data_51656 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51656 _Entry.Title ; The 1H, 15N chemical shifts of carboxyl terminus of A Family A G protein coupled receptor with Gs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-06 _Entry.Accession_date 2022-10-06 _Entry.Last_release_date 2022-10-06 _Entry.Original_release_date 2022-10-06 _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 Jie Heng . . . . 51656 2 Yujie Yang . . . . 51656 3 Xiaogang Niu . . . . 51656 4 Changwen Jin . . . . 51656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 50 51656 '1H chemical shifts' 50 51656 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 . . 2023-06-23 . original BMRB . 51656 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51648 'carboxyl terminus of A Family A G protein coupled receptor with MBP' 51656 BMRB 51653 'carboxyl terminus of A Family A G protein coupled receptor' 51656 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51656 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37037825 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Function and dynamics of the intrinsically disordered carboxyl terminus of b2 adrenergic receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 2005 _Citation.Page_last 2005 _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 Jie Heng J. . . . 51656 1 2 Yunfei Hu Y. . . . 51656 1 3 Guillermo Perez-Hernandez G. . . . 51656 1 4 Asuka Inoue A. . . . 51656 1 5 Jiawei Zhao J. . . . 51656 1 6 Xiuyan Ma X. . . . 51656 1 7 Xiaoou Sun X. . . . 51656 1 8 Kouki Kawakami K. . . . 51656 1 9 Tatsuya Ikuta T. . . . 51656 1 10 Jienv Ding J. . . . 51656 1 11 Yujie Yang Y. . . . 51656 1 12 Lujia Zhang L. . . . 51656 1 13 Sijia Peng S. . . . 51656 1 14 Xiaogang Niu X. . . . 51656 1 15 Hongwei Li H. . . . 51656 1 16 Ramon Guixa-Gonzalez R. . . . 51656 1 17 Changwen Jin C. . . . 51656 1 18 Peter Hildebrand P. W. . . 51656 1 19 Chunlai Chen C. . . . 51656 1 20 Brian Kobilka B. K. . . 51656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51656 _Assembly.ID 1 _Assembly.Name B2AR_Cter_Gs _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _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 'GS is a Hetero 5-mer - A1B1C1D1E1.' _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 B2AR_Cter 1 $entity_1 . . yes native no no . . . 51656 1 2 Gs 2 $entity_2 . . no native no no . . . 51656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51656 _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 ; LKAYGNGYSSNGNTGEQSGY HVEQEKENKLLAEDLPGTED FVGHQGTVPSDNIDSQGRNA STNDSLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 1 347 LEU . 51656 1 2 348 LYS . 51656 1 3 349 ALA . 51656 1 4 350 TYR . 51656 1 5 351 GLY . 51656 1 6 352 ASN . 51656 1 7 353 GLY . 51656 1 8 354 TYR . 51656 1 9 355 SER . 51656 1 10 356 SER . 51656 1 11 357 ASN . 51656 1 12 358 GLY . 