data_51328 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51328 _Entry.Title ; phosphomimetic variant of the C-terminal domain of the ghrelin receptor type 1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-14 _Entry.Accession_date 2022-02-14 _Entry.Last_release_date 2022-02-14 _Entry.Original_release_date 2022-02-14 _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 . . . . 51328 2 Nathalie Sibille . . . . 51328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 92 51328 '15N chemical shifts' 29 51328 '1H chemical shifts' 29 51328 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 . 51328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51330 'phosphomimetic variant of the C-terminal domain of the vasopressin V2 receptor' 51328 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51328 _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. . . . 51328 1 2 Assia Mouhand A. . . . 51328 1 3 Amin Sagar A. . . . 51328 1 4 Aurelie Fournet A. . . . 51328 1 5 Frederic Allemand F. . . . 51328 1 6 Glaecia Pereira . . . . 51328 1 7 Aurelien Thureau A. . . . 51328 1 8 Pau Bernado P. . . . 51328 1 9 Jean-Louis Baneres J. L. . . 51328 1 10 Nathalie Sibille N. . . . 51328 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GPCR, arrestin, IDR, IDP, NMR, GRK' 51328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51328 _Assembly.ID 1 _Assembly.Name 'pm-GHSR-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 3741 _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-GHSR-Cter GPCR' 1 $entity_1 . . yes native no no . . . 51328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51328 _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 ; GPMAGFEPFSQRKLEELKDE SSRAWTEEEINE ; _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 32 _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 'S349E, T350E, S362E, S363E, T366E' _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 1 335 GLY . 51328 1 2 336 PRO . 51328 1 3 337 MET . 51328 1 4 338 ALA . 51328 1 5 339 GLY . 51328 1 6 340 PHE . 51328 1 7 341 GLU . 51328 1 8 342 PRO . 51328 1 9 343 PHE . 51328 1 10 344 SER . 51328 1 11 345 GLN . 51328 1 12 346 ARG . 51328 1 13 347 LYS . 51328 1 14 348 LEU . 51328 1 15 349 GLU . 51328 1 16 350 GLU . 51328 1 17 351 LEU . 51328 1 18 352 LYS . 51328 1 19 353 ASP . 51328 1 20 354 GLU . 51328 1 21 355 SER . 51328 1 22 356 SER . 51328 1 23 357 ARG . 51328 1 24 358 ALA . 51328 1 25 359 TRP . 51328 1 26 360 THR . 51328 1 27 361 GLU . 51328 1 28 362 GLU . 51328 1 29 363 GLU . 51328 1 30 364 ILE . 51328 1 31 365 ASN . 51328 1 32 366 GLU . 51328 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 51328 1 . PRO 2 2 51328 1 . MET 3 3 51328 1 . ALA 4 4 51328 1 . GLY 5 5 51328 1 . PHE 6 6 51328 1 . GLU 7 7 51328 1 . PRO 8 8 51328 1 . PHE 9 9 51328 1 . SER 10 10 51328 1 . GLN 11 11 51328 1 . ARG 12 12 51328 1 . LYS 13 13 51328 1 . LEU 14 14 51328 1 . GLU 15 15 51328 1 . GLU 16 16 51328 1 . LEU 17 17 51328 1 . LYS 18 18 51328 1 . ASP 19 19 51328 1 . GLU 20 20 51328 1 . SER 21 21 51328 1 . SER 22 22 51328 1 . ARG 23 23 51328 1 . ALA 24 24 51328 1 . TRP 25 25 51328 1 . THR 26 26 51328 1 . GLU 27 27 51328 1 . GLU 28 28 51328 1 . GLU 29 29 51328 1 . ILE 30 30 51328 1 . ASN 31 31 51328 1 . GLU 32 32 51328 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 51328 _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 . . . . . . . . . . . . . 