data_52091 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52091 _Entry.Title ; DNAJB6 JD-GF F91I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-22 _Entry.Accession_date 2023-08-22 _Entry.Last_release_date 2023-08-22 _Entry.Original_release_date 2023-08-22 _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 Meital Avraham . . . . 52091 2 Yehuda Salzberg . . . . 52091 3 Dar Glicksberg . . . . 52091 4 Meital Oren . . . . 52091 5 Rina Rosenzweig . . . . 52091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 52091 '15N chemical shifts' 99 52091 '1H chemical shifts' 99 52091 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 . . 2023-11-06 2023-08-22 update BMRB 'update entry citation' 52091 1 . . 2023-10-30 2023-08-22 original author 'original release' 52091 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51996 'DNAJB6 J-domain' 52091 BMRB 51997 'DNAJB6_JD-GF A50V' 52091 BMRB 52065 'DNAJB6 JD-GF F89I' 52091 BMRB 52098 'DNAJB6 JD-GF F100V' 52091 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52091 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37923706 _Citation.DOI 10.1038/s41467-023-42735-z _Citation.Full_citation . _Citation.Title ; DNAJB6 mutants display toxic gain of function through unregulated interaction with Hsp70 chaperones ; _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 7066 _Citation.Page_last 7066 _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 Meital Abayev-Avraham M. . . . 52091 1 2 Yehuda Salzberg Y. . . . 52091 1 3 Dar Gliksberg D. . . . 52091 1 4 Meital Oren-Suissa M. . . . 52091 1 5 Rina Rosenzweig R. . . . 52091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52091 _Assembly.ID 1 _Assembly.Name 'DNAJB6 JD-GF F91I' _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 'DNAJB6 JD-GF F91I' 1 $entity_1 . . yes native no no . . . 52091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52091 _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 ; MVDYYEVLGVQRHASPEDIK KAYRKLALKWHPDKNPENKE EAERKFKQVAEAYEVLSDAK KRDIYDKYGKEGLNGGGGGG SHFDSPFEFGITFRNPDDVF REFFGGRDP ; _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 109 _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 . MET . 52091 1 2 . VAL . 52091 1 3 . ASP . 52091 1 4 . TYR . 52091 1 5 . TYR . 52091 1 6 . GLU . 52091 1 7 . VAL . 52091 1 8 . LEU . 52091 1 9 . GLY . 52091 1 10 . VAL . 52091 1 11 . GLN . 52091 1 12 . ARG . 52091 1 13 . HIS . 52091 1 14 . ALA . 52091 1 15 . SER . 52091 1 16 . PRO . 52091 1 17 . GLU . 52091 1 18 . ASP . 52091 1 19 . ILE . 52091 1 20 . LYS . 52091 1 21 . LYS . 52091 1 22 . ALA . 52091 1 23 . TYR . 52091 1 24 . ARG . 52091 1 25 . LYS . 52091 1 26 . LEU . 52091 1 27 . ALA . 52091 1 28 . LEU . 52091 1 29 . LYS . 52091 1 30 . TRP . 52091 1 31 . HIS . 52091 1 32 . PRO . 52091 1 33 . ASP . 52091 1 34 . LYS . 52091 1 35 . ASN . 52091 1 36 . PRO . 52091 1 37 . GLU . 52091 1 38 . ASN . 52091 1 39 . LYS . 52091 1 40 . GLU . 52091 1 41 . GLU . 52091 1 42 . ALA . 52091 1 43 . GLU . 52091 1 44 . ARG . 52091 1 45 . LYS . 52091 1 46 . PHE . 52091 1 47 . LYS . 52091 1 48 . GLN . 52091 1 49 . VAL . 52091 1 50 . ALA . 52091 1 51 . GLU . 52091 1 52 . ALA . 52091 1 53 . TYR . 52091 1 54 . GLU . 52091 1 55 . VAL . 52091 1 56 . LEU . 52091 1 57 . SER . 52091 1 58 . ASP . 52091 1 59 . ALA . 52091 1 60 . LYS . 52091 1 61 . LYS . 52091 1 62 . ARG . 52091 1 63 . ASP . 52091 1 64 . ILE . 52091 1 65 . TYR . 52091 1 66 . ASP . 52091 1 67 . LYS . 52091 1 68 . TYR . 52091 1 69 . GLY . 52091 1 70 . LYS . 52091 1 71 . GLU . 52091 1 72 . GLY . 52091 1 73 . LEU . 52091 1 74 . ASN . 52091 1 75 . GLY . 52091 1 76 . GLY . 52091 1 77 . GLY . 52091 1 78 . GLY . 52091 1 79 . GLY . 52091 1 80 . GLY . 52091 1 81 . SER . 52091 1 82 . HIS . 52091 1 83 . PHE . 52091 1 84 . ASP . 52091 1 85 . SER . 52091 1 86 . PRO . 52091 1 87 . PHE . 52091 1 88 . GLU . 52091 1 89 . PHE . 52091 1 90 . GLY . 52091 1 91 . ILE . 52091 1 92 . THR . 52091 1 93 . PHE . 52091 1 94 . ARG . 52091 1 95 . ASN . 52091 1 96 . PRO . 52091 1 97 . ASP . 52091 1 98 . ASP . 52091 1 99 . VAL . 52091 1 100 . PHE . 52091 1 101 . ARG . 52091 1 102 . GLU . 52091 1 103 . PHE . 52091 1 104 . PHE . 52091 1 105 . GLY . 52091 1 106 . GLY . 52091 1 107 . ARG . 52091 1 108 . ASP . 52091 1 109 . PRO . 