data_52206 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52206 _Entry.Title ; Rat Metabatropic Glutamate Receptor 2 WT C-Terminal Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-10 _Entry.Accession_date 2023-11-10 _Entry.Last_release_date 2023-11-10 _Entry.Original_release_date 2023-11-10 _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 . _Entry.Generated_software_label . _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 Chiara Mancinelli . D. . 0000-0002-2653-4698 52206 2 David Eliezer . . . . 52206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 52 52206 '15N chemical shifts' 47 52206 '1H chemical shifts' 47 52206 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 2 . . 2024-07-12 2023-11-10 update BMRB 'update entry citation' 52206 1 . . 2024-04-10 2023-11-10 original author 'original release' 52206 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52202 'Rat Metabatropic Glutamate Receptor 3 WT C-Terminal Domain' 52206 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52206 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38985766 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Control of G protein-coupled receptor function via membrane-interacting intrinsically disordered C-terminal domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 121 _Citation.Journal_issue 29 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2407744121 _Citation.Page_last e2407744121 _Citation.Year 2024 _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 Chiara Mancinelli C. D. . . 52206 1 2 Dagan Marx D. C. . . 52206 1 3 Alberto Gonzalez-Hernandez A. J. . . 52206 1 4 Kevin Huynh K. . . . 52206 1 5 Lucia Mancinelli L. . . . 52206 1 6 Anisul Arefin A. . . . 52206 1 7 George Khelashvilli G. . . . 52206 1 8 Joshua Levitz J. . . . 52206 1 9 David Eliezer D. . . . 52206 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Beta-Arrestin 52206 1 'C-Terminal Domain' 52206 1 GPCR 52206 1 NMR 52206 1 'disordered protein' 52206 1 mGluR 52206 1 membrane 52206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52206 _Assembly.ID 1 _Assembly.Name rmGR2-CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 rmGR2-CTD 1 $entity_1 . . yes native no no . . . 52206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52206 _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 ; PQKNVVSHRAPTSRFGSAAP RASANLGQGSGSQLVPTVCN GREVVDSTTSSL ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 821 PRO . 52206 1 2 822 GLN . 52206 1 3 823 LYS . 52206 1 4 824 ASN . 52206 1 5 825 VAL . 52206 1 6 826 VAL . 52206 1 7 827 SER . 52206 1 8 828 HIS . 52206 1 9 829 ARG . 52206 1 10 830 ALA . 52206 1 11 831 PRO . 52206 1 12 832 THR . 52206 1 13 833 SER . 52206 1 14 834 ARG . 52206 1 15 835 PHE . 52206 1 16 836 GLY . 52206 1 17 837 SER . 52206 1 18 838 ALA . 52206 1 19 839 ALA . 52206 1 20 840 PRO . 52206 1 21 841 ARG . 52206 1 22 842 ALA . 52206 1 23 843 SER . 52206 1 24 844 ALA . 52206 1 25 845 ASN . 52206 1 26 846 LEU . 52206 1 27 847 GLY . 52206 1 28 848 GLN . 52206 1 29 849 GLY . 52206 1 30 850 SER . 