51328 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 51328 _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 . . . 51328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51328 _Sample.ID 1 _Sample.Name '13C 15N pm-GHSR-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-GHSR-Cter '[U-13C; U-15N]' . . 1 $entity_1 . . 377 . . uM . . . . 51328 1 2 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 51328 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51328 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51328 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51328 1 6 DSS-d6 [U-2H] . . . . . . 5 . . mM . . . . 51328 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 51328 _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 51328 1 pH 6.7 . pH 51328 1 pressure 1 . atm 51328 1 temperature 293 . K 51328 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51328 _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 . 51328 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 51328 _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 51328 _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 . . . . . . . . . . . . . . . . . 51328 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51328 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51328 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51328 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51328 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51328 1 7 '2D HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51328 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 51328 _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 . . . . . 51328 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51328 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51328 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 51328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name pm-GHSR-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' . . . 51328 1 2 '3D CBCA(CO)NH' . . . 51328 1 3 '3D HNCO' . . . 51328 1 4 '3D HN(CA)CO' . . . 51328 1 5 '3D HN(CO)CA' . . . 51328 1 6 '3D HNCA' . . . 51328 1 7 '2D HSQC' . . . 51328 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 . . 51328 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 13 176.966 . . . . . . . . 336 P CO . 51328 1 2 . 1 . 1 2 2 PRO CA C 13 63.102 . . . . . . . . 336 P CA . 51328 1 3 . 1 . 1 2 2 PRO CB C 13 32.383 . . . . . . . . 336 P CB . 51328 1 4 . 1 . 1 3 3 MET H H 1 8.594 . . . . . . . . 337 M HN . 51328 1 5 . 1 . 1 3 3 MET C C 13 175.941 . . . . . . . . 337 M CO . 51328 1 6 . 1 . 1 3 3 MET CA C 13 55.407 . . . . . . . . 337 M CA . 51328 1 7 . 1 . 1 3 3 MET CB C 13 32.972 . . . . . . . . 337 M CB . 51328 1 8 . 1 . 1 3 3 MET N N 15 121.070 . . . . . . . . 337 M N . 51328 1 9 . 1 . 1 4 4 ALA H H 1 8.378 . . . . . . . . 338 A HN . 51328 1 10 . 1 . 1 4 4 ALA C C 13 178.074 . . . . . . . . 338 A CO . 51328 1 11 . 1 . 1 4 4 ALA CA C 13 52.831 . . . . . . . . 338 A CA . 51328 1 12 . 1 . 1 4 4 ALA CB C 13 19.157 . . . . . . . . 338 A CB . 51328 1 13 . 1 . 