52091 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 . MET 1 1 52091 1 . VAL 2 2 52091 1 . ASP 3 3 52091 1 . TYR 4 4 52091 1 . TYR 5 5 52091 1 . GLU 6 6 52091 1 . VAL 7 7 52091 1 . LEU 8 8 52091 1 . GLY 9 9 52091 1 . VAL 10 10 52091 1 . GLN 11 11 52091 1 . ARG 12 12 52091 1 . HIS 13 13 52091 1 . ALA 14 14 52091 1 . SER 15 15 52091 1 . PRO 16 16 52091 1 . GLU 17 17 52091 1 . ASP 18 18 52091 1 . ILE 19 19 52091 1 . LYS 20 20 52091 1 . LYS 21 21 52091 1 . ALA 22 22 52091 1 . TYR 23 23 52091 1 . ARG 24 24 52091 1 . LYS 25 25 52091 1 . LEU 26 26 52091 1 . ALA 27 27 52091 1 . LEU 28 28 52091 1 . LYS 29 29 52091 1 . TRP 30 30 52091 1 . HIS 31 31 52091 1 . PRO 32 32 52091 1 . ASP 33 33 52091 1 . LYS 34 34 52091 1 . ASN 35 35 52091 1 . PRO 36 36 52091 1 . GLU 37 37 52091 1 . ASN 38 38 52091 1 . LYS 39 39 52091 1 . GLU 40 40 52091 1 . GLU 41 41 52091 1 . ALA 42 42 52091 1 . GLU 43 43 52091 1 . ARG 44 44 52091 1 . LYS 45 45 52091 1 . PHE 46 46 52091 1 . LYS 47 47 52091 1 . GLN 48 48 52091 1 . VAL 49 49 52091 1 . ALA 50 50 52091 1 . GLU 51 51 52091 1 . ALA 52 52 52091 1 . TYR 53 53 52091 1 . GLU 54 54 52091 1 . VAL 55 55 52091 1 . LEU 56 56 52091 1 . SER 57 57 52091 1 . ASP 58 58 52091 1 . ALA 59 59 52091 1 . LYS 60 60 52091 1 . LYS 61 61 52091 1 . ARG 62 62 52091 1 . ASP 63 63 52091 1 . ILE 64 64 52091 1 . TYR 65 65 52091 1 . ASP 66 66 52091 1 . LYS 67 67 52091 1 . TYR 68 68 52091 1 . GLY 69 69 52091 1 . LYS 70 70 52091 1 . GLU 71 71 52091 1 . GLY 72 72 52091 1 . LEU 73 73 52091 1 . ASN 74 74 52091 1 . GLY 75 75 52091 1 . GLY 76 76 52091 1 . GLY 77 77 52091 1 . GLY 78 78 52091 1 . GLY 79 79 52091 1 . GLY 80 80 52091 1 . SER 81 81 52091 1 . HIS 82 82 52091 1 . PHE 83 83 52091 1 . ASP 84 84 52091 1 . SER 85 85 52091 1 . PRO 86 86 52091 1 . PHE 87 87 52091 1 . GLU 88 88 52091 1 . PHE 89 89 52091 1 . GLY 90 90 52091 1 . ILE 91 91 52091 1 . THR 92 92 52091 1 . PHE 93 93 52091 1 . ARG 94 94 52091 1 . ASN 95 95 52091 1 . PRO 96 96 52091 1 . ASP 97 97 52091 1 . ASP 98 98 52091 1 . VAL 99 99 52091 1 . PHE 100 100 52091 1 . ARG 101 101 52091 1 . GLU 102 102 52091 1 . PHE 103 103 52091 1 . PHE 104 104 52091 1 . GLY 105 105 52091 1 . GLY 106 106 52091 1 . ARG 107 107 52091 1 . ASP 108 108 52091 1 . PRO 109 109 52091 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 52091 _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 . . . . . . . . . . . . . 52091 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 52091 _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 . . pET29b . . . 52091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52091 _Sample.ID 1 _Sample.Name 'DNAJB6 JD-GF F91I' _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 'DNAJB6 JD-GF F91I' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 52091 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 52091 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'DNAJB6 JD-GF F91I' _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' 50 . mM 52091 1 pH 7.4 . pH 52091 1 pressure 1 . atm 52091 1 temperature 298 . K 52091 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52091 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52091 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52091 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52091 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52091 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52091 3 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 52091 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker_600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52091 _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 . . . . . . . . . . . . . . . . . 52091 1 2 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52091 1 3 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52091 1 4 '3D HNCACO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52091 1 5 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52091 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 52091 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DNAJB6 JD-GF F91I' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 52091 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52091 1 N 15 na nitrogen . . . . na 0 na direct 1 . . . . . 52091 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 52091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DNAJB6 JD-GF F91I' _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 2 '3D CBCA(CO)NH' . . . 