data_51330 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51330 _Entry.Title ; phosphomimetic variant of the C-terminal domain of the vasopressin V2 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-15 _Entry.Accession_date 2022-02-15 _Entry.Last_release_date 2022-02-15 _Entry.Original_release_date 2022-02-15 _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 . . . . 51330 2 Nathalie Sibille . . . . 51330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 91 51330 '15N chemical shifts' 28 51330 '1H chemical shifts' 28 51330 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 . . 2024-08-09 . original BMRB . 51330 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51328 'phosphomimetic variant of the C-terminal domain of the ghrelin receptor type 1a' 51330 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51330 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37669668 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation motif dictates GPCR C-terminal domain conformation and arrestin interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 31 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1394 _Citation.Page_last 1406 _Citation.Year 2023 _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. . . . 51330 1 2 Assia Mouhand A. . . . 51330 1 3 Amin Sagar A. . . . 51330 1 4 Aurelie Fournet A. . . . 51330 1 5 Frederic Allemand F. . . . 51330 1 6 Glaecia Pereira . . . . 51330 1 7 Aurelien Thureau A. . . . 51330 1 8 Pau Bernado P. . . . 51330 1 9 Jean-Louis Baneres J. L. . . 51330 1 10 Nathalie Sibille N. . . . 51330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51330 _Assembly.ID 1 _Assembly.Name 'pm-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 3559 _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 'pm-V2R-Cter GPCR' 1 $entity_1 . . yes native no no . . . 51330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51330 _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 ; GPMAARGREPPELGPQDEEC EEAEEELAKDTSS ; _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 'T347E, S350E, S357E, T359E, T360E, S362E, S363E, S364E' _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 . 51330 1 2 340 PRO . 51330 1 3 341 MET . 51330 1 4 342 ALA . 51330 1 5 343 ALA . 51330 1 6 344 ARG . 51330 1 7 345 GLY . 51330 1 8 346 ARG . 51330 1 9 347 GLU . 51330 1 10 348 PRO . 51330 1 11 349 PRO . 51330 1 12 350 GLU . 51330 1 13 351 LEU . 51330 1 14 352 GLY . 51330 1 15 353 PRO . 51330 1 16 354 GLN . 51330 1 17 355 ASP . 51330 1 18 356 GLU . 51330 1 19 357 GLU . 51330 1 20 358 CYS . 51330 1 21 359 GLU . 51330 1 22 360 GLU . 51330 1 23 361 ALA . 51330 1 24 362 GLU . 51330 1 25 363 GLU . 51330 1 26 364 GLU . 51330 1 27 365 LEU . 51330 1 28 366 ALA . 51330 1 29 367 LYS . 51330 1 30 368 ASP . 51330 1 31 369 THR . 51330 1 32 370 SER . 51330 1 33 371 SER . 51330 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 51330 1 . PRO 2 2 51330 1 . MET 3 3 51330 1 . ALA 4 4 51330 1 . ALA 5 5 51330 1 . ARG 6 6 51330 1 . GLY 7 7 51330 1 . ARG 8 8 51330 1 . GLU 9 9 51330 1 . PRO 10 10 51330 1 . PRO 11 11 51330 1 . GLU 12 12 51330 1 . LEU 13 13 51330 1 . GLY 14 14 51330 1 . PRO 15 15 51330 1 . GLN 16 16 51330 1 . ASP 17 17 51330 1 . GLU 18 18 51330 1 . GLU 19 19 51330 1 . CYS 20 20 51330 1 . GLU 21 21 51330 1 . GLU 22 22 51330 1 . ALA 23 23 51330 1 . GLU 24 24 51330 1 . GLU 25 25 51330 1 . GLU 26 26 51330 1 . LEU 27 27 51330 1 . ALA 28 28 51330 1 . LYS 29 29 51330 1 . ASP 30 30 51330 1 . THR 31 31 51330 1 . SER 32 32 51330 1 . SER 33 33 51330 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 51330 _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 . . . . . . . . . . . . . 