1 4 4 ALA N N 15 125.778 . . . . . . . . 338 A N . 51328 1 14 . 1 . 1 5 5 GLY H H 1 8.431 . . . . . . . . 339 G HN . 51328 1 15 . 1 . 1 5 5 GLY C C 13 173.714 . . . . . . . . 339 G CO . 51328 1 16 . 1 . 1 5 5 GLY CA C 13 45.108 . . . . . . . . 339 G CA . 51328 1 17 . 1 . 1 5 5 GLY N N 15 108.662 . . . . . . . . 339 G N . 51328 1 18 . 1 . 1 6 6 PHE H H 1 8.059 . . . . . . . . 340 F HN . 51328 1 19 . 1 . 1 6 6 PHE C C 13 175.322 . . . . . . . . 340 F CO . 51328 1 20 . 1 . 1 6 6 PHE CA C 13 57.550 . . . . . . . . 340 F CA . 51328 1 21 . 1 . 1 6 6 PHE CB C 13 39.854 . . . . . . . . 340 F CB . 51328 1 22 . 1 . 1 6 6 PHE N N 15 119.779 . . . . . . . . 340 F N . 51328 1 23 . 1 . 1 7 7 GLU H H 1 8.393 . . . . . . . . 341 E HN . 51328 1 24 . 1 . 1 7 7 GLU C C 13 174.296 . . . . . . . . 341 E CO . 51328 1 25 . 1 . 1 7 7 GLU CA C 13 54.254 . . . . . . . . 341 E CA . 51328 1 26 . 1 . 1 7 7 GLU CB C 13 29.807 . . . . . . . . 341 E CB . 51328 1 27 . 1 . 1 7 7 GLU N N 15 124.681 . . . . . . . . 341 E N . 51328 1 28 . 1 . 1 8 8 PRO C C 13 176.931 . . . . . . . . 342 P CO . 51328 1 29 . 1 . 1 8 8 PRO CA C 13 63.455 . . . . . . . . 342 P CA . 51328 1 30 . 1 . 1 8 8 PRO CB C 13 31.905 . . . . . . . . 342 P CB . 51328 1 31 . 1 . 1 9 9 PHE H H 1 8.312 . . . . . . . . 343 F HN . 51328 1 32 . 1 . 1 9 9 PHE C C 13 176.097 . . . . . . . . 343 F CO . 51328 1 33 . 1 . 1 9 9 PHE CA C 13 58.140 . . . . . . . . 343 F CA . 51328 1 34 . 1 . 1 9 9 PHE CB C 13 39.002 . . . . . . . . 343 F CB . 51328 1 35 . 1 . 1 9 9 PHE N N 15 119.605 . . . . . . . . 343 F N . 51328 1 36 . 1 . 1 10 10 SER H H 1 8.091 . . . . . . . . 344 S HN . 51328 1 37 . 1 . 1 10 10 SER C C 13 174.472 . . . . . . . . 344 S CO . 51328 1 38 . 1 . 1 10 10 SER CA C 13 58.420 . . . . . . . . 344 S CA . 51328 1 39 . 1 . 1 10 10 SER CB C 13 63.853 . . . . . . . . 344 S CB . 51328 1 40 . 1 . 1 10 10 SER N N 15 116.873 . . . . . . . . 344 S N . 51328 1 41 . 1 . 1 11 11 GLN H H 1 8.344 . . . . . . . . 345 Q HN . 51328 1 42 . 1 . 1 11 11 GLN C C 13 176.153 . . . . . . . . 345 Q CO . 51328 1 43 . 1 . 1 11 11 GLN CA C 13 56.319 . . . . . . . . 345 Q CA . 51328 1 44 . 1 . 1 11 11 GLN CB C 13 29.208 . . . . . . . . 345 Q CB . 51328 1 45 . 1 . 1 11 11 GLN N N 15 122.210 . . . . . . . . 345 Q N . 51328 1 46 . 1 . 1 12 12 ARG H H 1 8.205 . . . . . . . . 346 R HN . 51328 1 47 . 1 . 1 12 12 ARG C C 13 176.486 . . . . . . . . 346 R CO . 51328 1 48 . 1 . 1 12 12 ARG CA C 13 56.545 . . . . . . . . 346 R CA . 51328 1 49 . 1 . 1 12 12 ARG CB C 13 30.679 . . . . . . . . 346 R CB . 51328 1 50 . 1 . 1 12 12 ARG N N 15 121.775 . . . . . . . . 346 R N . 51328 1 51 . 1 . 1 13 13 LYS H H 1 8.331 . . . . . . . . 347 K HN . 51328 1 52 . 1 . 1 13 13 LYS C C 13 176.930 . . . . . . . . 347 K CO . 51328 1 53 . 1 . 1 13 13 LYS CA C 13 56.606 . . . . . . . . 347 K CA . 51328 1 54 . 1 . 1 13 13 LYS CB C 13 32.749 . . . . . . . . 347 K CB . 51328 1 55 . 1 . 1 13 13 LYS N N 15 122.706 . . . . . . . . 347 K N . 51328 1 56 . 1 . 1 14 14 LEU H H 1 8.274 . . . . . . . . 348 L HN . 51328 1 57 . 1 . 1 14 14 LEU C C 13 177.959 . . . . . . . . 348 L CO . 51328 1 58 . 1 . 1 14 14 LEU CA C 13 55.959 . . . . . . . . 348 L CA . 51328 1 59 . 1 . 1 14 14 LEU CB C 13 42.070 . . . . . . . . 