51656 1 13 359 ASN . 51656 1 14 360 THR . 51656 1 15 361 GLY . 51656 1 16 362 GLU . 51656 1 17 363 GLN . 51656 1 18 364 SER . 51656 1 19 365 GLY . 51656 1 20 366 TYR . 51656 1 21 367 HIS . 51656 1 22 368 VAL . 51656 1 23 369 GLU . 51656 1 24 370 GLN . 51656 1 25 371 GLU . 51656 1 26 372 LYS . 51656 1 27 373 GLU . 51656 1 28 374 ASN . 51656 1 29 375 LYS . 51656 1 30 376 LEU . 51656 1 31 377 LEU . 51656 1 32 378 ALA . 51656 1 33 379 GLU . 51656 1 34 380 ASP . 51656 1 35 381 LEU . 51656 1 36 382 PRO . 51656 1 37 383 GLY . 51656 1 38 384 THR . 51656 1 39 385 GLU . 51656 1 40 386 ASP . 51656 1 41 387 PHE . 51656 1 42 388 VAL . 51656 1 43 389 GLY . 51656 1 44 390 HIS . 51656 1 45 391 GLN . 51656 1 46 392 GLY . 51656 1 47 393 THR . 51656 1 48 394 VAL . 51656 1 49 395 PRO . 51656 1 50 396 SER . 51656 1 51 397 ASP . 51656 1 52 398 ASN . 51656 1 53 399 ILE . 51656 1 54 400 ASP . 51656 1 55 401 SER . 51656 1 56 402 GLN . 51656 1 57 403 GLY . 51656 1 58 404 ARG . 51656 1 59 405 ASN . 51656 1 60 406 ALA . 51656 1 61 407 SER . 51656 1 62 408 THR . 51656 1 63 409 ASN . 51656 1 64 410 ASP . 51656 1 65 411 SER . 51656 1 66 412 LEU . 51656 1 67 413 LEU . 51656 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 . LEU 1 1 51656 1 . LYS 2 2 51656 1 . ALA 3 3 51656 1 . TYR 4 4 51656 1 . GLY 5 5 51656 1 . ASN 6 6 51656 1 . GLY 7 7 51656 1 . TYR 8 8 51656 1 . SER 9 9 51656 1 . SER 10 10 51656 1 . ASN 11 11 51656 1 . GLY 12 12 51656 1 . ASN 13 13 51656 1 . THR 14 14 51656 1 . GLY 15 15 51656 1 . GLU 16 16 51656 1 . GLN 17 17 51656 1 . SER 18 18 51656 1 . GLY 19 19 51656 1 . TYR 20 20 51656 1 . HIS 21 21 51656 1 . VAL 22 22 51656 1 . GLU 23 23 51656 1 . GLN 24 24 51656 1 . GLU 25 25 51656 1 . LYS 26 26 51656 1 . GLU 27 27 51656 1 . ASN 28 28 51656 1 . LYS 29 29 51656 1 . LEU 30 30 51656 1 . LEU 31 31 51656 1 . ALA 32 32 51656 1 . GLU 33 33 51656 1 . ASP 34 34 51656 1 . LEU 35 35 51656 1 . PRO 36 36 51656 1 . GLY 37 37 51656 1 . THR 38 38 51656 1 . GLU 39 39 51656 1 . ASP 40 40 51656 1 . PHE 41 41 51656 1 . VAL 42 42 51656 1 . GLY 43 43 51656 1 . HIS 44 44 51656 1 . GLN 45 45 51656 1 . GLY 46 46 51656 1 . THR 47 47 51656 1 . VAL 48 48 51656 1 . PRO 49 49 51656 1 . SER 50 50 51656 1 . ASP 51 51 51656 1 . ASN 52 52 51656 1 . ILE 53 53 51656 1 . ASP 54 54 51656 1 . SER 55 55 51656 1 . GLN 56 56 51656 1 . GLY 57 57 51656 1 . ARG 58 58 51656 1 . ASN 59 59 51656 1 . ALA 60 60 51656 1 . SER 61 61 51656 1 . THR 62 62 51656 1 . ASN 63 63 51656 1 . ASP 64 64 51656 1 . SER 65 65 51656 1 . LEU 66 66 51656 1 . LEU 67 67 51656 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51656 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 51656 _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 . . . . . . . . . . . . . 51656 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 51656 _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 . . 