52091 1 3 '3D HNCACB' . . . 52091 1 4 '3D HNCACO' . . . 52091 1 5 '3D HNCO' . . . 52091 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 . . 52091 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 VAL C C 13 176.751 . . . . . . . . 2 V C . 52091 1 2 . 1 . 1 2 2 VAL CA C 13 61.8296741767 . . . . . . . . 2 V CA . 52091 1 3 . 1 . 1 2 2 VAL CB C 13 32.8090715899 . . . . . . . . 2 V CB . 52091 1 4 . 1 . 1 3 3 ASP H H 1 8.4956681852 . . . . . . . . 3 D H . 52091 1 5 . 1 . 1 3 3 ASP C C 13 174.4224602263 . . . . . . . . 3 D C . 52091 1 6 . 1 . 1 3 3 ASP CA C 13 52.3792059564 . . . . . . . . 3 D CA . 52091 1 7 . 1 . 1 3 3 ASP CB C 13 42.0581200313 . . . . . . . . 3 D CB . 52091 1 8 . 1 . 1 3 3 ASP N N 15 125.6574095411 . . . . . . . . 3 D N . 52091 1 9 . 1 . 1 4 4 TYR H H 1 7.57351558 . . . . . . . . 4 Y H . 52091 1 10 . 1 . 1 4 4 TYR C C 13 176.7505585449 . . . . . . . . 4 Y C . 52091 1 11 . 1 . 1 4 4 TYR CA C 13 59.1540597253 . . . . . . . . 4 Y CA . 52091 1 12 . 1 . 1 4 4 TYR CB C 13 38.1295315492 . . . . . . . . 4 Y CB . 52091 1 13 . 1 . 1 4 4 TYR N N 15 122.9070403426 . . . . . . . . 4 Y N . 52091 1 14 . 1 . 1 5 5 TYR H H 1 7.8488966056 . . . . . . . . 5 Y H . 52091 1 15 . 1 . 1 5 5 TYR C C 13 178.0758426702 . . . . . . . . 5 Y C . 52091 1 16 . 1 . 1 5 5 TYR CA C 13 62.70192883 . . . . . . . . 5 Y CA . 52091 1 17 . 1 . 1 5 5 TYR CB C 13 35.6549163978 . . . . . . . . 5 Y CB . 52091 1 18 . 1 . 1 5 5 TYR N N 15 116.4764374193 . . . . . . . . 5 Y N . 52091 1 19 . 1 . 1 6 6 GLU H H 1 7.5724152171 . . . . . . . . 6 E H . 52091 1 20 . 1 . 1 6 6 GLU C C 13 180.4603135427 . . . . . . . . 6 E C . 52091 1 21 . 1 . 1 6 6 GLU CA C 13 59.0301654841 . . . . . . . . 6 E CA . 52091 1 22 . 1 . 1 6 6 GLU CB C 13 29.2059165695 . . . . . . . . 6 E CB . 52091 1 23 . 1 . 1 6 6 GLU N N 15 120.1725776096 . . . . . . . . 6 E N . 52091 1 24 . 1 . 1 7 7 VAL H H 1 8.0106733424 . . . . . . . . 7 V H . 52091 1 25 . 1 . 1 7 7 VAL CA C 13 66.3280198247 . . . . . . . . 7 V CA . 52091 1 26 . 1 . 1 7 7 VAL CB C 13 31.3551665129 . . . . . . . . 7 V CB . 52091 1 27 . 1 . 1 7 7 VAL N N 15 120.0412812612 . . . . . . . . 7 V N . 52091 1 28 . 1 . 1 8 8 LEU H H 1 6.918163729 . . . . . . . . 8 L H . 52091 1 29 . 1 . 1 8 8 LEU C C 13 175.4306454053 . . . . . . . . 8 L C . 52091 1 30 . 1 . 1 8 8 LEU CA C 13 54.4815711963 . . . . . . . . 8 L CA . 52091 1 31 . 1 . 1 8 8 LEU CB C 13 42.4917150752 . . . . . . . . 8 L CB . 52091 1 32 . 1 . 1 8 8 LEU N N 15 113.6669576108 . . . . . . . . 8 L N . 52091 1 33 . 1 . 1 9 9 GLY H H 1 7.8810431028 . . . . . . . . 9 G H . 52091 1 34 . 1 . 1 9 9 GLY C C 13 175.5441015214 . . . . . . . . 9 G C . 52091 1 35 . 1 . 1 9 9 GLY CA C 13 46.536 . . . . . . . . 9 G CA . 52091 1 36 . 1 . 1 9 9 GLY N N 15 108.9106516791 . . . . . . . . 9 G N . 52091 1 37 . 1 . 1 10 10 VAL H H 1 7.8474397131 . . . . . . . . 10 V H . 52091 1 38 . 1 . 1 10 10 VAL C C 13 174.6544526592 . . . . . . . . 10 V C . 52091 1 39 . 1 . 1 10 10 VAL CA C 13 58.2339693564 . . . . . . . . 10 V CA . 52091 1 40 . 1 . 1 10 10 VAL CB C 13 34.6101778205 . . . . . . . . 10 V CB . 52091 1 41 . 1 . 1 10 10 VAL N N 15 110.3606929365 . . . . . . . . 10 V N . 52091 1 42 . 1 . 1 11 11 GLN H H 1 8.1963116581 . . . . . . . . 11 Q H . 52091 1 43 . 1 . 1 11 11 GLN C C 13 176.1782129444 . . . . . . . . 11 Q C . 52091 1 44 . 1 . 1 11 11 GLN CB C 13 29.8106932435 . . . . . . . . 11 Q CB . 52091 1 45 . 1 . 1 11 11 GLN N N 15 117.77424259 . . . . . . . . 11 Q N . 52091 1 46 . 1 . 1 12 12 ARG H H 1 8.2059603056 . . . . . . . . 12 R H . 52091 1 47 . 1 . 1 12 12 ARG C C 13 174.9478474967 . . . . . . . . 12 R C . 52091 1 48 . 1 . 1 12 12 ARG CA C 13 58.2322310605 . . . . . . . . 12 R CA . 52091 1 49 . 1 . 1 12 12 ARG CB C 13 29.3333735846 . . . . . . . . 12 R CB . 52091 1 50 . 1 . 1 12 12 ARG N N 15 117.7908194669 . . . . . . . . 12 R N . 52091 1 51 . 1 . 1 13 13 HIS H H 1 6.9416882596 . . . . . . . . 13 H H . 52091 1 52 . 1 . 1 13 13 HIS CA C 13 54.6357728249 . . . . . . . . 13 H CA . 52091 1 53 . 1 . 1 13 13 HIS CB C 13 29.2130634794 . . . . . . . . 13 H CB . 52091 1 54 . 1 . 1 13 13 HIS N N 15 112.1096231668 . . . . . . . . 13 H N . 52091 1 55 . 1 . 1 14 14 ALA H H 1 7.4081607284 . . . . . . . . 