51330 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 51330 _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 . . . 51330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51330 _Sample.ID 1 _Sample.Name '13C 15N pm-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 pm-V2R-Cter '[U-13C; U-15N]' . . 1 $entity_1 . . 50 . . uM . . . . 51330 1 2 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 51330 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51330 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51330 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51330 1 6 DSS-d6 [U-2H] . . . . . . 5 . . mM . . . . 51330 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 51330 _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 51330 1 pH 6.7 . pH 51330 1 pressure 1 . atm 51330 1 temperature 293 . K 51330 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51330 _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 collection . 51330 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 51330 _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 51330 _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 . . . . . . . . . . . . . . . . . 51330 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51330 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51330 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51330 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51330 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51330 1 7 '2D HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51330 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 51330 _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 . . . . . 51330 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51330 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51330 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 51330 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name pm-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' . . . 51330 1 2 '3D CBCA(CO)NH' . . . 51330 1 3 '3D HNCO' . . . 51330 1 4 '3D HN(CA)CO' . . . 51330 1 5 '3D HN(CO)CA' . . . 51330 1 6 '3D HNCA' . . . 51330 1 7 '2D HSQC' . . . 51330 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 . . 51330 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 2 2 PRO C C 13 177.039 . . . . . . . . 340 P CO . 51330 1 2 . 1 . 1 2 2 PRO CA C 13 63.128 . . . . . . . . 340 P CA . 51330 1 3 . 1 . 1 2 2 PRO CB C 13 32.366 . . . . . . . . 340 P CB . 51330 1 4 . 1 . 1 3 3 MET H H 1 8.613 . . . . . . . . 341 M HN . 51330 1 5 . 1 . 1 3 3 MET C C 13 176.091 . . . . . . . . 341 M CO . 51330 1 6 . 1 . 1 3 3 MET CA C 13 55.590 . . . . . . . . 341 M CA . 51330 1 7 . 1 . 1 3 3 MET CB C 13 32.957 . . . . . . . . 341 M CB . 51330 1 8 . 1 . 1 3 3 MET N N 15 121.078 . . . . . . . . 341 M N . 51330 1 9 . 1 . 