52206 1 31 851 GLY . 52206 1 32 852 SER . 52206 1 33 853 GLN . 52206 1 34 854 LEU . 52206 1 35 855 VAL . 52206 1 36 856 PRO . 52206 1 37 857 THR . 52206 1 38 858 VAL . 52206 1 39 859 CYS . 52206 1 40 860 ASN . 52206 1 41 861 GLY . 52206 1 42 862 ARG . 52206 1 43 863 GLU . 52206 1 44 864 VAL . 52206 1 45 865 VAL . 52206 1 46 866 ASP . 52206 1 47 867 SER . 52206 1 48 868 THR . 52206 1 49 869 THR . 52206 1 50 870 SER . 52206 1 51 871 SER . 52206 1 52 872 LEU . 52206 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 . PRO 1 1 52206 1 . GLN 2 2 52206 1 . LYS 3 3 52206 1 . ASN 4 4 52206 1 . VAL 5 5 52206 1 . VAL 6 6 52206 1 . SER 7 7 52206 1 . HIS 8 8 52206 1 . ARG 9 9 52206 1 . ALA 10 10 52206 1 . PRO 11 11 52206 1 . THR 12 12 52206 1 . SER 13 13 52206 1 . ARG 14 14 52206 1 . PHE 15 15 52206 1 . GLY 16 16 52206 1 . SER 17 17 52206 1 . ALA 18 18 52206 1 . ALA 19 19 52206 1 . PRO 20 20 52206 1 . ARG 21 21 52206 1 . ALA 22 22 52206 1 . SER 23 23 52206 1 . ALA 24 24 52206 1 . ASN 25 25 52206 1 . LEU 26 26 52206 1 . GLY 27 27 52206 1 . GLN 28 28 52206 1 . GLY 29 29 52206 1 . SER 30 30 52206 1 . GLY 31 31 52206 1 . SER 32 32 52206 1 . GLN 33 33 52206 1 . LEU 34 34 52206 1 . VAL 35 35 52206 1 . PRO 36 36 52206 1 . THR 37 37 52206 1 . VAL 38 38 52206 1 . CYS 39 39 52206 1 . ASN 40 40 52206 1 . GLY 41 41 52206 1 . ARG 42 42 52206 1 . GLU 43 43 52206 1 . VAL 44 44 52206 1 . VAL 45 45 52206 1 . ASP 46 46 52206 1 . SER 47 47 52206 1 . THR 48 48 52206 1 . THR 49 49 52206 1 . SER 50 50 52206 1 . SER 51 51 52206 1 . LEU 52 52 52206 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 52206 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52206 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 52206 _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 . . pET-28(+) . . . 52206 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52206 _Sample.ID 1 _Sample.Name mGluR2-CTD _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 rmGR2-CTD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . um . . . . 52206 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52206 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52206 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52206 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52206 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 52206 1 7 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 52206 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 52206 _Sample_condition_list.ID 1 _Sample_condition_list.Name rmGR2-CTD _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' 250 . mM 52206 1 pH 6.8 . pH 52206 1 pressure 1 . atm 52206 1 temperature 283 . K 52206 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52206 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52206 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52206 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52206 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52206 _Software.ID 3 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52206 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52206 