data_50086 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50086 _Entry.Title ; 1H, 15N, 13Ca, 13Cb assignments for yeast Gal4 AD residues 828-881 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-12 _Entry.Accession_date 2019-11-12 _Entry.Last_release_date 2019-11-12 _Entry.Original_release_date 2019-11-12 _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 'Assignments of yeast Gal4AD free and bound to Med15 ABD1' _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 Lisa Tuttle . M. . 0000-0001-8889-232X 50086 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50086 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 142 50086 '15N chemical shifts' 46 50086 '1H chemical shifts' 44 50086 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 . . 2021-07-13 2019-11-12 update BMRB 'update entry citation' 50086 1 . . 2021-03-11 2019-11-12 original author 'original release' 50086 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50086 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33850123 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mediator subunit Med15 dictates the conserved fuzzy binding mechanism of yeast transcription activators Gal4 and Gcn4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 12 _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 2220 _Citation.Page_last 2220 _Citation.Year 2021 _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 Lisa Tuttle L. M. . . 50086 1 2 Derek Pacheco D. . . . 50086 1 3 Linda Warfield L. . . . 50086 1 4 Damien Wilburn D. B. . . 50086 1 5 Steven Hahn S. . . . 50086 1 6 Rachel Klevit R. E. . . 50086 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'transcription activation, intrinsically disordered proteins, fuzzy binding' 50086 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50086 _Assembly.ID 1 _Assembly.Name 'Gal4 AD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'Gal4 AD' 1 $entity_1 . . yes native no no . . . 50086 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50086 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDGNNSKPLSPGWTDQTAYN AFGITTGMFNTTTMDDVYNY LFDDEDTPPNPKKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 828-881 _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _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 1 828 ASP . 50086 1 2 829 ASP . 50086 1 3 830 GLY . 50086 1 4 831 ASN . 50086 1 5 832 ASN . 50086 1 6 833 SER . 50086 1 7 834 LYS . 50086 1 8 835 PRO . 50086 1 9 836 LEU . 50086 1 10 837 SER . 50086 1 11 838 PRO . 50086 1 12 839 GLY . 50086 1 13 840 TRP . 50086 1 14 841 THR . 50086 1 15 842 ASP . 50086 1 16 843 GLN . 50086 1 17 844 THR . 50086 1 18 845 ALA . 50086 1 19 846 TYR . 50086 1 20 847 ASN . 50086 1 21 848 ALA . 50086 1 22 849 PHE . 50086 1 23 850 GLY . 50086 1 24 851 ILE . 50086 1 25 852 THR . 50086 1 26 853 THR . 50086 1 27 854 GLY . 50086 1 28 855 MET . 50086 1 29 856 PHE . 50086 1 30 857 ASN . 50086 1 31 858 THR . 50086 1 32 859 THR . 50086 1 33 860 THR . 50086 1 34 861 MET . 50086 1 35 862 ASP . 50086 1 36 863 ASP . 