14 A H . 52091 1 56 . 1 . 1 14 14 ALA CA C 13 52.8517777565 . . . . . . . . 14 A CA . 52091 1 57 . 1 . 1 14 14 ALA CB C 13 19.3293692521 . . . . . . . . 14 A CB . 52091 1 58 . 1 . 1 14 14 ALA N N 15 123.23 . . . . . . . . 14 A N . 52091 1 59 . 1 . 1 15 15 SER H H 1 9.3040511783 . . . . . . . . 15 S H . 52091 1 60 . 1 . 1 15 15 SER CA C 13 56.4353272832 . . . . . . . . 15 S CA . 52091 1 61 . 1 . 1 15 15 SER CB C 13 63.4121040444 . . . . . . . . 15 S CB . 52091 1 62 . 1 . 1 15 15 SER N N 15 120.2167462845 . . . . . . . . 15 S N . 52091 1 63 . 1 . 1 17 17 GLU H H 1 8.2606482164 . . . . . . . . 17 E H . 52091 1 64 . 1 . 1 17 17 GLU C C 13 178.5455768835 . . . . . . . . 17 E C . 52091 1 65 . 1 . 1 17 17 GLU CA C 13 59.7501551443 . . . . . . . . 17 E CA . 52091 1 66 . 1 . 1 17 17 GLU CB C 13 29.0805127017 . . . . . . . . 17 E CB . 52091 1 67 . 1 . 1 17 17 GLU N N 15 117.2249511378 . . . . . . . . 17 E N . 52091 1 68 . 1 . 1 18 18 ASP H H 1 8.0214593651 . . . . . . . . 18 D H . 52091 1 69 . 1 . 1 18 18 ASP C C 13 179.8592437068 . . . . . . . . 18 D C . 52091 1 70 . 1 . 1 18 18 ASP CA C 13 57.5277963716 . . . . . . . . 18 D CA . 52091 1 71 . 1 . 1 18 18 ASP CB C 13 40.6828028194 . . . . . . . . 18 D CB . 52091 1 72 . 1 . 1 18 18 ASP N N 15 121.7980371864 . . . . . . . . 18 D N . 52091 1 73 . 1 . 1 19 19 ILE H H 1 7.8545376731 . . . . . . . . 19 I H . 52091 1 74 . 1 . 1 19 19 ILE C C 13 176.8896940853 . . . . . . . . 19 I C . 52091 1 75 . 1 . 1 19 19 ILE CA C 13 65.2842441551 . . . . . . . . 19 I CA . 52091 1 76 . 1 . 1 19 19 ILE CB C 13 37.7413399151 . . . . . . . . 19 I CB . 52091 1 77 . 1 . 1 19 19 ILE N N 15 121.8583728527 . . . . . . . . 19 I N . 52091 1 78 . 1 . 1 20 20 LYS H H 1 7.8887629995 . . . . . . . . 20 K H . 52091 1 79 . 1 . 1 20 20 LYS C C 13 178.1647280939 . . . . . . . . 20 K C . 52091 1 80 . 1 . 1 20 20 LYS CA C 13 61.0611521979 . . . . . . . . 20 K CA . 52091 1 81 . 1 . 1 20 20 LYS CB C 13 32.9822153695 . . . . . . . . 20 K CB . 52091 1 82 . 1 . 1 20 20 LYS N N 15 119.6798266543 . . . . . . . . 20 K N . 52091 1 83 . 1 . 1 21 21 LYS H H 1 8.17708177 . . . . . . . . 21 K H . 52091 1 84 . 1 . 1 21 21 LYS C C 13 179.0920223221 . . . . . . . . 21 K C . 52091 1 85 . 1 . 1 21 21 LYS CA C 13 59.8945224371 . . . . . . . . 21 K CA . 52091 1 86 . 1 . 1 21 21 LYS CB C 13 32.9359228509 . . . . . . . . 21 K CB . 52091 1 87 . 1 . 1 21 21 LYS N N 15 117.6428213888 . . . . . . . . 21 K N . 52091 1 88 . 1 . 1 22 22 ALA H H 1 7.7655963881 . . . . . . . . 22 A H . 52091 1 89 . 1 . 1 22 22 ALA C C 13 179.1472184071 . . . . . . . . 22 A C . 52091 1 90 . 1 . 1 22 22 ALA CA C 13 55.1757756312 . . . . . . . . 22 A CA . 52091 1 91 . 1 . 1 22 22 ALA CB C 13 19.3125169964 . . . . . . . . 22 A CB . 52091 1 92 . 1 . 1 22 22 ALA N N 15 122.4900072609 . . . . . . . . 22 A N . 52091 1 93 . 1 . 1 23 23 TYR H H 1 8.1492943009 . . . . . . . . 23 Y H . 52091 1 94 . 1 . 1 23 23 TYR C C 13 175.3386885412 . . . . . . . . 23 Y C . 52091 1 95 . 1 . 1 23 23 TYR CA C 13 62.7151925063 . . . . . . . . 23 Y CA . 52091 1 96 . 1 . 1 23 23 TYR CB C 13 38.6504608433 . . . . . . . . 23 Y CB . 52091 1 97 . 1 . 1 23 23 TYR N N 15 117.6343796261 . . . . . . . . 23 Y N . 52091 1 98 . 1 . 1 24 24 ARG H H 1 7.9935524302 . . . . . . . . 24 R H . 52091 1 99 . 1 . 1 24 24 ARG C C 13 177.1822377807 . . . . . . . . 24 R C . 52091 1 100 . 1 . 1 24 24 ARG CA C 13 59.6952180026 . . . . . . . . 24 R CA . 52091 1 101 . 1 . 1 24 24 ARG CB C 13 30.3332769824 . . . . . . . . 24 R CB . 52091 1 102 . 1 . 1 24 24 ARG N N 15 117.2127316291 . . . . . . . . 24 R N . 52091 1 103 . 1 . 1 25 25 LYS H H 1 7.16920813 . . . . . . . . 25 K H . 52091 1 104 . 1 . 1 25 25 LYS C C 13 179.8592501571 . . . . . . . . 25 K C . 52091 1 105 . 1 . 1 25 25 LYS CA C 13 59.6657457553 . . . . . . . . 25 K CA . 52091 1 106 . 1 . 1 25 25 LYS CB C 13 32.8520834688 . . . . . . . . 25 K CB . 52091 1 107 . 1 . 1 25 25 LYS N N 15 113.3138140049 . . . . . . . . 25 K N . 52091 1 108 . 1 . 1 26 26 LEU H H 1 8.107 . . . . . . . . 26 L H . 52091 1 109 . 1 . 1 26 26 LEU C C 13 178.2749359793 . . . . . . . . 26 L C . 52091 1 110 . 1 . 1 26 26 LEU CA C 13 57.4730250245 . . . . . . . . 26 L CA . 52091 1 111 . 1 . 1 26 26 LEU CB C 13 43.4676204769 . . . . . . . . 26 L CB . 52091 1 112 . 1 . 