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52206 4 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 52206 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800-NYBSC _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52206 _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' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52206 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52206 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 52206 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name mGluR2-CTD _Chem_shift_reference.Details 'Referenced to external standard, NYSBC calibrates temperature probe using external thermocoupler' 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 na protons . . . . ppm 0 external indirect 0.251449530 . . . . . 52206 1 H 1 water protons . . . . ppm 4.916 external direct 1 . . . . . 52206 1 N 15 na protons . . . . ppm 0 external indirect 0.101329118 . . . . . 52206 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 52206 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name rmGR2-CTD _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' . . . 52206 1 2 '3D HNCA' . . . 52206 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 . . 52206 1 2 $software_2 . . 52206 1 3 $software_3 . . 52206 1 4 $software_4 . . 52206 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 1 1 PRO CA C 13 63.179 0.00 . . . . . . . 821 PRO CA . 52206 1 2 . 1 . 1 2 2 GLN H H 1 8.659 0.00 . . . . . . . 822 GLN H . 52206 1 3 . 1 . 1 2 2 GLN CA C 13 55.777 0.01 . . . . . . . 822 GLN CA . 52206 1 4 . 1 . 1 2 2 GLN N N 15 121.785 0.01 . . . . . . . 822 GLN N . 52206 1 5 . 1 . 1 3 3 LYS H H 1 8.505 0.00 . . . . . . . 823 LYS H . 52206 1 6 . 1 . 1 3 3 LYS CA C 13 56.432 0.01 . . . . . . . 823 LYS CA . 52206 1 7 . 1 . 1 3 3 LYS N N 15 123.151 0.00 . . . . . . . 823 LYS N . 52206 1 8 . 1 . 1 4 4 ASN H H 1 8.607 0.00 . . . . . . . 824 ASN H . 52206 1 9 . 1 . 1 4 4 ASN CA C 13 53.282 0.00 . . . . . . . 824 ASN CA . 52206 1 10 . 1 . 1 4 4 ASN N N 15 120.378 0.00 . . . . . . . 824 ASN N . 52206 1 11 . 1 . 1 5 5 VAL H H 1 8.202 0.00 . . . . . . . 825 VAL H . 52206 1 12 . 1 . 1 5 5 VAL CA C 13 62.379 0.01 . . . . . . . 825 VAL CA . 52206 1 13 . 1 . 1 5 5 VAL N N 15 121.280 0.01 . . . . . . . 825 VAL N . 52206 1 14 . 1 . 1 6 6 VAL H H 1 8.366 0.00 . . . . . . . 826 VAL H . 52206 1 15 . 1 . 1 6 6 VAL CA C 13 62.306 0.01 . . . . . . . 826 VAL CA . 52206 1 16 . 1 . 1 6 6 VAL N N 15 125.037 0.01 . . . . . . . 826 VAL N . 52206 1 17 . 1 . 1 7 7 SER H H 1 8.443 0.00 . . . . . . . 827 SER H . 52206 1 18 . 1 . 1 7 7 SER CA C 13 58.110 0.00 . . . . . . . 827 SER CA . 52206 1 19 . 1 . 1 7 7 SER N N 15 120.001 0.00 . . . . . . . 827 SER N . 52206 1 20 . 1 . 1 8 8 HIS H H 1 8.440 0.00 . . . . . . . 828 HIS H . 52206 1 21 . 1 . 1 8 8 HIS CA C 13 56.176 0.00 . . . . . . . 828 HIS CA . 52206 1 22 . 1 . 1 8 8 HIS N N 15 122.273 0.00 . . . . . . . 828 HIS N . 52206 1 23 . 1 . 1 9 9 ARG H H 1 8.271 0.00 . . . . . . . 829 ARG H . 52206 1 24 . 1 . 