50086 1 37 864 VAL . 50086 1 38 865 TYR . 50086 1 39 866 ASN . 50086 1 40 867 TYR . 50086 1 41 868 LEU . 50086 1 42 869 PHE . 50086 1 43 870 ASP . 50086 1 44 871 ASP . 50086 1 45 872 GLU . 50086 1 46 873 ASP . 50086 1 47 874 THR . 50086 1 48 875 PRO . 50086 1 49 876 PRO . 50086 1 50 877 ASN . 50086 1 51 878 PRO . 50086 1 52 879 LYS . 50086 1 53 880 LYS . 50086 1 54 881 GLU . 50086 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 . ASP 1 1 50086 1 . ASP 2 2 50086 1 . GLY 3 3 50086 1 . ASN 4 4 50086 1 . ASN 5 5 50086 1 . SER 6 6 50086 1 . LYS 7 7 50086 1 . PRO 8 8 50086 1 . LEU 9 9 50086 1 . SER 10 10 50086 1 . PRO 11 11 50086 1 . GLY 12 12 50086 1 . TRP 13 13 50086 1 . THR 14 14 50086 1 . ASP 15 15 50086 1 . GLN 16 16 50086 1 . THR 17 17 50086 1 . ALA 18 18 50086 1 . TYR 19 19 50086 1 . ASN 20 20 50086 1 . ALA 21 21 50086 1 . PHE 22 22 50086 1 . GLY 23 23 50086 1 . ILE 24 24 50086 1 . THR 25 25 50086 1 . THR 26 26 50086 1 . GLY 27 27 50086 1 . MET 28 28 50086 1 . PHE 29 29 50086 1 . ASN 30 30 50086 1 . THR 31 31 50086 1 . THR 32 32 50086 1 . THR 33 33 50086 1 . MET 34 34 50086 1 . ASP 35 35 50086 1 . ASP 36 36 50086 1 . VAL 37 37 50086 1 . TYR 38 38 50086 1 . ASN 39 39 50086 1 . TYR 40 40 50086 1 . LEU 41 41 50086 1 . PHE 42 42 50086 1 . ASP 43 43 50086 1 . ASP 44 44 50086 1 . GLU 45 45 50086 1 . ASP 46 46 50086 1 . THR 47 47 50086 1 . PRO 48 48 50086 1 . PRO 49 49 50086 1 . ASN 50 50 50086 1 . PRO 51 51 50086 1 . LYS 52 52 50086 1 . LYS 53 53 50086 1 . GLU 54 54 50086 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 50086 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae BY4705 . . . . . . . . . . . . 50086 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 50086 _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 . . SHY823 . . . 50086 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50086 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'free form Gal4 AD 828-881' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50086 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50086 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50086 1 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 50086 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 50086 1 6 'yeast Gal4 AD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 560 . . uM . . . . 50086 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 50086 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 50086 1 pH 6.5 . pH 50086 1 pressure 1 . atm 50086 1 temperature 298 . K 50086 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50086 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50086 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50086 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50086 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 50086 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50086 2 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 50086 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance II 600 MHz