1 26 26 LEU N N 15 120.124 . . . . . . . . 26 L N . 52091 1 113 . 1 . 1 27 27 ALA H H 1 9.3523337543 . . . . . . . . 27 A H . 52091 1 114 . 1 . 1 27 27 ALA C C 13 179.1968994522 . . . . . . . . 27 A C . 52091 1 115 . 1 . 1 27 27 ALA CA C 13 55.4923700233 . . . . . . . . 27 A CA . 52091 1 116 . 1 . 1 27 27 ALA CB C 13 17.3731138811 . . . . . . . . 27 A CB . 52091 1 117 . 1 . 1 27 27 ALA N N 15 123.3665645199 . . . . . . . . 27 A N . 52091 1 118 . 1 . 1 28 28 LEU H H 1 6.975515882 . . . . . . . . 28 L H . 52091 1 119 . 1 . 1 28 28 LEU C C 13 179.4287230093 . . . . . . . . 28 L C . 52091 1 120 . 1 . 1 28 28 LEU CA C 13 57.2905510129 . . . . . . . . 28 L CA . 52091 1 121 . 1 . 1 28 28 LEU CB C 13 41.8698091309 . . . . . . . . 28 L CB . 52091 1 122 . 1 . 1 28 28 LEU N N 15 112.2481120595 . . . . . . . . 28 L N . 52091 1 123 . 1 . 1 29 29 LYS H H 1 7.345515882 . . . . . . . . 29 K H . 52091 1 124 . 1 . 1 29 29 LYS C C 13 178.4483297132 . . . . . . . . 29 K C . 52091 1 125 . 1 . 1 29 29 LYS CA C 13 59.022986024 . . . . . . . . 29 K CA . 52091 1 126 . 1 . 1 29 29 LYS CB C 13 32.9692849011 . . . . . . . . 29 K CB . 52091 1 127 . 1 . 1 29 29 LYS N N 15 118.4271120595 . . . . . . . . 29 K N . 52091 1 128 . 1 . 1 30 30 TRP H H 1 7.9796977867 . . . . . . . . 30 W H . 52091 1 129 . 1 . 1 30 30 TRP HE1 H 1 10.2913914301 . . . . . . . . 30 W HE1 . 52091 1 130 . 1 . 1 30 30 TRP C C 13 172.9553669374 . . . . . . . . 30 W C . 52091 1 131 . 1 . 1 30 30 TRP CA C 13 56.2822174059 . . . . . . . . 30 W CA . 52091 1 132 . 1 . 1 30 30 TRP CB C 13 29.3892413742 . . . . . . . . 30 W CB . 52091 1 133 . 1 . 1 30 30 TRP N N 15 114.4822535461 . . . . . . . . 30 W N . 52091 1 134 . 1 . 1 30 30 TRP NE1 N 15 126.8667271032 . . . . . . . . 30 W NE1 . 52091 1 135 . 1 . 1 31 31 HIS H H 1 6.940889139 . . . . . . . . 31 H H . 52091 1 136 . 1 . 1 31 31 HIS C C 13 177.3129886501 . . . . . . . . 31 H C . 52091 1 137 . 1 . 1 31 31 HIS CA C 13 56.2217116 . . . . . . . . 31 H CA . 52091 1 138 . 1 . 1 31 31 HIS CB C 13 30.2530415013 . . . . . . . . 31 H CB . 52091 1 139 . 1 . 1 31 31 HIS N N 15 120.8342811454 . . . . . . . . 31 H N . 52091 1 140 . 1 . 1 32 32 PRO CA C 13 66.3561241384 . . . . . . . . 32 P CA . 52091 1 141 . 1 . 1 32 32 PRO CB C 13 32.0255373993 . . . . . . . . 32 P CB . 52091 1 142 . 1 . 1 33 33 ASP H H 1 10.2287434302 . . . . . . . . 33 D H . 52091 1 143 . 1 . 1 33 33 ASP C C 13 177.862284584 . . . . . . . . 33 D C . 52091 1 144 . 1 . 1 33 33 ASP CA C 13 56.7920297071 . . . . . . . . 33 D CA . 52091 1 145 . 1 . 1 33 33 ASP CB C 13 39.9771294061 . . . . . . . . 33 D CB . 52091 1 146 . 1 . 1 33 33 ASP N N 15 119.6858068367 . . . . . . . . 33 D N . 52091 1 147 . 1 . 1 34 34 LYS H H 1 6.972215882 . . . . . . . . 34 K H . 52091 1 148 . 1 . 1 34 34 LYS C C 13 175.5399433598 . . . . . . . . 34 K C . 52091 1 149 . 1 . 1 34 34 LYS CA C 13 54.239 . . . . . . . . 34 K CA . 52091 1 150 . 1 . 1 34 34 LYS CB C 13 32.208 . . . . . . . . 34 K CB . 52091 1 151 . 1 . 1 34 34 LYS N N 15 116.1201120595 . . . . . . . . 34 K N . 52091 1 152 . 1 . 1 35 35 ASN H H 1 7.3562590972 . . . . . . . . 35 N H . 52091 1 153 . 1 . 1 35 35 ASN C C 13 172.063384641 . . . . . . . . 35 N C . 52091 1 154 . 1 . 1 35 35 ASN CA C 13 60.5961293272 . . . . . . . . 35 N CA . 52091 1 155 . 1 . 1 35 35 ASN CB C 13 42.34896689 . . . . . . . . 35 N CB . 52091 1 156 . 1 . 1 35 35 ASN N N 15 118.5361886842 . . . . . . . . 35 N N . 52091 1 157 . 1 . 1 36 36 PRO C C 13 178.3090533931 . . . . . . . . 36 P C . 52091 1 158 . 1 . 1 36 36 PRO CA C 13 65.1966825463 . . . . . . . . 36 P CA . 52091 1 159 . 1 . 1 36 36 PRO CB C 13 31.4341595053 . . . . . . . . 36 P CB . 52091 1 160 . 1 . 1 37 37 GLU H H 1 8.703825014 . . . . . . . . 37 E H . 52091 1 161 . 1 . 1 37 37 GLU C C 13 175.9690643903 . . . . . . . . 37 E C . 52091 1 162 . 1 . 1 37 37 GLU CA C 13 56.8083253845 . . . . . . . . 37 E CA . 52091 1 163 . 1 . 1 37 37 GLU CB C 13 29.2021461176 . . . . . . . . 37 E CB . 52091 1 164 . 1 . 1 37 37 GLU N N 15 117.1448006407 . . . . . . . . 37 E N . 52091 1 165 . 1 . 1 38 38 ASN H H 1 7.8152668175 . . . . . . . . 38 N H . 52091 1 166 . 1 . 1 38 38 ASN C C 13 175.1088500787 . . . . . . . . 38 N C . 52091 1 167 . 1 . 1 38 38 ASN CA C 13 51.9514015109 . . . . . . . . 38 N CA . 52091 1 168 . 1 . 1 38 38 ASN CB C 13 38.5781215228 . . . . . . . . 