1 4 4 ALA H H 1 8.359 . . . . . . . . 342 A HN . 51330 1 10 . 1 . 1 4 4 ALA C C 13 177.423 . . . . . . . . 342 A CO . 51330 1 11 . 1 . 1 4 4 ALA CA C 13 52.519 . . . . . . . . 342 A CA . 51330 1 12 . 1 . 1 4 4 ALA CB C 13 19.203 . . . . . . . . 342 A CB . 51330 1 13 . 1 . 1 4 4 ALA N N 15 125.754 . . . . . . . . 342 A N . 51330 1 14 . 1 . 1 5 5 ALA H H 1 8.319 . . . . . . . . 343 A HN . 51330 1 15 . 1 . 1 5 5 ALA C C 13 177.754 . . . . . . . . 343 A CO . 51330 1 16 . 1 . 1 5 5 ALA CA C 13 52.523 . . . . . . . . 343 A CA . 51330 1 17 . 1 . 1 5 5 ALA CB C 13 19.168 . . . . . . . . 343 A CB . 51330 1 18 . 1 . 1 5 5 ALA N N 15 123.684 . . . . . . . . 343 A N . 51330 1 19 . 1 . 1 6 6 ARG H H 1 8.348 . . . . . . . . 344 R HN . 51330 1 20 . 1 . 1 6 6 ARG C C 13 176.964 . . . . . . . . 344 R CO . 51330 1 21 . 1 . 1 6 6 ARG CA C 13 56.309 . . . . . . . . 344 R CA . 51330 1 22 . 1 . 1 6 6 ARG CB C 13 30.805 . . . . . . . . 344 R CB . 51330 1 23 . 1 . 1 6 6 ARG N N 15 120.480 . . . . . . . . 344 R N . 51330 1 24 . 1 . 1 7 7 GLY H H 1 8.496 . . . . . . . . 345 G HN . 51330 1 25 . 1 . 1 7 7 GLY C C 13 173.893 . . . . . . . . 345 G CO . 51330 1 26 . 1 . 1 7 7 GLY CA C 13 45.257 . . . . . . . . 345 G CA . 51330 1 27 . 1 . 1 7 7 GLY N N 15 110.410 . . . . . . . . 345 G N . 51330 1 28 . 1 . 1 8 8 ARG H H 1 8.240 . . . . . . . . 346 R HN . 51330 1 29 . 1 . 1 8 8 ARG C C 13 176.228 . . . . . . . . 346 R CO . 51330 1 30 . 1 . 1 8 8 ARG CA C 13 55.809 . . . . . . . . 346 R CA . 51330 1 31 . 1 . 1 8 8 ARG CB C 13 30.903 . . . . . . . . 346 R CB . 51330 1 32 . 1 . 1 8 8 ARG N N 15 120.477 . . . . . . . . 346 R N . 51330 1 33 . 1 . 1 9 9 GLU H H 1 8.555 . . . . . . . . 347 E HN . 51330 1 34 . 1 . 1 9 9 GLU C C 13 174.074 . . . . . . . . 347 E CO . 51330 1 35 . 1 . 1 9 9 GLU CA C 13 54.628 . . . . . . . . 347 E CA . 51330 1 36 . 1 . 1 9 9 GLU CB C 13 29.253 . . . . . . . . 347 E CB . 51330 1 37 . 1 . 1 9 9 GLU N N 15 123.570 . . . . . . . . 347 E N . 51330 1 38 . 1 . 1 11 11 PRO C C 13 176.959 . . . . . . . . 349 P CO . 51330 1 39 . 1 . 1 11 11 PRO CA C 13 63.044 . . . . . . . . 349 P CA . 51330 1 40 . 1 . 1 11 11 PRO CB C 13 32.103 . . . . . . . . 349 P CB . 51330 1 41 . 1 . 1 12 12 GLU H H 1 8.550 . . . . . . . . 350 E HN . 51330 1 42 . 1 . 1 12 12 GLU C C 13 176.473 . . . . . . . . 350 E CO . 51330 1 43 . 1 . 1 12 12 GLU CA C 13 56.726 . . . . . . . . 350 E CA . 51330 1 44 . 1 . 1 12 12 GLU CB C 13 30.069 . . . . . . . . 350 E CB . 51330 1 45 . 1 . 1 12 12 GLU N N 15 120.741 . . . . . . . . 350 E N . 51330 1 46 . 1 . 1 13 13 LEU H H 1 8.292 . . . . . . . . 351 L HN . 51330 1 47 . 1 . 1 13 13 LEU C C 13 177.546 . . . . . . . . 351 L CO . 51330 1 48 . 1 . 1 13 13 LEU CA C 13 55.035 . . . . . . . . 351 L CA . 51330 1 49 . 1 . 1 13 13 LEU CB C 13 42.640 . . . . . . . . 351 L CB . 51330 1 50 . 1 . 1 13 13 LEU N N 15 123.246 . . . . . . . . 351 L N . 51330 1 51 . 1 . 1 14 14 GLY H H 1 8.344 . . . . . . . . 352 G HN . 51330 1 52 . 1 . 1 14 14 GLY C C 13 178.827 . . . . . . . . 352 G CO . 51330 1 53 . 1 . 1 14 14 GLY CA C 13 44.560 . . . . . . . . 352 G CA . 51330 1 54 . 1 . 1 14 14 GLY N N 15 109.928 . . . . . . . . 352 G N . 51330 1 55 . 1 . 1 15 15 PRO C C 13 177.445 . . . . . . . . 353 P CO . 51330 1 56 . 1 . 