1 9 9 ARG CA C 13 55.653 0.01 . . . . . . . 829 ARG CA . 52206 1 25 . 1 . 1 9 9 ARG N N 15 122.790 0.00 . . . . . . . 829 ARG N . 52206 1 26 . 1 . 1 10 10 ALA H H 1 8.501 0.00 . . . . . . . 830 ALA H . 52206 1 27 . 1 . 1 10 10 ALA CA C 13 50.619 0.00 . . . . . . . 830 ALA CA . 52206 1 28 . 1 . 1 10 10 ALA N N 15 127.468 0.01 . . . . . . . 830 ALA N . 52206 1 29 . 1 . 1 11 11 PRO CA C 13 63.227 0.00 . . . . . . . 831 PRO CA . 52206 1 30 . 1 . 1 12 12 THR H H 1 8.289 0.00 . . . . . . . 832 THR H . 52206 1 31 . 1 . 1 12 12 THR CA C 13 61.895 0.01 . . . . . . . 832 THR CA . 52206 1 32 . 1 . 1 12 12 THR N N 15 114.063 0.00 . . . . . . . 832 THR N . 52206 1 33 . 1 . 1 13 13 SER H H 1 8.352 0.00 . . . . . . . 833 SER H . 52206 1 34 . 1 . 1 13 13 SER CA C 13 58.183 0.01 . . . . . . . 833 SER CA . 52206 1 35 . 1 . 1 13 13 SER N N 15 118.330 0.01 . . . . . . . 833 SER N . 52206 1 36 . 1 . 1 14 14 ARG H H 1 8.442 0.00 . . . . . . . 834 ARG H . 52206 1 37 . 1 . 1 14 14 ARG CA C 13 56.454 0.01 . . . . . . . 834 ARG CA . 52206 1 38 . 1 . 1 14 14 ARG N N 15 123.316 0.00 . . . . . . . 834 ARG N . 52206 1 39 . 1 . 1 15 15 PHE H H 1 8.331 0.00 . . . . . . . 835 PHE H . 52206 1 40 . 1 . 1 15 15 PHE CA C 13 57.850 0.00 . . . . . . . 835 PHE CA . 52206 1 41 . 1 . 1 15 15 PHE N N 15 120.697 0.01 . . . . . . . 835 PHE N . 52206 1 42 . 1 . 1 16 16 GLY H H 1 8.348 0.00 . . . . . . . 836 GLY H . 52206 1 43 . 1 . 1 16 16 GLY CA C 13 45.355 0.02 . . . . . . . 836 GLY CA . 52206 1 44 . 1 . 1 16 16 GLY N N 15 110.886 0.00 . . . . . . . 836 GLY N . 52206 1 45 . 1 . 1 17 17 SER H H 1 8.269 0.01 . . . . . . . 837 SER H . 52206 1 46 . 1 . 1 17 17 SER CA C 13 58.382 0.03 . . . . . . . 837 SER CA . 52206 1 47 . 1 . 1 17 17 SER N N 15 115.923 0.00 . . . . . . . 837 SER N . 52206 1 48 . 1 . 1 18 18 ALA H H 1 8.395 0.00 . . . . . . . 838 ALA H . 52206 1 49 . 1 . 1 18 18 ALA CA C 13 52.143 0.00 . . . . . . . 838 ALA CA . 52206 1 50 . 1 . 1 18 18 ALA N N 15 125.908 0.01 . . . . . . . 838 ALA N . 52206 1 51 . 1 . 1 19 19 ALA H H 1 8.278 0.00 . . . . . . . 839 ALA H . 52206 1 52 . 1 . 1 19 19 ALA CA C 13 50.579 0.00 . . . . . . . 839 ALA CA . 52206 1 53 . 1 . 1 19 19 ALA N N 15 125.005 0.00 . . . . . . . 839 ALA N . 52206 1 54 . 1 . 1 20 20 PRO CA C 13 63.061 0.00 . . . . . . . 840 PRO CA . 52206 1 55 . 1 . 1 21 21 ARG H H 1 8.503 0.00 . . . . . . . 841 ARG H . 52206 1 56 . 1 . 1 21 21 ARG CA C 13 56.045 0.00 . . . . . . . 841 ARG CA . 52206 1 57 . 1 . 1 21 21 ARG N N 15 121.728 0.01 . . . . . . . 841 ARG N . 52206 1 58 . 1 . 1 22 22 ALA H H 1 8.491 0.00 . . . . . . . 842 ALA H . 52206 1 59 . 1 . 1 22 22 ALA CA C 13 52.719 0.01 . . . . . . . 842 ALA CA . 52206 1 60 . 1 . 1 22 22 ALA N N 15 125.802 0.01 . . . . . . . 842 ALA N . 52206 1 61 . 1 . 1 23 23 SER H H 1 8.344 0.00 . . . . . . . 843 SER H . 52206 1 62 . 1 . 1 23 23 SER CA C 13 58.358 0.01 . . . . . . . 843 SER CA . 52206 1 63 . 1 . 1 23 23 SER N N 15 115.108 0.01 . . . . . . . 843 SER N . 52206 1 64 . 1 . 1 24 24 ALA H H 1 8.382 0.01 . . . . . . . 844 ALA H . 52206 1 65 . 1 . 1 24 24 ALA CA C 13 52.960 0.08 . . . . . . . 