with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' 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 50086 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50086 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50086 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50086 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50086 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50086 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50086 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 50086 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water 'methyl carbon' . . . . ppm 0 internal indirect 1 . . . . . 50086 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 50086 1 N 15 water nitrogen . . . . ppm 0 internal indirect 1 . . . . . 50086 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 50086 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 50086 1 2 '3D HNCACB' . . . 50086 1 3 '3D CBCA(CO)NH' . . . 50086 1 4 '3D HNCO' . . . 50086 1 5 '3D HNCA' . . . 50086 1 6 '3D HN(CO)CA' . . . 50086 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 . . 50086 1 2 $software_2 . . 50086 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 ASP C C 13 177.0049 0 . 1 . . . . . 829 ASP C . 50086 1 2 . 1 . 1 2 2 ASP CA C 13 54.4613 0 . 1 . . . . . 829 ASP CA . 50086 1 3 . 1 . 1 2 2 ASP CB C 13 40.7484 0 . 1 . . . . . 829 ASP CB . 50086 1 4 . 1 . 1 3 3 GLY H H 1 8.4724 0 . 1 . . . . . 830 GLY H . 50086 1 5 . 1 . 1 3 3 GLY C C 13 174.4441 0 . 1 . . . . . 830 GLY C . 50086 1 6 . 1 . 1 3 3 GLY CA C 13 45.6963 0 . 1 . . . . . 830 GLY CA . 50086 1 7 . 1 . 1 3 3 GLY N N 15 109.1198 0 . 1 . . . . . 830 GLY N . 50086 1 8 . 1 . 1 4 4 ASN H H 1 8.3313 0 . 1 . . . . . 831 ASN H . 50086 1 9 . 1 . 1 4 4 ASN C C 13 175.256 0 . 1 . . . . . 831 ASN C . 50086 1 10 . 1 . 1 4 4 ASN CA C 13 53.4835 0 . 1 . . . . . 831 ASN CA . 50086 1 11 . 1 . 1 4 4 ASN CB C 13 38.7167 0 . 1 . . . . . 831 ASN CB . 50086 1 12 . 1 . 1 4 4 ASN N N 15 118.7124 0 . 1 . . . . . 831 ASN N . 50086 1 13 . 1 . 1 5 5 ASN H H 1 8.4616 0 . 1 . . . . . 832 ASN H . 50086 1 14 . 1 . 1 5 5 ASN C C 13 175.1947 0 . 1 . . . . . 832 ASN C . 50086 1 15 . 1 . 1 5 5 ASN CA C 13 53.4872 0 . 1 . . . . . 832 ASN CA . 50086 1 16 . 1 . 1 5 5 ASN CB C 13 38.4899 0 . 1 . . . . . 832 ASN CB . 50086 1 17 . 1 . 1 5 5 ASN N N 15 119.2858 0 . 1 . . . . . 832 ASN N . 50086 1 18 . 1 . 1 6 6 SER H H 1 8.2306 0 . 1 . . . . . 833 SER H . 50086 1 19 . 1 . 1 6 6 SER C C 13 174.046 0 . 1 . . . . . 833 SER C . 50086 1 20 . 1 . 1 6 6 SER CA C 13 58.5135 0 . 1 . . . . . 833 SER CA . 50086 1 21 . 1 . 1 6 6 SER CB C 13 63.7839 0 . 1 . . . . . 833 SER CB . 50086 1 22 . 1 . 1 6 6 SER N N 15 115.8999 0 . 1 . . . . . 833 SER N . 50086 1 23 . 1 . 1 7 7 LYS H H 1 8.2012 0 . 1 . . . . . 834 LYS H . 50086 1 24 . 1 . 1 7 7 LYS CA C 13 54.237 0 . 1 . . . . . 834 LYS CA . 50086 1 25 . 1 . 1 7 7 LYS CB C 13 32.3254 0 . 1 . . . . . 834 LYS CB . 50086 1 26 . 1 . 1 7 7 LYS N N 15 124.0631 0 . 1 . . . . . 834 LYS N . 50086 1 27 . 1 . 