'PGEX 6p-1' . . . 51656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51656 _Sample.ID 1 _Sample.Name B2AR_Cter_Gs _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 B2AR_Cter '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51656 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 51656 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR condition' _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' 0.1 . M 51656 1 pH 7.2 . pH 51656 1 pressure 1 . atm 51656 1 temperature 273 . K 51656 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51656 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51656 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 51656 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Advance 700' _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 51656 _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 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51656 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' ser . 'Time-domain (raw spectral data)' . . 51656 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 51656 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name B2AR_Cter_Gs _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51656 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 51656 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 51656 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name B2AR_Cter_Gs _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 '2D 1H-15N HSQC' . . . 51656 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 . . 51656 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 ALA H H 1 8.117 . . . . . . . . 349 A HN . 51656 1 2 . 1 . 1 3 3 ALA N N 15 124.589 . . . . . . . . 349 A N . 51656 1 3 . 1 . 1 5 5 GLY H H 1 8.279 . . . . . . . . 351 G HN . 51656 1 4 . 1 . 1 5 5 GLY N N 15 110.105 . . . . . . . . 351 G N . 51656 1 5 . 1 . 1 7 7 GLY H H 1 8.400 . . . . . . . . 353 G HN . 51656 1 6 . 1 . 1 7 7 GLY N N 15 108.933 . . . . . . . . 353 G N . 51656 1 7 . 1 . 1 9 9 SER H H 1 8.198 . . . . . . . . 355 S HN . 51656 1 8 . 1 . 1 9 9 SER N N 15 117.498 . . . . . . . . 355 S N . 51656 1 9 . 1 . 1 10 10 SER H H 1 8.298 . . . . . . . . 356 S HN . 51656 1 10 . 1 . 1 10 10 SER N N 15 118.057 . . . . . . . . 356 S N . 51656 1 11 . 1 . 1 11 11 ASN H H 1 8.353 . . . . . . . . 357 N HN . 51656 1 12 . 1 . 1 11 11 ASN N N 15 120.293 . . . . . . . . 357 N N . 51656 1 13 . 1 . 1 14 14 THR H H 1 8.218 . . . . . . . . 360 T HN . 51656 1 14 . 1 . 1 14 14 THR N N 15 113.732 . . . . . . . . 360 T N . 51656 1 15 . 1 . 1 15 15 GLY H H 1 8.413 . . . . . . . . 361 G HN . 51656 1 16 . 1 . 1 15 15 GLY N N 15 110.808 . . . . . . . . 361 G N . 51656 1 17 . 1 . 1 16 16 GLU H H 1 8.262 . . . . . . . . 362 E HN . 51656 1 18 . 1 . 1 16 16 GLU N N 15 120.700 . . . . . . . . 362 E N . 