844 ALA CA . 52206 1 66 . 1 . 1 24 24 ALA N N 15 125.875 0.01 . . . . . . . 844 ALA N . 52206 1 67 . 1 . 1 25 25 ASN H H 1 8.429 0.00 . . . . . . . 845 ASN H . 52206 1 68 . 1 . 1 25 25 ASN CA C 13 53.164 0.01 . . . . . . . 845 ASN CA . 52206 1 69 . 1 . 1 25 25 ASN N N 15 117.536 0.00 . . . . . . . 845 ASN N . 52206 1 70 . 1 . 1 26 26 LEU H H 1 8.298 0.00 . . . . . . . 846 LEU H . 52206 1 71 . 1 . 1 26 26 LEU CA C 13 55.433 0.01 . . . . . . . 846 LEU CA . 52206 1 72 . 1 . 1 26 26 LEU N N 15 122.601 0.02 . . . . . . . 846 LEU N . 52206 1 73 . 1 . 1 27 27 GLY H H 1 8.505 0.00 . . . . . . . 847 GLY H . 52206 1 74 . 1 . 1 27 27 GLY CA C 13 45.441 0.01 . . . . . . . 847 GLY CA . 52206 1 75 . 1 . 1 27 27 GLY N N 15 109.462 0.01 . . . . . . . 847 GLY N . 52206 1 76 . 1 . 1 28 28 GLN H H 1 8.359 0.00 . . . . . . . 848 GLN H . 52206 1 77 . 1 . 1 28 28 GLN CA C 13 55.985 0.01 . . . . . . . 848 GLN CA . 52206 1 78 . 1 . 1 28 28 GLN N N 15 119.938 0.00 . . . . . . . 848 GLN N . 52206 1 79 . 1 . 1 29 29 GLY H H 1 8.600 0.00 . . . . . . . 849 GLY H . 52206 1 80 . 1 . 1 29 29 GLY CA C 13 45.311 0.00 . . . . . . . 849 GLY CA . 52206 1 81 . 1 . 1 29 29 GLY N N 15 110.475 0.01 . . . . . . . 849 GLY N . 52206 1 82 . 1 . 1 30 30 SER H H 1 8.418 0.00 . . . . . . . 850 SER H . 52206 1 83 . 1 . 1 30 30 SER CA C 13 58.688 0.00 . . . . . . . 850 SER CA . 52206 1 84 . 1 . 1 30 30 SER N N 15 116.010 0.03 . . . . . . . 850 SER N . 52206 1 85 . 1 . 1 31 31 GLY H H 1 8.626 0.00 . . . . . . . 851 GLY H . 52206 1 86 . 1 . 1 31 31 GLY CA C 13 45.442 0.01 . . . . . . . 851 GLY CA . 52206 1 87 . 1 . 1 31 31 GLY N N 15 111.321 0.01 . . . . . . . 851 GLY N . 52206 1 88 . 1 . 1 32 32 SER H H 1 8.278 0.00 . . . . . . . 852 SER H . 52206 1 89 . 1 . 1 32 32 SER CA C 13 58.488 0.01 . . . . . . . 852 SER CA . 52206 1 90 . 1 . 1 32 32 SER N N 15 115.930 0.01 . . . . . . . 852 SER N . 52206 1 91 . 1 . 1 33 33 GLN H H 1 8.512 0.00 . . . . . . . 853 GLN H . 52206 1 92 . 1 . 1 33 33 GLN CA C 13 55.723 0.00 . . . . . . . 853 GLN CA . 52206 1 93 . 1 . 1 33 33 GLN N N 15 122.154 0.01 . . . . . . . 853 GLN N . 52206 1 94 . 1 . 1 34 34 LEU H H 1 8.307 0.00 . . . . . . . 854 LEU H . 52206 1 95 . 1 . 1 34 34 LEU CA C 13 55.251 0.00 . . . . . . . 854 LEU CA . 52206 1 96 . 1 . 1 34 34 LEU N N 15 123.536 0.00 . . . . . . . 854 LEU N . 52206 1 97 . 1 . 1 35 35 VAL H H 1 8.239 0.00 . . . . . . . 855 VAL H . 52206 1 98 . 1 . 1 35 35 VAL CA C 13 59.772 0.00 . . . . . . . 855 VAL CA . 52206 1 99 . 1 . 1 35 35 VAL N N 15 123.114 0.01 . . . . . . . 855 VAL N . 52206 1 100 . 1 . 1 36 36 PRO CA C 13 63.184 0.00 . . . . . . . 856 PRO CA . 52206 1 101 . 1 . 1 37 37 THR H H 1 8.408 0.00 . . . . . . . 857 THR H . 52206 1 102 . 1 . 1 37 37 THR CA C 13 62.158 0.00 . . . . . . . 857 THR CA . 52206 1 103 . 1 . 1 37 37 THR N N 15 116.046 0.01 . . . . . . . 857 THR N . 52206 1 104 . 1 . 1 38 38 VAL CA C 13 62.137 0.00 . . . . . . . 858 VAL CA . 52206 1 105 . 1 . 1 39 39 CYS H H 1 8.635 0.00 . . . . . . . 859 CYS H . 52206 1 106 . 1 . 1 39 39 CYS CA C 13 58.552 0.01 . . . . . . . 