1 8 8 PRO C C 13 176.7682 0 . 1 . . . . . 835 PRO C . 50086 1 28 . 1 . 1 8 8 PRO CA C 13 63.1021 0 . 1 . . . . . 835 PRO CA . 50086 1 29 . 1 . 1 8 8 PRO CB C 13 31.6486 0 . 1 . . . . . 835 PRO CB . 50086 1 30 . 1 . 1 9 9 LEU H H 1 8.2657 0 . 1 . . . . . 836 LEU H . 50086 1 31 . 1 . 1 9 9 LEU C C 13 177.2695 0 . 1 . . . . . 836 LEU C . 50086 1 32 . 1 . 1 9 9 LEU CA C 13 55.1823 0 . 1 . . . . . 836 LEU CA . 50086 1 33 . 1 . 1 9 9 LEU CB C 13 42.3279 0 . 1 . . . . . 836 LEU CB . 50086 1 34 . 1 . 1 9 9 LEU N N 15 122.1946 0 . 1 . . . . . 836 LEU N . 50086 1 35 . 1 . 1 10 10 SER H H 1 8.1726 0 . 1 . . . . . 837 SER H . 50086 1 36 . 1 . 1 10 10 SER CA C 13 56.296 0 . 1 . . . . . 837 SER CA . 50086 1 37 . 1 . 1 10 10 SER CB C 13 63.6365 0 . 1 . . . . . 837 SER CB . 50086 1 38 . 1 . 1 10 10 SER N N 15 117.5733 0 . 1 . . . . . 837 SER N . 50086 1 39 . 1 . 1 11 11 PRO C C 13 177.5271 0 . 1 . . . . . 838 PRO C . 50086 1 40 . 1 . 1 11 11 PRO CA C 13 63.7261 0 . 1 . . . . . 838 PRO CA . 50086 1 41 . 1 . 1 11 11 PRO CB C 13 31.6172 0 . 1 . . . . . 838 PRO CB . 50086 1 42 . 1 . 1 12 12 GLY H H 1 8.456 0 . 1 . . . . . 839 GLY H . 50086 1 43 . 1 . 1 12 12 GLY C C 13 174.0618 0 . 1 . . . . . 839 GLY C . 50086 1 44 . 1 . 1 12 12 GLY CA C 13 45.2534 0 . 1 . . . . . 839 GLY CA . 50086 1 45 . 1 . 1 12 12 GLY N N 15 109.1329 0 . 1 . . . . . 839 GLY N . 50086 1 46 . 1 . 1 13 13 TRP H H 1 7.961 0 . 1 . . . . . 840 TRP H . 50086 1 47 . 1 . 1 13 13 TRP C C 13 176.4114 0 . 1 . . . . . 840 TRP C . 50086 1 48 . 1 . 1 13 13 TRP CA C 13 58.0239 0 . 1 . . . . . 840 TRP CA . 50086 1 49 . 1 . 1 13 13 TRP CB C 13 29.3602 0 . 1 . . . . . 840 TRP CB . 50086 1 50 . 1 . 1 13 13 TRP N N 15 121.1165 0 . 1 . . . . . 840 TRP N . 50086 1 51 . 1 . 1 14 14 THR H H 1 7.8004 0 . 1 . . . . . 841 THR H . 50086 1 52 . 1 . 1 14 14 THR C C 13 173.5343 0 . 1 . . . . . 841 THR C . 50086 1 53 . 1 . 1 14 14 THR CA C 13 61.9884 0 . 1 . . . . . 841 THR CA . 50086 1 54 . 1 . 1 14 14 THR CB C 13 70.6444 0 . 1 . . . . . 841 THR CB . 50086 1 55 . 1 . 1 14 14 THR N N 15 115.6333 0 . 1 . . . . . 841 THR N . 50086 1 56 . 1 . 1 15 15 ASP H H 1 8.1217 0 . 1 . . . . . 842 ASP H . 50086 1 57 . 1 . 1 15 15 ASP CA C 13 54.4015 0 . 1 . . . . . 842 ASP CA . 50086 1 58 . 1 . 1 15 15 ASP CB C 13 41.0515 0 . 1 . . . . . 842 ASP CB . 50086 1 59 . 1 . 1 15 15 ASP N N 15 122.0964 0 . 1 . . . . . 842 ASP N . 50086 1 60 . 1 . 1 16 16 GLN C C 13 176.5088 0 . 1 . . . . . 843 GLN C . 50086 1 61 . 1 . 1 16 16 GLN CA C 13 56.5185 0 . 1 . . . . . 843 GLN CA . 50086 1 62 . 1 . 1 16 16 GLN CB C 13 29.2013 0 . 1 . . . . . 843 GLN CB . 50086 1 63 . 1 . 1 17 17 THR H H 1 8.2036 0 . 1 . . . . . 844 THR H . 50086 1 64 . 1 . 1 17 17 THR C C 13 174.6515 0 . 1 . . . . . 844 THR C . 50086 1 65 . 1 . 1 17 17 THR CA C 13 62.9174 0 . 1 . . . . . 844 THR CA . 50086 1 66 . 1 . 1 17 17 THR CB C 13 69.8468 0 . 1 . . . . . 844 THR CB . 50086 1 67 . 1 . 1 17 17 THR N N 15 114.6513 0 . 1 . . . . . 844 THR N . 50086 1 68 . 1 . 1 18 18 ALA H H 1 8.1031 0 . 1 . . . . . 845 ALA H . 