348 L CB . 51328 1 60 . 1 . 1 14 14 LEU N N 15 123.389 . . . . . . . . 348 L N . 51328 1 61 . 1 . 1 15 15 GLU H H 1 8.421 . . . . . . . . 349 E HN . 51328 1 62 . 1 . 1 15 15 GLU C C 13 176.772 . . . . . . . . 349 E CO . 51328 1 63 . 1 . 1 15 15 GLU CA C 13 57.071 . . . . . . . . 349 E CA . 51328 1 64 . 1 . 1 15 15 GLU CB C 13 30.093 . . . . . . . . 349 E CB . 51328 1 65 . 1 . 1 15 15 GLU N N 15 120.879 . . . . . . . . 349 E N . 51328 1 66 . 1 . 1 16 16 GLU H H 1 8.274 . . . . . . . . 350 E HN . 51328 1 67 . 1 . 1 16 16 GLU C C 13 176.626 . . . . . . . . 350 E CO . 51328 1 68 . 1 . 1 16 16 GLU CA C 13 56.815 . . . . . . . . 350 E CA . 51328 1 69 . 1 . 1 16 16 GLU CB C 13 30.289 . . . . . . . . 350 E CB . 51328 1 70 . 1 . 1 16 16 GLU N N 15 121.326 . . . . . . . . 350 E N . 51328 1 71 . 1 . 1 17 17 LEU H H 1 8.193 . . . . . . . . 351 L HN . 51328 1 72 . 1 . 1 17 17 LEU C C 13 177.477 . . . . . . . . 351 L CO . 51328 1 73 . 1 . 1 17 17 LEU CA C 13 55.310 . . . . . . . . 351 L CA . 51328 1 74 . 1 . 1 17 17 LEU CB C 13 42.128 . . . . . . . . 351 L CB . 51328 1 75 . 1 . 1 17 17 LEU N N 15 122.941 . . . . . . . . 351 L N . 51328 1 76 . 1 . 1 18 18 LYS H H 1 8.242 . . . . . . . . 352 K HN . 51328 1 77 . 1 . 1 18 18 LYS C C 13 176.344 . . . . . . . . 352 K CO . 51328 1 78 . 1 . 1 18 18 LYS CA C 13 56.459 . . . . . . . . 352 K CA . 51328 1 79 . 1 . 1 18 18 LYS CB C 13 33.069 . . . . . . . . 352 K CB . 51328 1 80 . 1 . 1 18 18 LYS N N 15 122.206 . . . . . . . . 352 K N . 51328 1 81 . 1 . 1 19 19 ASP H H 1 8.327 . . . . . . . . 353 D HN . 51328 1 82 . 1 . 1 19 19 ASP C C 13 176.713 . . . . . . . . 353 D CO . 51328 1 83 . 1 . 1 19 19 ASP CA C 13 54.325 . . . . . . . . 353 D CA . 51328 1 84 . 1 . 1 19 19 ASP CB C 13 41.252 . . . . . . . . 353 D CB . 51328 1 85 . 1 . 1 19 19 ASP N N 15 121.504 . . . . . . . . 353 D N . 51328 1 86 . 1 . 1 20 20 GLU H H 1 8.581 . . . . . . . . 354 E HN . 51328 1 87 . 1 . 1 20 20 GLU C C 13 177.201 . . . . . . . . 354 E CO . 51328 1 88 . 1 . 1 20 20 GLU CA C 13 57.245 . . . . . . . . 354 E CA . 51328 1 89 . 1 . 1 20 20 GLU CB C 13 29.921 . . . . . . . . 354 E CB . 51328 1 90 . 1 . 1 20 20 GLU N N 15 122.361 . . . . . . . . 354 E N . 51328 1 91 . 1 . 1 21 21 SER H H 1 8.435 . . . . . . . . 355 S HN . 51328 1 92 . 1 . 1 21 21 SER C C 13 175.033 . . . . . . . . 355 S CO . 51328 1 93 . 1 . 1 21 21 SER CA C 13 59.427 . . . . . . . . 355 S CA . 51328 1 94 . 1 . 1 21 21 SER CB C 13 63.681 . . . . . . . . 355 S CB . 51328 1 95 . 1 . 1 21 21 SER N N 15 116.354 . . . . . . . . 355 S N . 51328 1 96 . 1 . 1 22 22 SER H H 1 8.183 . . . . . . . . 356 S HN . 51328 1 97 . 1 . 1 22 22 SER C C 13 174.531 . . . . . . . . 356 S CO . 51328 1 98 . 1 . 1 22 22 SER CA C 13 58.654 . . . . . . . . 356 S CA . 51328 1 99 . 1 . 1 22 22 SER CB C 13 63.634 . . . . . . . . 356 S CB . 51328 1 100 . 1 . 1 22 22 SER N N 15 117.346 . . . . . . . . 356 S N . 51328 1 101 . 1 . 1 23 23 ARG H H 1 8.107 . . . . . . . . 357 R HN . 51328 1 102 . 1 . 1 23 23 ARG C C 13 175.878 . . . . . . . . 357 R CO . 51328 1 103 . 1 . 1 23 23 ARG CA C 13 56.152 . . . . . . . . 357 R CA . 51328 1 104 . 1 . 1 23 23 ARG CB C 13 30.732 . . . . . . . . 357 R CB . 51328 1 105 . 1 . 1 23 23 ARG N N 15 122.775 . . . . . . . . 