38 N CB . 52091 1 169 . 1 . 1 38 38 ASN N N 15 120.3286577236 . . . . . . . . 38 N N . 52091 1 170 . 1 . 1 39 39 LYS H H 1 7.9944164764 . . . . . . . . 39 K H . 52091 1 171 . 1 . 1 39 39 LYS C C 13 178.084784342 . . . . . . . . 39 K C . 52091 1 172 . 1 . 1 39 39 LYS CA C 13 60.9862591736 . . . . . . . . 39 K CA . 52091 1 173 . 1 . 1 39 39 LYS CB C 13 33.1568952197 . . . . . . . . 39 K CB . 52091 1 174 . 1 . 1 39 39 LYS N N 15 121.7032889862 . . . . . . . . 39 K N . 52091 1 175 . 1 . 1 40 40 GLU H H 1 8.4870621363 . . . . . . . . 40 E H . 52091 1 176 . 1 . 1 40 40 GLU C C 13 179.41978289 . . . . . . . . 40 E C . 52091 1 177 . 1 . 1 40 40 GLU CA C 13 59.4217136221 . . . . . . . . 40 E CA . 52091 1 178 . 1 . 1 40 40 GLU CB C 13 30.3058335142 . . . . . . . . 40 E CB . 52091 1 179 . 1 . 1 40 40 GLU N N 15 118.9158682464 . . . . . . . . 40 E N . 52091 1 180 . 1 . 1 41 41 GLU H H 1 8.134 . . . . . . . . 41 E H . 52091 1 181 . 1 . 1 41 41 GLU CA C 13 58.8925295445 . . . . . . . . 41 E CA . 52091 1 182 . 1 . 1 41 41 GLU CB C 13 29.3287085285 . . . . . . . . 41 E CB . 52091 1 183 . 1 . 1 41 41 GLU N N 15 120.236 . . . . . . . . 41 E N . 52091 1 184 . 1 . 1 42 42 ALA H H 1 8.0186954438 . . . . . . . . 42 A H . 52091 1 185 . 1 . 1 42 42 ALA C C 13 178.4811133593 . . . . . . . . 42 A C . 52091 1 186 . 1 . 1 42 42 ALA CA C 13 55.7182446088 . . . . . . . . 42 A CA . 52091 1 187 . 1 . 1 42 42 ALA CB C 13 17.8212716271 . . . . . . . . 42 A CB . 52091 1 188 . 1 . 1 42 42 ALA N N 15 120.2823030578 . . . . . . . . 42 A N . 52091 1 189 . 1 . 1 43 43 GLU H H 1 8.6653516956 . . . . . . . . 43 E H . 52091 1 190 . 1 . 1 43 43 GLU C C 13 179.4406435657 . . . . . . . . 43 E C . 52091 1 191 . 1 . 1 43 43 GLU CA C 13 60.47210145 . . . . . . . . 43 E CA . 52091 1 192 . 1 . 1 43 43 GLU CB C 13 29.4298301847 . . . . . . . . 43 E CB . 52091 1 193 . 1 . 1 43 43 GLU N N 15 116.5357018559 . . . . . . . . 43 E N . 52091 1 194 . 1 . 1 44 44 ARG H H 1 7.3794348166 . . . . . . . . 44 R H . 52091 1 195 . 1 . 1 44 44 ARG C C 13 179.3498445703 . . . . . . . . 44 R C . 52091 1 196 . 1 . 1 44 44 ARG CA C 13 59.5680512216 . . . . . . . . 44 R CA . 52091 1 197 . 1 . 1 44 44 ARG CB C 13 30.0900319457 . . . . . . . . 44 R CB . 52091 1 198 . 1 . 1 44 44 ARG N N 15 118.9121432723 . . . . . . . . 44 R N . 52091 1 199 . 1 . 1 45 45 LYS H H 1 8.1238431652 . . . . . . . . 45 K H . 52091 1 200 . 1 . 1 45 45 LYS C C 13 178.1925267987 . . . . . . . . 45 K C . 52091 1 201 . 1 . 1 45 45 LYS CA C 13 58.2757641807 . . . . . . . . 45 K CA . 52091 1 202 . 1 . 1 45 45 LYS CB C 13 31.1659455331 . . . . . . . . 45 K CB . 52091 1 203 . 1 . 1 45 45 LYS N N 15 120.6484494951 . . . . . . . . 45 K N . 52091 1 204 . 1 . 1 46 46 PHE H H 1 9.4290966651 . . . . . . . . 46 F H . 52091 1 205 . 1 . 1 46 46 PHE C C 13 178.170054609 . . . . . . . . 46 F C . 52091 1 206 . 1 . 1 46 46 PHE CA C 13 62.1924904654 . . . . . . . . 46 F CA . 52091 1 207 . 1 . 1 46 46 PHE CB C 13 39.7744526543 . . . . . . . . 46 F CB . 52091 1 208 . 1 . 1 46 46 PHE N N 15 120.8104281734 . . . . . . . . 46 F N . 52091 1 209 . 1 . 1 47 47 LYS H H 1 7.7262803527 . . . . . . . . 47 K H . 52091 1 210 . 1 . 1 47 47 LYS C C 13 178.266172544 . . . . . . . . 47 K C . 52091 1 211 . 1 . 1 47 47 LYS CA C 13 59.5609834869 . . . . . . . . 47 K CA . 52091 1 212 . 1 . 1 47 47 LYS CB C 13 32.847821337 . . . . . . . . 47 K CB . 52091 1 213 . 1 . 1 47 47 LYS N N 15 118.7309898696 . . . . . . . . 47 K N . 52091 1 214 . 1 . 1 48 48 GLN H H 1 7.734420376 . . . . . . . . 48 Q H . 52091 1 215 . 1 . 1 48 48 GLN C C 13 178.6425851211 . . . . . . . . 48 Q C . 52091 1 216 . 1 . 1 48 48 GLN CA C 13 59.0944567094 . . . . . . . . 48 Q CA . 52091 1 217 . 1 . 1 48 48 GLN CB C 13 28.9271311695 . . . . . . . . 48 Q CB . 52091 1 218 . 1 . 1 48 48 GLN N N 15 119.4886748087 . . . . . . . . 48 Q N . 52091 1 219 . 1 . 1 49 49 VAL H H 1 8.4538567461 . . . . . . . . 49 V H . 52091 1 220 . 1 . 1 49 49 VAL C C 13 176.923462606 . . . . . . . . 49 V C . 52091 1 221 . 1 . 1 49 49 VAL CA C 13 66.0782910504 . . . . . . . . 49 V CA . 52091 1 222 . 1 . 1 49 49 VAL CB C 13 31.9126072487 . . . . . . . . 49 V CB . 52091 1 223 . 1 . 1 49 49 VAL N N 15 118.6108312677 . . . . . . . . 49 V N . 52091 1 224 . 1 . 1 50 50 ALA H H 1 7.2711310297 . . . . . . . . 