50086 1 69 . 1 . 1 18 18 ALA C C 13 177.4801 0 . 1 . . . . . 845 ALA C . 50086 1 70 . 1 . 1 18 18 ALA CA C 13 52.6412 0 . 1 . . . . . 845 ALA CA . 50086 1 71 . 1 . 1 18 18 ALA CB C 13 19.0197 0 . 1 . . . . . 845 ALA CB . 50086 1 72 . 1 . 1 18 18 ALA N N 15 125.4904 0 . 1 . . . . . 845 ALA N . 50086 1 73 . 1 . 1 19 19 TYR H H 1 7.9911 0 . 1 . . . . . 846 TYR H . 50086 1 74 . 1 . 1 19 19 TYR C C 13 175.716 0 . 1 . . . . . 846 TYR C . 50086 1 75 . 1 . 1 19 19 TYR CA C 13 58.2956 0 . 1 . . . . . 846 TYR CA . 50086 1 76 . 1 . 1 19 19 TYR CB C 13 38.6286 0 . 1 . . . . . 846 TYR CB . 50086 1 77 . 1 . 1 19 19 TYR N N 15 119.0709 0 . 1 . . . . . 846 TYR N . 50086 1 78 . 1 . 1 20 20 ASN H H 1 8.1359 0 . 1 . . . . . 847 ASN H . 50086 1 79 . 1 . 1 20 20 ASN C C 13 174.9355 0 . 1 . . . . . 847 ASN C . 50086 1 80 . 1 . 1 20 20 ASN CA C 13 53.0205 0 . 1 . . . . . 847 ASN CA . 50086 1 81 . 1 . 1 20 20 ASN CB C 13 38.8347 0 . 1 . . . . . 847 ASN CB . 50086 1 82 . 1 . 1 20 20 ASN N N 15 120.5036 0 . 1 . . . . . 847 ASN N . 50086 1 83 . 1 . 1 21 21 ALA H H 1 8.0552 0 . 1 . . . . . 848 ALA H . 50086 1 84 . 1 . 1 21 21 ALA C C 13 177.5468 0 . 1 . . . . . 848 ALA C . 50086 1 85 . 1 . 1 21 21 ALA CA C 13 52.6936 0 . 1 . . . . . 848 ALA CA . 50086 1 86 . 1 . 1 21 21 ALA CB C 13 19.0008 0 . 1 . . . . . 848 ALA CB . 50086 1 87 . 1 . 1 21 21 ALA N N 15 123.9128 0 . 1 . . . . . 848 ALA N . 50086 1 88 . 1 . 1 22 22 PHE H H 1 8.0504 0 . 1 . . . . . 849 PHE H . 50086 1 89 . 1 . 1 22 22 PHE C C 13 176.4039 0 . 1 . . . . . 849 PHE C . 50086 1 90 . 1 . 1 22 22 PHE CA C 13 58.1719 0 . 1 . . . . . 849 PHE CA . 50086 1 91 . 1 . 1 22 22 PHE CB C 13 39.3383 0 . 1 . . . . . 849 PHE CB . 50086 1 92 . 1 . 1 22 22 PHE N N 15 117.7723 0 . 1 . . . . . 849 PHE N . 50086 1 93 . 1 . 1 23 23 GLY H H 1 8.1219 0 . 1 . . . . . 850 GLY H . 50086 1 94 . 1 . 1 23 23 GLY C C 13 173.9782 0 . 1 . . . . . 850 GLY C . 50086 1 95 . 1 . 1 23 23 GLY CA C 13 45.6044 0 . 1 . . . . . 850 GLY CA . 50086 1 96 . 1 . 1 23 23 GLY N N 15 109.704 0 . 1 . . . . . 850 GLY N . 50086 1 97 . 1 . 1 24 24 ILE H H 1 7.9172 0 . 1 . . . . . 851 ILE H . 50086 1 98 . 1 . 1 24 24 ILE C C 13 176.7631 0 . 1 . . . . . 851 ILE C . 50086 1 99 . 1 . 1 24 24 ILE CA C 13 61.3389 0 . 1 . . . . . 851 ILE CA . 50086 1 100 . 1 . 1 24 24 ILE CB C 13 38.6472 0 . 1 . . . . . 851 ILE CB . 50086 1 101 . 1 . 1 24 24 ILE N N 15 119.9103 0 . 1 . . . . . 851 ILE N . 50086 1 102 . 1 . 1 25 25 THR H H 1 8.2876 0 . 1 . . . . . 852 THR H . 50086 1 103 . 1 . 1 25 25 THR C C 13 174.811 0 . 1 . . . . . 852 THR C . 50086 1 104 . 1 . 1 25 25 THR CA C 13 62.0097 0 . 1 . . . . . 852 THR CA . 50086 1 105 . 1 . 1 25 25 THR CB C 13 69.879 0 . 1 . . . . . 852 THR CB . 50086 1 106 . 1 . 1 25 25 THR N N 15 117.5734 0 . 1 . . . . . 852 THR N . 50086 1 107 . 1 . 1 26 26 THR H H 1 8.0867 0 . 1 . . . . . 853 THR H . 50086 1 108 . 1 . 1 26 26 THR C C 13 175.0664 0 . 1 . . . . . 853 THR C . 50086 1 109 . 1 . 1 26 26 THR CA C 13 62.0258 0 . 1 . . . . . 853 THR CA . 50086 1 110 . 1 . 