51656 1 19 . 1 . 1 17 17 GLN H H 1 8.472 . . . . . . . . 363 Q HN . 51656 1 20 . 1 . 1 17 17 GLN N N 15 121.082 . . . . . . . . 363 Q N . 51656 1 21 . 1 . 1 18 18 SER H H 1 8.349 . . . . . . . . 364 S HN . 51656 1 22 . 1 . 1 18 18 SER N N 15 116.842 . . . . . . . . 364 S N . 51656 1 23 . 1 . 1 19 19 GLY H H 1 8.372 . . . . . . . . 365 G HN . 51656 1 24 . 1 . 1 19 19 GLY N N 15 110.467 . . . . . . . . 365 G N . 51656 1 25 . 1 . 1 22 22 VAL H H 1 8.026 . . . . . . . . 368 V HN . 51656 1 26 . 1 . 1 22 22 VAL N N 15 122.213 . . . . . . . . 368 V N . 51656 1 27 . 1 . 1 23 23 GLU H H 1 8.542 . . . . . . . . 369 E HN . 51656 1 28 . 1 . 1 23 23 GLU N N 15 124.493 . . . . . . . . 369 E N . 51656 1 29 . 1 . 1 25 25 GLU H H 1 8.460 . . . . . . . . 371 E HN . 51656 1 30 . 1 . 1 25 25 GLU N N 15 122.152 . . . . . . . . 371 E N . 51656 1 31 . 1 . 1 27 27 GLU H H 1 8.363 . . . . . . . . 373 E HN . 51656 1 32 . 1 . 1 27 27 GLU N N 15 121.458 . . . . . . . . 373 E N . 51656 1 33 . 1 . 1 28 28 ASN H H 1 8.444 . . . . . . . . 374 N HN . 51656 1 34 . 1 . 1 28 28 ASN N N 15 120.092 . . . . . . . . 374 N N . 51656 1 35 . 1 . 1 30 30 LEU H H 1 8.181 . . . . . . . . 376 L HN . 51656 1 36 . 1 . 1 30 30 LEU N N 15 122.712 . . . . . . . . 376 L N . 51656 1 37 . 1 . 1 31 31 LEU H H 1 8.132 . . . . . . . . 377 L HN . 51656 1 38 . 1 . 1 31 31 LEU N N 15 122.814 . . . . . . . . 377 L N . 51656 1 39 . 1 . 1 32 32 ALA H H 1 8.171 . . . . . . . . 378 A HN . 51656 1 40 . 1 . 1 32 32 ALA N N 15 124.635 . . . . . . . . 378 A N . 51656 1 41 . 1 . 1 33 33 GLU H H 1 8.316 . . . . . . . . 379 E HN . 51656 1 42 . 1 . 1 33 33 GLU N N 15 119.406 . . . . . . . . 379 E N . 51656 1 43 . 1 . 1 34 34 ASP H H 1 8.294 . . . . . . . . 380 D HN . 51656 1 44 . 1 . 1 34 34 ASP N N 15 121.136 . . . . . . . . 380 D N . 51656 1 45 . 1 . 1 35 35 LEU H H 1 8.089 . . . . . . . . 381 L HN . 51656 1 46 . 1 . 1 35 35 LEU N N 15 123.436 . . . . . . . . 381 L N . 51656 1 47 . 1 . 1 37 37 GLY H H 1 8.508 . . . . . . . . 383 G HN . 51656 1 48 . 1 . 1 37 37 GLY N N 15 109.366 . . . . . . . . 383 G N . 51656 1 49 . 1 . 1 38 38 THR H H 1 8.001 . . . . . . . . 384 T HN . 51656 1 50 . 1 . 1 38 38 THR N N 15 113.011 . . . . . . . . 384 T N . 51656 1 51 . 1 . 1 39 39 GLU H H 1 8.597 . . . . . . . . 385 E HN . 51656 1 52 . 1 . 1 39 39 GLU N N 15 122.817 . . . . . . . . 385 E N . 51656 1 53 . 1 . 1 40 40 ASP H H 1 8.236 . . . . . . . . 386 D HN . 51656 1 54 . 1 . 1 40 40 ASP N N 15 120.879 . . . . . . . . 386 D N . 51656 1 55 . 1 . 1 41 41 PHE H H 1 8.109 . . . . . . . . 387 F HN . 51656 1 56 . 1 . 1 41 41 PHE N N 15 120.566 . . . . . . . . 387 F N . 51656 1 57 . 1 . 1 42 42 VAL H H 1 7.980 . . . . . . . . 388 V HN . 51656 1 58 . 1 . 1 42 42 VAL N N 15 122.186 . . . . . . . . 388 V N . 51656 1 59 . 1 . 1 43 43 GLY H H 1 8.006 . . . . . . . . 389 G HN . 51656 1 60 . 