357 R N . 51328 1 106 . 1 . 1 24 24 ALA H H 1 8.243 . . . . . . . . 358 A HN . 51328 1 107 . 1 . 1 24 24 ALA C C 13 177.433 . . . . . . . . 358 A CO . 51328 1 108 . 1 . 1 24 24 ALA CA C 13 52.431 . . . . . . . . 358 A CA . 51328 1 109 . 1 . 1 24 24 ALA CB C 13 19.105 . . . . . . . . 358 A CB . 51328 1 110 . 1 . 1 24 24 ALA N N 15 125.090 . . . . . . . . 358 A N . 51328 1 111 . 1 . 1 25 25 TRP H H 1 8.135 . . . . . . . . 359 W HN . 51328 1 112 . 1 . 1 25 25 TRP C C 13 176.305 . . . . . . . . 359 W CO . 51328 1 113 . 1 . 1 25 25 TRP CA C 13 57.459 . . . . . . . . 359 W CA . 51328 1 114 . 1 . 1 25 25 TRP CB C 13 29.692 . . . . . . . . 359 W CB . 51328 1 115 . 1 . 1 25 25 TRP N N 15 120.760 . . . . . . . . 359 W N . 51328 1 116 . 1 . 1 26 26 THR H H 1 7.852 . . . . . . . . 360 T HN . 51328 1 117 . 1 . 1 26 26 THR C C 13 173.937 . . . . . . . . 360 T CO . 51328 1 118 . 1 . 1 26 26 THR CA C 13 61.361 . . . . . . . . 360 T CA . 51328 1 119 . 1 . 1 26 26 THR CB C 13 70.213 . . . . . . . . 360 T CB . 51328 1 120 . 1 . 1 26 26 THR N N 15 115.715 . . . . . . . . 360 T N . 51328 1 121 . 1 . 1 27 27 GLU H H 1 8.261 . . . . . . . . 361 E HN . 51328 1 122 . 1 . 1 27 27 GLU C C 13 176.453 . . . . . . . . 361 E CO . 51328 1 123 . 1 . 1 27 27 GLU CA C 13 56.787 . . . . . . . . 361 E CA . 51328 1 124 . 1 . 1 27 27 GLU CB C 13 30.200 . . . . . . . . 361 E CB . 51328 1 125 . 1 . 1 27 27 GLU N N 15 122.539 . . . . . . . . 361 E N . 51328 1 126 . 1 . 1 28 28 GLU H H 1 8.334 . . . . . . . . 362 E HN . 51328 1 127 . 1 . 1 28 28 GLU C C 13 176.395 . . . . . . . . 362 E CO . 51328 1 128 . 1 . 1 28 28 GLU CA C 13 56.681 . . . . . . . . 362 E CA . 51328 1 129 . 1 . 1 28 28 GLU CB C 13 30.407 . . . . . . . . 362 E CB . 51328 1 130 . 1 . 1 28 28 GLU N N 15 121.447 . . . . . . . . 362 E N . 51328 1 131 . 1 . 1 29 29 GLU H H 1 8.358 . . . . . . . . 363 E HN . 51328 1 132 . 1 . 1 29 29 GLU C C 13 176.195 . . . . . . . . 363 E CO . 51328 1 133 . 1 . 1 29 29 GLU CA C 13 56.522 . . . . . . . . 363 E CA . 51328 1 134 . 1 . 1 29 29 GLU CB C 13 30.429 . . . . . . . . 363 E CB . 51328 1 135 . 1 . 1 29 29 GLU N N 15 122.327 . . . . . . . . 363 E N . 51328 1 136 . 1 . 1 30 30 ILE H H 1 8.235 . . . . . . . . 364 I HN . 51328 1 137 . 1 . 1 30 30 ILE C C 13 175.818 . . . . . . . . 364 I CO . 51328 1 138 . 1 . 1 30 30 ILE CA C 13 61.090 . . . . . . . . 364 I CA . 51328 1 139 . 1 . 1 30 30 ILE CB C 13 38.784 . . . . . . . . 364 I CB . 51328 1 140 . 1 . 1 30 30 ILE N N 15 122.473 . . . . . . . . 364 I N . 51328 1 141 . 1 . 1 31 31 ASN H H 1 8.550 . . . . . . . . 365 N HN . 51328 1 142 . 1 . 1 31 31 ASN C C 13 173.968 . . . . . . . . 365 N CO . 51328 1 143 . 1 . 1 31 31 ASN CA C 13 53.189 . . . . . . . . 365 N CA . 51328 1 144 . 1 . 1 31 31 ASN CB C 13 39.587 . . . . . . . . 365 N CB . 51328 1 145 . 1 . 1 31 31 ASN N N 15 124.073 . . . . . . . . 365 N N . 51328 1 146 . 1 . 1 32 32 GLU H H 1 7.989 . . . . . . . . 366 E HN . 51328 1 147 . 1 . 1 32 32 GLU C C 13 176.294 . . . . . . . . 366 E CO . 51328 1 148 . 1 . 1 32 32 GLU CA C 13 58.081 . . . . . . . . 366 E CA . 51328 1 149 . 1 . 1 32 32 GLU CB C 13 31.234 . . . . . . . . 366 E CB . 51328 1 150 . 1 . 1 32 32 GLU N N 15 126.737 . . . . . . . . 366 E N . 51328 1 stop_ save_