1 26 26 THR CB C 13 69.8682 0 . 1 . . . . . 853 THR CB . 50086 1 111 . 1 . 1 26 26 THR N N 15 115.6949 0 . 1 . . . . . 853 THR N . 50086 1 112 . 1 . 1 27 27 GLY H H 1 8.3634 0 . 1 . . . . . 854 GLY H . 50086 1 113 . 1 . 1 27 27 GLY C C 13 174.0324 0 . 1 . . . . . 854 GLY C . 50086 1 114 . 1 . 1 27 27 GLY CA C 13 45.5814 0 . 1 . . . . . 854 GLY CA . 50086 1 115 . 1 . 1 27 27 GLY N N 15 110.8754 0 . 1 . . . . . 854 GLY N . 50086 1 116 . 1 . 1 28 28 MET H H 1 8.04 0 . 1 . . . . . 855 MET H . 50086 1 117 . 1 . 1 28 28 MET C C 13 175.802 0 . 1 . . . . . 855 MET C . 50086 1 118 . 1 . 1 28 28 MET CA C 13 55.7263 0 . 1 . . . . . 855 MET CA . 50086 1 119 . 1 . 1 28 28 MET CB C 13 33.0904 0 . 1 . . . . . 855 MET CB . 50086 1 120 . 1 . 1 28 28 MET N N 15 119.4254 0 . 1 . . . . . 855 MET N . 50086 1 121 . 1 . 1 29 29 PHE H H 1 8.1965 0 . 1 . . . . . 856 PHE H . 50086 1 122 . 1 . 1 29 29 PHE C C 13 175.2912 0 . 1 . . . . . 856 PHE C . 50086 1 123 . 1 . 1 29 29 PHE CA C 13 57.4932 0 . 1 . . . . . 856 PHE CA . 50086 1 124 . 1 . 1 29 29 PHE CB C 13 39.3604 0 . 1 . . . . . 856 PHE CB . 50086 1 125 . 1 . 1 29 29 PHE N N 15 120.2312 0 . 1 . . . . . 856 PHE N . 50086 1 126 . 1 . 1 30 30 ASN H H 1 8.373 0 . 1 . . . . . 857 ASN H . 50086 1 127 . 1 . 1 30 30 ASN C C 13 175.1852 0 . 1 . . . . . 857 ASN C . 50086 1 128 . 1 . 1 30 30 ASN CA C 13 53.2737 0 . 1 . . . . . 857 ASN CA . 50086 1 129 . 1 . 1 30 30 ASN CB C 13 39.0559 0 . 1 . . . . . 857 ASN CB . 50086 1 130 . 1 . 1 30 30 ASN N N 15 120.222 0 . 1 . . . . . 857 ASN N . 50086 1 131 . 1 . 1 31 31 THR H H 1 8.1745 0 . 1 . . . . . 858 THR H . 50086 1 132 . 1 . 1 31 31 THR C C 13 174.8068 0 . 1 . . . . . 858 THR C . 50086 1 133 . 1 . 1 31 31 THR CA C 13 62.0278 0 . 1 . . . . . 858 THR CA . 50086 1 134 . 1 . 1 31 31 THR CB C 13 69.6518 0 . 1 . . . . . 858 THR CB . 50086 1 135 . 1 . 1 31 31 THR N N 15 114.1555 0 . 1 . . . . . 858 THR N . 50086 1 136 . 1 . 1 32 32 THR H H 1 8.2558 0 . 1 . . . . . 859 THR H . 50086 1 137 . 1 . 1 32 32 THR C C 13 174.7653 0 . 1 . . . . . 859 THR C . 50086 1 138 . 1 . 1 32 32 THR CA C 13 62.1411 0 . 1 . . . . . 859 THR CA . 50086 1 139 . 1 . 1 32 32 THR CB C 13 69.9712 0 . 1 . . . . . 859 THR CB . 50086 1 140 . 1 . 1 32 32 THR N N 15 116.0751 0 . 1 . . . . . 859 THR N . 50086 1 141 . 1 . 1 33 33 THR H H 1 8.2009 0 . 1 . . . . . 860 THR H . 50086 1 142 . 1 . 1 33 33 THR C C 13 174.5892 0 . 1 . . . . . 860 THR C . 50086 1 143 . 1 . 1 33 33 THR CA C 13 61.9134 0 . 1 . . . . . 860 THR CA . 50086 1 144 . 1 . 1 33 33 THR CB C 13 69.7434 0 . 1 . . . . . 860 THR CB . 50086 1 145 . 1 . 1 33 33 THR N N 15 116.0391 0 . 1 . . . . . 860 THR N . 50086 1 146 . 1 . 1 34 34 MET H H 1 8.3794 0 . 1 . . . . . 861 MET H . 50086 1 147 . 1 . 1 34 34 MET C C 13 175.9421 0 . 1 . . . . . 861 MET C . 50086 1 148 . 1 . 1 34 34 MET CA C 13 55.8249 0 . 1 . . . . . 861 MET CA . 50086 1 149 . 1 . 1 34 34 MET CB C 13 33.0412 0 . 1 . . . . . 861 MET CB . 50086 1 150 . 1 . 1 34 34 MET N N 15 122.2326 0 . 1 . . . . . 861 MET N . 50086 1 151 . 1 . 