318 1 94 . 1 . 1 25 25 SER H H 1 8.35 . . . . . . . . 363 S HN . 51318 1 95 . 1 . 1 25 25 SER C C 13 174.8 . . . . . . . . 363 S CO . 51318 1 96 . 1 . 1 25 25 SER CA C 13 59.19 . . . . . . . . 363 S CA . 51318 1 97 . 1 . 1 25 25 SER CB C 13 64.15 . . . . . . . . 363 S CB . 51318 1 98 . 1 . 1 25 25 SER N N 15 117.89 . . . . . . . . 363 S N . 51318 1 99 . 1 . 1 26 26 SER H H 1 8.34 . . . . . . . . 364 S HN . 51318 1 100 . 1 . 1 26 26 SER C C 13 174.49 . . . . . . . . 364 S CO . 51318 1 101 . 1 . 1 26 26 SER CA C 13 59.19 . . . . . . . . 364 S CA . 51318 1 102 . 1 . 1 26 26 SER CB C 13 64.15 . . . . . . . . 364 S CB . 51318 1 103 . 1 . 1 26 26 SER N N 15 117.86 . . . . . . . . 364 S N . 51318 1 104 . 1 . 1 27 27 LEU H H 1 8.14 . . . . . . . . 365 L HN . 51318 1 105 . 1 . 1 27 27 LEU C C 13 177.18 . . . . . . . . 365 L CO . 51318 1 106 . 1 . 1 27 27 LEU CA C 13 55.22 . . . . . . . . 365 L CA . 51318 1 107 . 1 . 1 27 27 LEU CB C 13 42.33 . . . . . . . . 365 L CB . 51318 1 108 . 1 . 1 27 27 LEU N N 15 123.78 . . . . . . . . 365 L N . 51318 1 109 . 1 . 1 28 28 ALA H H 1 8.21 . . . . . . . . 366 A HN . 51318 1 110 . 1 . 1 28 28 ALA C C 13 177.66 . . . . . . . . 366 A CO . 51318 1 111 . 1 . 1 28 28 ALA CA C 13 52.53 . . . . . . . . 366 A CA . 51318 1 112 . 1 . 1 28 28 ALA CB C 13 19.05 . . . . . . . . 366 A CB . 51318 1 113 . 1 . 1 28 28 ALA N N 15 124.86 . . . . . . . . 366 A N . 51318 1 114 . 1 . 1 29 29 LYS H H 1 8.26 . . . . . . . . 367 K HN . 51318 1 115 . 1 . 1 29 29 LYS C C 13 176.34 . . . . . . . . 367 K CO . 51318 1 116 . 1 . 1 29 29 LYS CA C 13 56.24 . . . . . . . . 367 K CA . 51318 1 117 . 1 . 1 29 29 LYS CB C 13 33.14 . . . . . . . . 367 K CB . 51318 1 118 . 1 . 1 29 29 LYS N N 15 120.61 . . . . . . . . 367 K N . 51318 1 119 . 1 . 1 30 30 ASP H H 1 8.42 . . . . . . . . 368 D HN . 51318 1 120 . 1 . 1 30 30 ASP C C 13 176.59 . . . . . . . . 368 D CO . 51318 1 121 . 1 . 1 30 30 ASP CA C 13 54.38 . . . . . . . . 368 D CA . 51318 1 122 . 1 . 1 30 30 ASP CB C 13 41.15 . . . . . . . . 368 D CB . 51318 1 123 . 1 . 1 30 30 ASP N N 15 121.63 . . . . . . . . 368 D N . 51318 1 124 . 1 . 1 31 31 THR H H 1 8.15 . . . . . . . . 369 T HN . 51318 1 125 . 1 . 1 31 31 THR C C 13 174.75 . . . . . . . . 369 T CO . 51318 1 126 . 1 . 1 31 31 THR CA C 13 61.71 . . . . . . . . 369 T CA . 51318 1 127 . 1 . 1 31 31 THR CB C 13 69.69 . . . . . . . . 369 T CB . 51318 1 128 . 1 . 1 31 31 THR N N 15 114.07 . . . . . . . . 369 T N . 51318 1 129 . 1 . 1 32 32 SER H H 1 8.42 . . . . . . . . 370 S HN . 51318 1 130 . 1 . 1 32 32 SER C C 13 173.76 . . . . . . . . 370 S CO . 51318 1 131 . 1 . 1 32 32 SER CA C 13 58.75 . . . . . . . . 370 S CA . 51318 1 132 . 1 . 1 32 32 SER CB C 13 64.07 . . . . . . . . 370 S CB . 51318 1 133 . 1 . 1 32 32 SER N N 15 118.54 . . . . . . . . 370 S N . 51318 1 134 . 1 . 1 33 33 SER H H 1 8 . . . . . . . . 371 S HN . 51318 1 135 . 1 . 1 33 33 SER C C 13 178.66 . . . . . . . . 371 S CO . 51318 1 136 . 1 . 1 33 33 SER CA C 13 60.15 . . . . . . . . 371 S CA . 51318 1 137 . 1 . 1 33 33 SER CB C 13 64.91 . . . . . . . . 371 S CB . 51318 1 138 . 1 . 1 33 33 SER N N 15 123.09 . . . . . . . . 371 S N . 51318 1 stop_ save_