50 A H . 52091 1 225 . 1 . 1 50 50 ALA C C 13 178.653821216 . . . . . . . . 50 A C . 52091 1 226 . 1 . 1 50 50 ALA CA C 13 55.6551502699 . . . . . . . . 50 A CA . 52091 1 227 . 1 . 1 50 50 ALA CB C 13 17.9135809487 . . . . . . . . 50 A CB . 52091 1 228 . 1 . 1 50 50 ALA N N 15 121.5877342645 . . . . . . . . 50 A N . 52091 1 229 . 1 . 1 51 51 GLU H H 1 7.5588671571 . . . . . . . . 51 E H . 52091 1 230 . 1 . 1 51 51 GLU C C 13 176.7212080397 . . . . . . . . 51 E C . 52091 1 231 . 1 . 1 51 51 GLU CA C 13 59.2962862647 . . . . . . . . 51 E CA . 52091 1 232 . 1 . 1 51 51 GLU CB C 13 29.5072425074 . . . . . . . . 51 E CB . 52091 1 233 . 1 . 1 51 51 GLU N N 15 118.5215426456 . . . . . . . . 51 E N . 52091 1 234 . 1 . 1 52 52 ALA H H 1 7.5503993378 . . . . . . . . 52 A H . 52091 1 235 . 1 . 1 52 52 ALA C C 13 178.6059661601 . . . . . . . . 52 A C . 52091 1 236 . 1 . 1 52 52 ALA CA C 13 54.0628868008 . . . . . . . . 52 A CA . 52091 1 237 . 1 . 1 52 52 ALA CB C 13 19.0775518889 . . . . . . . . 52 A CB . 52091 1 238 . 1 . 1 52 52 ALA N N 15 116.9787119345 . . . . . . . . 52 A N . 52091 1 239 . 1 . 1 53 53 TYR H H 1 8.0731239454 . . . . . . . . 53 Y H . 52091 1 240 . 1 . 1 53 53 TYR C C 13 177.8625635573 . . . . . . . . 53 Y C . 52091 1 241 . 1 . 1 53 53 TYR CA C 13 61.741996295 . . . . . . . . 53 Y CA . 52091 1 242 . 1 . 1 53 53 TYR CB C 13 39.6725251098 . . . . . . . . 53 Y CB . 52091 1 243 . 1 . 1 53 53 TYR N N 15 116.1068335844 . . . . . . . . 53 Y N . 52091 1 244 . 1 . 1 54 54 GLU H H 1 8.6164298892 . . . . . . . . 54 E H . 52091 1 245 . 1 . 1 54 54 GLU C C 13 177.7208748129 . . . . . . . . 54 E C . 52091 1 246 . 1 . 1 54 54 GLU CA C 13 61.6497787683 . . . . . . . . 54 E CA . 52091 1 247 . 1 . 1 54 54 GLU CB C 13 30.1463374598 . . . . . . . . 54 E CB . 52091 1 248 . 1 . 1 54 54 GLU N N 15 122.0040805293 . . . . . . . . 54 E N . 52091 1 249 . 1 . 1 55 55 VAL H H 1 7.0487464656 . . . . . . . . 55 V H . 52091 1 250 . 1 . 1 55 55 VAL C C 13 175.5872591482 . . . . . . . . 55 V C . 52091 1 251 . 1 . 1 55 55 VAL CA C 13 66.3464506648 . . . . . . . . 55 V CA . 52091 1 252 . 1 . 1 55 55 VAL CB C 13 31.5362347993 . . . . . . . . 55 V CB . 52091 1 253 . 1 . 1 55 55 VAL N N 15 114.8067555263 . . . . . . . . 55 V N . 52091 1 254 . 1 . 1 56 56 LEU H H 1 7.7255230964 . . . . . . . . 56 L H . 52091 1 255 . 1 . 1 56 56 LEU C C 13 177.418742612 . . . . . . . . 56 L C . 52091 1 256 . 1 . 1 56 56 LEU CA C 13 56.516668528 . . . . . . . . 56 L CA . 52091 1 257 . 1 . 1 56 56 LEU CB C 13 41.5469983119 . . . . . . . . 56 L CB . 52091 1 258 . 1 . 1 56 56 LEU N N 15 110.6096100527 . . . . . . . . 56 L N . 52091 1 259 . 1 . 1 57 57 SER H H 1 7.7964295667 . . . . . . . . 57 S H . 52091 1 260 . 1 . 1 57 57 SER C C 13 173.4233864022 . . . . . . . . 57 S C . 52091 1 261 . 1 . 1 57 57 SER CA C 13 59.175187007 . . . . . . . . 57 S CA . 52091 1 262 . 1 . 1 57 57 SER CB C 13 63.6417764311 . . . . . . . . 57 S CB . 52091 1 263 . 1 . 1 57 57 SER N N 15 109.5296396077 . . . . . . . . 57 S N . 52091 1 264 . 1 . 1 58 58 ASP H H 1 6.7804658074 . . . . . . . . 58 D H . 52091 1 265 . 1 . 1 58 58 ASP C C 13 174.6321955947 . . . . . . . . 58 D C . 52091 1 266 . 1 . 1 58 58 ASP CA C 13 52.1660040355 . . . . . . . . 58 D CA . 52091 1 267 . 1 . 1 58 58 ASP CB C 13 43.380675316 . . . . . . . . 58 D CB . 52091 1 268 . 1 . 1 58 58 ASP N N 15 124.6484570854 . . . . . . . . 58 D N . 52091 1 269 . 1 . 1 59 59 ALA H H 1 8.7710613 . . . . . . . . 59 A H . 52091 1 270 . 1 . 1 59 59 ALA C C 13 179.925129899 . . . . . . . . 59 A C . 52091 1 271 . 1 . 1 59 59 ALA CA C 13 55.7232284883 . . . . . . . . 59 A CA . 52091 1 272 . 1 . 1 59 59 ALA CB C 13 18.5445255743 . . . . . . . . 59 A CB . 52091 1 273 . 1 . 1 59 59 ALA N N 15 127.724615266 . . . . . . . . 59 A N . 52091 1 274 . 1 . 1 60 60 LYS H H 1 7.8916878033 . . . . . . . . 60 K H . 52091 1 275 . 1 . 1 60 60 LYS C C 13 179.5059070066 . . . . . . . . 60 K C . 52091 1 276 . 1 . 1 60 60 LYS CA C 13 59.119821743 . . . . . . . . 60 K CA . 52091 1 277 . 1 . 1 60 60 LYS CB C 13 32.0249661619 . . . . . . . . 60 K CB . 52091 1 278 . 1 . 1 60 60 LYS N N 15 116.0199905034 . . . . . . . . 60 K N . 52091 1 279 . 1 . 1 61 61 LYS H H 1 8.012830517 . . . . . . . . 61 K H . 52091 1 280 . 1 . 1 61 61 LYS C C 13 178.1622437295 . . . . . . . . 61 K C . 