1 35 35 ASP H H 1 8.2683 0 . 1 . . . . . 862 ASP H . 50086 1 152 . 1 . 1 35 35 ASP CA C 13 54.3158 0 . 1 . . . . . 862 ASP CA . 50086 1 153 . 1 . 1 35 35 ASP CB C 13 41.626 0 . 1 . . . . . 862 ASP CB . 50086 1 154 . 1 . 1 35 35 ASP N N 15 121.0738 0 . 1 . . . . . 862 ASP N . 50086 1 155 . 1 . 1 36 36 ASP H H 1 8.2438 0 . 1 . . . . . 863 ASP H . 50086 1 156 . 1 . 1 36 36 ASP C C 13 176.3696 0 . 1 . . . . . 863 ASP C . 50086 1 157 . 1 . 1 36 36 ASP CA C 13 54.2924 0 . 1 . . . . . 863 ASP CA . 50086 1 158 . 1 . 1 36 36 ASP CB C 13 41.6128 0 . 1 . . . . . 863 ASP CB . 50086 1 159 . 1 . 1 36 36 ASP N N 15 120.2643 0 . 1 . . . . . 863 ASP N . 50086 1 160 . 1 . 1 37 37 VAL H H 1 7.882 0 . 1 . . . . . 864 VAL H . 50086 1 161 . 1 . 1 37 37 VAL C C 13 176.042 0 . 1 . . . . . 864 VAL C . 50086 1 162 . 1 . 1 37 37 VAL CA C 13 62.8408 0 . 1 . . . . . 864 VAL CA . 50086 1 163 . 1 . 1 37 37 VAL CB C 13 32.3408 0 . 1 . . . . . 864 VAL CB . 50086 1 164 . 1 . 1 37 37 VAL N N 15 119.03 0 . 1 . . . . . 864 VAL N . 50086 1 165 . 1 . 1 38 38 TYR H H 1 8.1214 0 . 1 . . . . . 865 TYR H . 50086 1 166 . 1 . 1 38 38 TYR C C 13 175.4523 0 . 1 . . . . . 865 TYR C . 50086 1 167 . 1 . 1 38 38 TYR CA C 13 58.1633 0 . 1 . . . . . 865 TYR CA . 50086 1 168 . 1 . 1 38 38 TYR CB C 13 38.6152 0 . 1 . . . . . 865 TYR CB . 50086 1 169 . 1 . 1 38 38 TYR N N 15 122.3105 0 . 1 . . . . . 865 TYR N . 50086 1 170 . 1 . 1 39 39 ASN H H 1 8.0795 0 . 1 . . . . . 866 ASN H . 50086 1 171 . 1 . 1 39 39 ASN C C 13 174.6221 0 . 1 . . . . . 866 ASN C . 50086 1 172 . 1 . 1 39 39 ASN CA C 13 53.2234 0 . 1 . . . . . 866 ASN CA . 50086 1 173 . 1 . 1 39 39 ASN CB C 13 38.6841 0 . 1 . . . . . 866 ASN CB . 50086 1 174 . 1 . 1 39 39 ASN N N 15 120.282 0 . 1 . . . . . 866 ASN N . 50086 1 175 . 1 . 1 40 40 TYR H H 1 7.9021 0 . 1 . . . . . 867 TYR H . 50086 1 176 . 1 . 1 40 40 TYR C C 13 175.3685 0 . 1 . . . . . 867 TYR C . 50086 1 177 . 1 . 1 40 40 TYR CA C 13 58.1048 0 . 1 . . . . . 867 TYR CA . 50086 1 178 . 1 . 1 40 40 TYR CB C 13 38.9417 0 . 1 . . . . . 867 TYR CB . 50086 1 179 . 1 . 1 40 40 TYR N N 15 120.3708 0 . 1 . . . . . 867 TYR N . 50086 1 180 . 1 . 1 41 41 LEU H H 1 7.846 0 . 1 . . . . . 868 LEU H . 50086 1 181 . 1 . 1 41 41 LEU C C 13 176.6236 0 . 1 . . . . . 868 LEU C . 50086 1 182 . 1 . 1 41 41 LEU CA C 13 54.9805 0 . 1 . . . . . 868 LEU CA . 50086 1 183 . 1 . 1 41 41 LEU CB C 13 42.5185 0 . 1 . . . . . 868 LEU CB . 50086 1 184 . 1 . 1 41 41 LEU N N 15 122.9638 0 . 1 . . . . . 868 LEU N . 50086 1 185 . 1 . 1 42 42 PHE H H 1 7.938 0 . 1 . . . . . 869 PHE H . 50086 1 186 . 1 . 1 42 42 PHE C C 13 175.3303 0 . 1 . . . . . 869 PHE C . 50086 1 187 . 1 . 1 42 42 PHE CA C 13 57.4626 0 . 1 . . . . . 869 PHE CA . 50086 1 188 . 1 . 1 42 42 PHE CB C 13 39.3865 0 . 1 . . . . . 869 PHE CB . 50086 1 189 . 1 . 1 42 42 PHE N N 15 120.1102 0 . 1 . . . . . 869 PHE N . 50086 1 190 . 1 . 1 43 43 ASP H H 1 8.2505 0 . 1 . . . . . 870 ASP H . 50086 1 191 . 1 . 1 43 43 ASP CA C 13 54.3865 0 . 1 . . . . . 870 ASP CA . 50086 1 192 . 1 . 