1 . 1 43 43 GLY N N 15 111.317 . . . . . . . . 389 G N . 51656 1 61 . 1 . 1 44 44 HIS H H 1 8.192 . . . . . . . . 390 H HN . 51656 1 62 . 1 . 1 44 44 HIS N N 15 119.147 . . . . . . . . 390 H N . 51656 1 63 . 1 . 1 46 46 GLY H H 1 8.423 . . . . . . . . 392 G HN . 51656 1 64 . 1 . 1 46 46 GLY N N 15 110.125 . . . . . . . . 392 G N . 51656 1 65 . 1 . 1 47 47 THR H H 1 8.074 . . . . . . . . 393 T HN . 51656 1 66 . 1 . 1 47 47 THR N N 15 114.205 . . . . . . . . 393 T N . 51656 1 67 . 1 . 1 48 48 VAL H H 1 8.275 . . . . . . . . 394 V HN . 51656 1 68 . 1 . 1 48 48 VAL N N 15 124.155 . . . . . . . . 394 V N . 51656 1 69 . 1 . 1 50 50 SER H H 1 8.383 . . . . . . . . 396 S HN . 51656 1 70 . 1 . 1 50 50 SER N N 15 115.812 . . . . . . . . 396 S N . 51656 1 71 . 1 . 1 51 51 ASP H H 1 8.315 . . . . . . . . 397 D HN . 51656 1 72 . 1 . 1 51 51 ASP N N 15 121.946 . . . . . . . . 397 D N . 51656 1 73 . 1 . 1 52 52 ASN H H 1 8.306 . . . . . . . . 398 N HN . 51656 1 74 . 1 . 1 52 52 ASN N N 15 118.611 . . . . . . . . 398 N N . 51656 1 75 . 1 . 1 53 53 ILE H H 1 8.082 . . . . . . . . 399 I HN . 51656 1 76 . 1 . 1 53 53 ILE N N 15 120.984 . . . . . . . . 399 I N . 51656 1 77 . 1 . 1 54 54 ASP H H 1 8.415 . . . . . . . . 400 D HN . 51656 1 78 . 1 . 1 54 54 ASP N N 15 123.809 . . . . . . . . 400 D N . 51656 1 79 . 1 . 1 55 55 SER H H 1 8.259 . . . . . . . . 401 S HN . 51656 1 80 . 1 . 1 55 55 SER N N 15 116.352 . . . . . . . . 401 S N . 51656 1 81 . 1 . 1 56 56 GLN H H 1 8.338 . . . . . . . . 402 Q HN . 51656 1 82 . 1 . 1 56 56 GLN N N 15 121.090 . . . . . . . . 402 Q N . 51656 1 83 . 1 . 1 57 57 GLY H H 1 8.315 . . . . . . . . 403 G HN . 51656 1 84 . 1 . 1 57 57 GLY N N 15 109.108 . . . . . . . . 403 G N . 51656 1 85 . 1 . 1 58 58 ARG H H 1 8.152 . . . . . . . . 404 R HN . 51656 1 86 . 1 . 1 58 58 ARG N N 15 120.480 . . . . . . . . 404 R N . 51656 1 87 . 1 . 1 59 59 ASN H H 1 8.494 . . . . . . . . 405 N HN . 51656 1 88 . 1 . 1 59 59 ASN N N 15 119.673 . . . . . . . . 405 N N . 51656 1 89 . 1 . 1 60 60 ALA H H 1 8.265 . . . . . . . . 406 A HN . 51656 1 90 . 1 . 1 60 60 ALA N N 15 124.576 . . . . . . . . 406 A N . 51656 1 91 . 1 . 1 61 61 SER H H 1 8.364 . . . . . . . . 407 S HN . 51656 1 92 . 1 . 1 61 61 SER N N 15 114.989 . . . . . . . . 407 S N . 51656 1 93 . 1 . 1 62 62 THR H H 1 8.134 . . . . . . . . 408 T HN . 51656 1 94 . 1 . 1 62 62 THR N N 15 115.255 . . . . . . . . 408 T N . 51656 1 95 . 1 . 1 63 63 ASN H H 1 8.395 . . . . . . . . 409 N HN . 51656 1 96 . 1 . 1 63 63 ASN N N 15 120.664 . . . . . . . . 409 N N . 51656 1 97 . 1 . 1 65 65 SER H H 1 8.212 . . . . . . . . 411 S HN . 51656 1 98 . 1 . 1 65 65 SER N N 15 115.877 . . . . . . . . 411 S N . 51656 1 99 . 1 . 1 66 66 LEU H H 1 8.107 . . . . . . . . 412 L HN . 51656 1 100 . 1 . 1 66 66 LEU N N 15 123.071 . . . . . . . . 412 L N . 51656 1 stop_ save_