1 15 15 PRO CA C 13 63.401 . . . . . . . . 353 P CA . 51330 1 57 . 1 . 1 15 15 PRO CB C 13 32.112 . . . . . . . . 353 P CB . 51330 1 58 . 1 . 1 16 16 GLN H H 1 8.651 . . . . . . . . 354 Q HN . 51330 1 59 . 1 . 1 16 16 GLN C C 13 175.794 . . . . . . . . 354 Q CO . 51330 1 60 . 1 . 1 16 16 GLN CA C 13 55.562 . . . . . . . . 354 Q CA . 51330 1 61 . 1 . 1 16 16 GLN CB C 13 29.680 . . . . . . . . 354 Q CB . 51330 1 62 . 1 . 1 16 16 GLN N N 15 120.620 . . . . . . . . 354 Q N . 51330 1 63 . 1 . 1 17 17 ASP H H 1 8.355 . . . . . . . . 355 D HN . 51330 1 64 . 1 . 1 17 17 ASP C C 13 176.201 . . . . . . . . 355 D CO . 51330 1 65 . 1 . 1 17 17 ASP CA C 13 54.610 . . . . . . . . 355 D CA . 51330 1 66 . 1 . 1 17 17 ASP CB C 13 41.377 . . . . . . . . 355 D CB . 51330 1 67 . 1 . 1 17 17 ASP N N 15 121.489 . . . . . . . . 355 D N . 51330 1 68 . 1 . 1 18 18 GLU H H 1 8.394 . . . . . . . . 356 E HN . 51330 1 69 . 1 . 1 18 18 GLU C C 13 176.478 . . . . . . . . 356 E CO . 51330 1 70 . 1 . 1 18 18 GLU CA C 13 56.610 . . . . . . . . 356 E CA . 51330 1 71 . 1 . 1 18 18 GLU CB C 13 30.571 . . . . . . . . 356 E CB . 51330 1 72 . 1 . 1 18 18 GLU N N 15 120.981 . . . . . . . . 356 E N . 51330 1 73 . 1 . 1 19 19 GLU H H 1 8.510 . . . . . . . . 357 E HN . 51330 1 74 . 1 . 1 19 19 GLU C C 13 176.344 . . . . . . . . 357 E CO . 51330 1 75 . 1 . 1 19 19 GLU CA C 13 56.532 . . . . . . . . 357 E CA . 51330 1 76 . 1 . 1 19 19 GLU CB C 13 30.251 . . . . . . . . 357 E CB . 51330 1 77 . 1 . 1 19 19 GLU N N 15 122.135 . . . . . . . . 357 E N . 51330 1 78 . 1 . 1 20 20 CYS H H 1 8.448 . . . . . . . . 358 C HN . 51330 1 79 . 1 . 1 20 20 CYS C C 13 174.484 . . . . . . . . 358 C CO . 51330 1 80 . 1 . 1 20 20 CYS CA C 13 58.366 . . . . . . . . 358 C CA . 51330 1 81 . 1 . 1 20 20 CYS CB C 13 28.337 . . . . . . . . 358 C CB . 51330 1 82 . 1 . 1 20 20 CYS N N 15 120.943 . . . . . . . . 358 C N . 51330 1 83 . 1 . 1 21 21 GLU H H 1 8.626 . . . . . . . . 359 E HN . 51330 1 84 . 1 . 1 21 21 GLU C C 13 176.405 . . . . . . . . 359 E CO . 51330 1 85 . 1 . 1 21 21 GLU CA C 13 56.653 . . . . . . . . 359 E CA . 51330 1 86 . 1 . 1 21 21 GLU CB C 13 30.483 . . . . . . . . 359 E CB . 51330 1 87 . 1 . 1 21 21 GLU N N 15 124.260 . . . . . . . . 359 E N . 51330 1 88 . 1 . 1 22 22 GLU H H 1 8.518 . . . . . . . . 360 E HN . 51330 1 89 . 1 . 1 22 22 GLU C C 13 176.087 . . . . . . . . 360 E CO . 51330 1 90 . 1 . 1 22 22 GLU CA C 13 56.501 . . . . . . . . 360 E CA . 51330 1 91 . 1 . 1 22 22 GLU CB C 13 30.429 . . . . . . . . 360 E CB . 51330 1 92 . 1 . 1 22 22 GLU N N 15 122.790 . . . . . . . . 360 E N . 51330 1 93 . 1 . 1 23 23 ALA H H 1 8.427 . . . . . . . . 361 A HN . 51330 1 94 . 1 . 1 23 23 ALA C C 13 177.776 . . . . . . . . 361 A CO . 51330 1 95 . 1 . 1 23 23 ALA CA C 13 52.373 . . . . . . . . 361 A CA . 51330 1 96 . 1 . 1 23 23 ALA CB C 13 19.509 . . . . . . . . 361 A CB . 51330 1 97 . 1 . 1 23 23 ALA N N 15 125.988 . . . . . . . . 361 A N . 51330 1 98 . 1 . 1 24 24 GLU H H 1 8.472 . . . . . . . . 362 E HN . 51330 1 99 . 1 . 1 24 24 GLU C C 13 176.763 . . . . . . . . 362 E CO . 51330 1 100 . 1 . 1 24 24 GLU CA C 13 56.746 . . . . . . . . 362 E CA . 51330 1 101 . 1 . 1 24 24 GLU CB C 13 30.442 . . . . . . . . 362 E CB . 51330 1 102 . 1 . 1 24 24 GLU N N 15 121.100 . . . . . . . . 