859 CYS CA . 52206 1 107 . 1 . 1 39 39 CYS N N 15 124.183 0.02 . . . . . . . 859 CYS N . 52206 1 108 . 1 . 1 40 40 ASN H H 1 8.786 0.00 . . . . . . . 860 ASN H . 52206 1 109 . 1 . 1 40 40 ASN CA C 13 53.433 0.01 . . . . . . . 860 ASN CA . 52206 1 110 . 1 . 1 40 40 ASN N N 15 122.637 0.01 . . . . . . . 860 ASN N . 52206 1 111 . 1 . 1 41 41 GLY H H 1 8.553 0.00 . . . . . . . 861 GLY H . 52206 1 112 . 1 . 1 41 41 GLY CA C 13 45.515 0.01 . . . . . . . 861 GLY CA . 52206 1 113 . 1 . 1 41 41 GLY N N 15 109.478 0.03 . . . . . . . 861 GLY N . 52206 1 114 . 1 . 1 42 42 ARG H H 1 8.182 0.00 . . . . . . . 862 ARG H . 52206 1 115 . 1 . 1 42 42 ARG CA C 13 55.904 0.01 . . . . . . . 862 ARG CA . 52206 1 116 . 1 . 1 42 42 ARG N N 15 120.502 0.01 . . . . . . . 862 ARG N . 52206 1 117 . 1 . 1 43 43 GLU H H 1 8.607 0.00 . . . . . . . 863 GLU H . 52206 1 118 . 1 . 1 43 43 GLU CA C 13 56.613 0.00 . . . . . . . 863 GLU CA . 52206 1 119 . 1 . 1 43 43 GLU N N 15 122.449 0.01 . . . . . . . 863 GLU N . 52206 1 120 . 1 . 1 44 44 VAL H H 1 8.352 0.00 . . . . . . . 864 VAL H . 52206 1 121 . 1 . 1 44 44 VAL CA C 13 62.361 0.01 . . . . . . . 864 VAL CA . 52206 1 122 . 1 . 1 44 44 VAL N N 15 122.784 0.01 . . . . . . . 864 VAL N . 52206 1 123 . 1 . 1 45 45 VAL H H 1 8.319 0.00 . . . . . . . 865 VAL H . 52206 1 124 . 1 . 1 45 45 VAL CA C 13 62.137 0.01 . . . . . . . 865 VAL CA . 52206 1 125 . 1 . 1 45 45 VAL N N 15 123.248 0.04 . . . . . . . 865 VAL N . 52206 1 126 . 1 . 1 46 46 ASP H H 1 8.560 0.00 . . . . . . . 866 ASP H . 52206 1 127 . 1 . 1 46 46 ASP CA C 13 54.104 0.00 . . . . . . . 866 ASP CA . 52206 1 128 . 1 . 1 46 46 ASP N N 15 124.985 0.00 . . . . . . . 866 ASP N . 52206 1 129 . 1 . 1 47 47 SER H H 1 8.541 0.00 . . . . . . . 867 SER H . 52206 1 130 . 1 . 1 47 47 SER CA C 13 58.682 0.01 . . . . . . . 867 SER CA . 52206 1 131 . 1 . 1 47 47 SER N N 15 117.826 0.01 . . . . . . . 867 SER N . 52206 1 132 . 1 . 1 48 48 THR H H 1 8.473 0.00 . . . . . . . 868 THR H . 52206 1 133 . 1 . 1 48 48 THR CA C 13 62.651 0.01 . . . . . . . 868 THR CA . 52206 1 134 . 1 . 1 48 48 THR N N 15 115.881 0.00 . . . . . . . 868 THR N . 52206 1 135 . 1 . 1 49 49 THR H H 1 8.167 0.00 . . . . . . . 869 THR H . 52206 1 136 . 1 . 1 49 49 THR CA C 13 62.034 0.00 . . . . . . . 869 THR CA . 52206 1 137 . 1 . 1 49 49 THR N N 15 116.058 0.00 . . . . . . . 869 THR N . 52206 1 138 . 1 . 1 50 50 SER H H 1 8.355 0.00 . . . . . . . 870 SER H . 52206 1 139 . 1 . 1 50 50 SER CA C 13 58.335 0.01 . . . . . . . 870 SER CA . 52206 1 140 . 1 . 1 50 50 SER N N 15 118.331 0.01 . . . . . . . 870 SER N . 52206 1 141 . 1 . 1 51 51 SER H H 1 8.447 0.00 . . . . . . . 871 SER H . 52206 1 142 . 1 . 1 51 51 SER CA C 13 58.285 0.00 . . . . . . . 871 SER CA . 52206 1 143 . 1 . 1 51 51 SER N N 15 118.801 0.00 . . . . . . . 871 SER N . 52206 1 144 . 1 . 1 52 52 LEU H H 1 7.993 0.00 . . . . . . . 872 LEU H . 52206 1 145 . 1 . 1 52 52 LEU CA C 13 56.914 0.00 . . . . . . . 872 LEU CA . 52206 1 146 . 1 . 1 52 52 LEU N N 15 129.513 0.01 . . . . . . . 872 LEU N . 52206 1 stop_ save_