1 43 43 ASP CB C 13 41.9158 0 . 1 . . . . . 870 ASP CB . 50086 1 193 . 1 . 1 43 43 ASP N N 15 121.8381 0 . 1 . . . . . 870 ASP N . 50086 1 194 . 1 . 1 44 44 ASP C C 13 176.398 0 . 1 . . . . . 871 ASP C . 50086 1 195 . 1 . 1 44 44 ASP N N 15 121.0191 0 . 1 . . . . . 871 ASP N . 50086 1 196 . 1 . 1 45 45 GLU H H 1 8.3854 0 . 1 . . . . . 872 GLU H . 50086 1 197 . 1 . 1 45 45 GLU C C 13 176.5079 0 . 1 . . . . . 872 GLU C . 50086 1 198 . 1 . 1 45 45 GLU CA C 13 56.5901 0 . 1 . . . . . 872 GLU CA . 50086 1 199 . 1 . 1 45 45 GLU CB C 13 30.0335 0 . 1 . . . . . 872 GLU CB . 50086 1 200 . 1 . 1 45 45 GLU N N 15 120.8502 0 . 1 . . . . . 872 GLU N . 50086 1 201 . 1 . 1 46 46 ASP C C 13 176.0096 0 . 1 . . . . . 873 ASP C . 50086 1 202 . 1 . 1 46 46 ASP CA C 13 54.2363 0 . 1 . . . . . 873 ASP CA . 50086 1 203 . 1 . 1 46 46 ASP CB C 13 41.6669 0 . 1 . . . . . 873 ASP CB . 50086 1 204 . 1 . 1 46 46 ASP N N 15 121.1855 0 . 1 . . . . . 873 ASP N . 50086 1 205 . 1 . 1 47 47 THR H H 1 8.0488 0 . 1 . . . . . 874 THR H . 50086 1 206 . 1 . 1 47 47 THR CA C 13 59.8101 0 . 1 . . . . . 874 THR CA . 50086 1 207 . 1 . 1 47 47 THR CB C 13 69.9447 0 . 1 . . . . . 874 THR CB . 50086 1 208 . 1 . 1 47 47 THR N N 15 117.105 0 . 1 . . . . . 874 THR N . 50086 1 209 . 1 . 1 49 49 PRO C C 13 176.4056 0 . 1 . . . . . 876 PRO C . 50086 1 210 . 1 . 1 49 49 PRO CA C 13 62.9298 0 . 1 . . . . . 876 PRO CA . 50086 1 211 . 1 . 1 49 49 PRO CB C 13 31.9338 0 . 1 . . . . . 876 PRO CB . 50086 1 212 . 1 . 1 50 50 ASN H H 1 8.45 0 . 1 . . . . . 877 ASN H . 50086 1 213 . 1 . 1 50 50 ASN CA C 13 51.2223 0 . 1 . . . . . 877 ASN CA . 50086 1 214 . 1 . 1 50 50 ASN CB C 13 39.1081 0 . 1 . . . . . 877 ASN CB . 50086 1 215 . 1 . 1 50 50 ASN N N 15 119.3596 0 . 1 . . . . . 877 ASN N . 50086 1 216 . 1 . 1 51 51 PRO C C 13 176.7429 0 . 1 . . . . . 878 PRO C . 50086 1 217 . 1 . 1 51 51 PRO CA C 13 63.6435 0 . 1 . . . . . 878 PRO CA . 50086 1 218 . 1 . 1 51 51 PRO CB C 13 32.0077 0 . 1 . . . . . 878 PRO CB . 50086 1 219 . 1 . 1 52 52 LYS H H 1 8.3126 0 . 1 . . . . . 879 LYS H . 50086 1 220 . 1 . 1 52 52 LYS C C 13 176.3043 0 . 1 . . . . . 879 LYS C . 50086 1 221 . 1 . 1 52 52 LYS CA C 13 56.5519 0 . 1 . . . . . 879 LYS CA . 50086 1 222 . 1 . 1 52 52 LYS CB C 13 33.0171 0 . 1 . . . . . 879 LYS CB . 50086 1 223 . 1 . 1 52 52 LYS N N 15 121.407 0 . 1 . . . . . 879 LYS N . 50086 1 224 . 1 . 1 53 53 LYS H H 1 8.3342 0 . 1 . . . . . 880 LYS H . 50086 1 225 . 1 . 1 53 53 LYS C C 13 175.4702 0 . 1 . . . . . 880 LYS C . 50086 1 226 . 1 . 1 53 53 LYS CA C 13 56.5539 0 . 1 . . . . . 880 LYS CA . 50086 1 227 . 1 . 1 53 53 LYS CB C 13 33.116 0 . 1 . . . . . 880 LYS CB . 50086 1 228 . 1 . 1 53 53 LYS N N 15 124.0464 0 . 1 . . . . . 880 LYS N . 50086 1 229 . 1 . 1 54 54 GLU H H 1 8.0172 0 . 1 . . . . . 881 GLU H . 50086 1 230 . 1 . 1 54 54 GLU CA C 13 58.3605 0 . 1 . . . . . 881 GLU CA . 50086 1 231 . 1 . 1 54 54 GLU CB C 13 31.1197 0 . 1 . . . . . 881 GLU CB . 50086 1 232 . 1 . 1 54 54 GLU N N 15 127.655 0 . 1 . . . . . 881 GLU N . 50086 1 stop_ save_