362 E N . 51330 1 103 . 1 . 1 25 25 GLU H H 1 8.504 . . . . . . . . 363 E HN . 51330 1 104 . 1 . 1 25 25 GLU C C 13 176.564 . . . . . . . . 363 E CO . 51330 1 105 . 1 . 1 25 25 GLU CA C 13 56.792 . . . . . . . . 363 E CA . 51330 1 106 . 1 . 1 25 25 GLU CB C 13 30.477 . . . . . . . . 363 E CB . 51330 1 107 . 1 . 1 25 25 GLU N N 15 122.411 . . . . . . . . 363 E N . 51330 1 108 . 1 . 1 26 26 GLU H H 1 8.479 . . . . . . . . 364 E HN . 51330 1 109 . 1 . 1 26 26 GLU C C 13 176.548 . . . . . . . . 364 E CO . 51330 1 110 . 1 . 1 26 26 GLU CA C 13 56.694 . . . . . . . . 364 E CA . 51330 1 111 . 1 . 1 26 26 GLU CB C 13 30.263 . . . . . . . . 364 E CB . 51330 1 112 . 1 . 1 26 26 GLU N N 15 122.686 . . . . . . . . 364 E N . 51330 1 113 . 1 . 1 27 27 LEU H H 1 8.258 . . . . . . . . 365 L HN . 51330 1 114 . 1 . 1 27 27 LEU C C 13 177.282 . . . . . . . . 365 L CO . 51330 1 115 . 1 . 1 27 27 LEU CA C 13 55.207 . . . . . . . . 365 L CA . 51330 1 116 . 1 . 1 27 27 LEU CB C 13 42.411 . . . . . . . . 365 L CB . 51330 1 117 . 1 . 1 27 27 LEU N N 15 123.748 . . . . . . . . 365 L N . 51330 1 118 . 1 . 1 28 28 ALA H H 1 8.300 . . . . . . . . 366 A HN . 51330 1 119 . 1 . 1 28 28 ALA C C 13 177.725 . . . . . . . . 366 A CO . 51330 1 120 . 1 . 1 28 28 ALA CA C 13 52.511 . . . . . . . . 366 A CA . 51330 1 121 . 1 . 1 28 28 ALA CB C 13 18.953 . . . . . . . . 366 A CB . 51330 1 122 . 1 . 1 28 28 ALA N N 15 124.990 . . . . . . . . 366 A N . 51330 1 123 . 1 . 1 29 29 LYS H H 1 8.243 . . . . . . . . 367 K HN . 51330 1 124 . 1 . 1 29 29 LYS C C 13 176.432 . . . . . . . . 367 K CO . 51330 1 125 . 1 . 1 29 29 LYS CA C 13 56.272 . . . . . . . . 367 K CA . 51330 1 126 . 1 . 1 29 29 LYS CB C 13 33.309 . . . . . . . . 367 K CB . 51330 1 127 . 1 . 1 29 29 LYS N N 15 120.903 . . . . . . . . 367 K N . 51330 1 128 . 1 . 1 30 30 ASP H H 1 8.446 . . . . . . . . 368 D HN . 51330 1 129 . 1 . 1 30 30 ASP C C 13 176.647 . . . . . . . . 368 D CO . 51330 1 130 . 1 . 1 30 30 ASP CA C 13 54.352 . . . . . . . . 368 D CA . 51330 1 131 . 1 . 1 30 30 ASP CB C 13 41.166 . . . . . . . . 368 D CB . 51330 1 132 . 1 . 1 30 30 ASP N N 15 121.627 . . . . . . . . 368 D N . 51330 1 133 . 1 . 1 31 31 THR H H 1 8.195 . . . . . . . . 369 T HN . 51330 1 134 . 1 . 1 31 31 THR C C 13 174.820 . . . . . . . . 369 T CO . 51330 1 135 . 1 . 1 31 31 THR CA C 13 61.729 . . . . . . . . 369 T CA . 51330 1 136 . 1 . 1 31 31 THR CB C 13 69.652 . . . . . . . . 369 T CB . 51330 1 137 . 1 . 1 31 31 THR N N 15 114.389 . . . . . . . . 369 T N . 51330 1 138 . 1 . 1 32 32 SER H H 1 8.435 . . . . . . . . 370 S HN . 51330 1 139 . 1 . 1 32 32 SER C C 13 173.793 . . . . . . . . 370 S CO . 51330 1 140 . 1 . 1 32 32 SER CA C 13 58.723 . . . . . . . . 370 S CA . 51330 1 141 . 1 . 1 32 32 SER CB C 13 64.066 . . . . . . . . 370 S CB . 51330 1 142 . 1 . 1 32 32 SER N N 15 118.702 . . . . . . . . 370 S N . 51330 1 143 . 1 . 1 33 33 SER H H 1 8.012 . . . . . . . . 371 S HN . 51330 1 144 . 1 . 1 33 33 SER C C 13 178.689 . . . . . . . . 371 S CO . 51330 1 145 . 1 . 1 33 33 SER CA C 13 60.117 . . . . . . . . 371 S CA . 51330 1 146 . 1 . 1 33 33 SER CB C 13 64.868 . . . . . . . . 371 S CB . 51330 1 147 . 1 . 1 33 33 SER N N 15 123.223 . . . . . . . . 371 S N . 51330 1 stop_ save_