52091 1 281 . 1 . 1 61 61 LYS CA C 13 60.1568535055 . . . . . . . . 61 K CA . 52091 1 282 . 1 . 1 61 61 LYS CB C 13 33.13433765 . . . . . . . . 61 K CB . 52091 1 283 . 1 . 1 61 61 LYS N N 15 120.0856946774 . . . . . . . . 61 K N . 52091 1 284 . 1 . 1 62 62 ARG H H 1 9.191335711 . . . . . . . . 62 R H . 52091 1 285 . 1 . 1 62 62 ARG C C 13 177.371555509 . . . . . . . . 62 R C . 52091 1 286 . 1 . 1 62 62 ARG CA C 13 60.5333689881 . . . . . . . . 62 R CA . 52091 1 287 . 1 . 1 62 62 ARG CB C 13 29.7975501176 . . . . . . . . 62 R CB . 52091 1 288 . 1 . 1 62 62 ARG N N 15 121.2750463928 . . . . . . . . 62 R N . 52091 1 289 . 1 . 1 63 63 ASP H H 1 7.5384778602 . . . . . . . . 63 D H . 52091 1 290 . 1 . 1 63 63 ASP C C 13 178.6059661601 . . . . . . . . 63 D C . 52091 1 291 . 1 . 1 63 63 ASP CA C 13 57.6157319495 . . . . . . . . 63 D CA . 52091 1 292 . 1 . 1 63 63 ASP CB C 13 41.6533524093 . . . . . . . . 63 D CB . 52091 1 293 . 1 . 1 63 63 ASP N N 15 116.9680881718 . . . . . . . . 63 D N . 52091 1 294 . 1 . 1 64 64 ILE H H 1 7.3845488602 . . . . . . . . 64 I H . 52091 1 295 . 1 . 1 64 64 ILE C C 13 177.9749754667 . . . . . . . . 64 I C . 52091 1 296 . 1 . 1 64 64 ILE CA C 13 64.4663301794 . . . . . . . . 64 I CA . 52091 1 297 . 1 . 1 64 64 ILE CB C 13 37.7721239319 . . . . . . . . 64 I CB . 52091 1 298 . 1 . 1 64 64 ILE N N 15 118.1823586877 . . . . . . . . 64 I N . 52091 1 299 . 1 . 1 65 65 TYR H H 1 8.8393560389 . . . . . . . . 65 Y H . 52091 1 300 . 1 . 1 65 65 TYR C C 13 178.651221971 . . . . . . . . 65 Y C . 52091 1 301 . 1 . 1 65 65 TYR CA C 13 61.7143068206 . . . . . . . . 65 Y CA . 52091 1 302 . 1 . 1 65 65 TYR CB C 13 38.8687807699 . . . . . . . . 65 Y CB . 52091 1 303 . 1 . 1 65 65 TYR N N 15 122.0774130567 . . . . . . . . 65 Y N . 52091 1 304 . 1 . 1 66 66 ASP H H 1 9.3103105148 . . . . . . . . 66 D H . 52091 1 305 . 1 . 1 66 66 ASP C C 13 178.3911271617 . . . . . . . . 66 D C . 52091 1 306 . 1 . 1 66 66 ASP CA C 13 57.0944668003 . . . . . . . . 66 D CA . 52091 1 307 . 1 . 1 66 66 ASP CB C 13 40.1000302876 . . . . . . . . 66 D CB . 52091 1 308 . 1 . 1 66 66 ASP N N 15 120.8858350044 . . . . . . . . 66 D N . 52091 1 309 . 1 . 1 67 67 LYS H H 1 7.4722678686 . . . . . . . . 67 K H . 52091 1 310 . 1 . 1 67 67 LYS C C 13 177.9957830515 . . . . . . . . 67 K C . 52091 1 311 . 1 . 1 67 67 LYS CA C 13 58.6370824617 . . . . . . . . 67 K CA . 52091 1 312 . 1 . 1 67 67 LYS CB C 13 33.5173847416 . . . . . . . . 67 K CB . 52091 1 313 . 1 . 1 67 67 LYS N N 15 118.1489980395 . . . . . . . . 67 K N . 52091 1 314 . 1 . 1 68 68 TYR H H 1 8.3105312098 . . . . . . . . 68 Y H . 52091 1 315 . 1 . 1 68 68 TYR C C 13 177.0022339895 . . . . . . . . 68 Y C . 52091 1 316 . 1 . 1 68 68 TYR CA C 13 58.5600196183 . . . . . . . . 68 Y CA . 52091 1 317 . 1 . 1 68 68 TYR CB C 13 39.9986694306 . . . . . . . . 68 Y CB . 52091 1 318 . 1 . 1 68 68 TYR N N 15 116.856747081 . . . . . . . . 68 Y N . 52091 1 319 . 1 . 1 69 69 GLY H H 1 8.1548575116 . . . . . . . . 69 G H . 52091 1 320 . 1 . 1 69 69 GLY C C 13 174.2296239641 . . . . . . . . 69 G C . 52091 1 321 . 1 . 1 69 69 GLY CA C 13 45.3150197873 . . . . . . . . 69 G CA . 52091 1 322 . 1 . 1 69 69 GLY N N 15 109.7694520794 . . . . . . . . 69 G N . 52091 1 323 . 1 . 1 70 70 LYS H H 1 8.4094013625 . . . . . . . . 70 K H . 52091 1 324 . 1 . 1 70 70 LYS C C 13 178.1934688585 . . . . . . . . 70 K C . 52091 1 325 . 1 . 1 70 70 LYS CA C 13 58.8500592833 . . . . . . . . 70 K CA . 52091 1 326 . 1 . 1 70 70 LYS CB C 13 32.688269874 . . . . . . . . 70 K CB . 52091 1 327 . 1 . 1 70 70 LYS N N 15 120.4922818034 . . . . . . . . 70 K N . 52091 1 328 . 1 . 1 71 71 GLU H H 1 8.7039432742 . . . . . . . . 71 E H . 52091 1 329 . 1 . 1 71 71 GLU C C 13 178.2038776875 . . . . . . . . 71 E C . 52091 1 330 . 1 . 1 71 71 GLU CA C 13 58.4143709333 . . . . . . . . 71 E CA . 52091 1 331 . 1 . 1 71 71 GLU CB C 13 29.3618557023 . . . . . . . . 71 E CB . 52091 1 332 . 1 . 1 71 71 GLU N N 15 118.4613759636 . . . . . . . . 71 E N . 52091 1 333 . 1 . 1 72 72 GLY H H 1 7.7621743109 . . . . . . . . 72 G H . 52091 1 334 . 1 . 1 72 72 GLY C C 13 174.48972381 . . . . . . . . 72 G C . 52091 1 335 . 1 . 1 72 72 GLY CA C 13 45.8810889192 . . . . . . . . 72 G CA . 52091 1 336 . 1 . 1 72 72 GLY N N 15 106.3417766375 . . . . . . . . 72 G N . 52091 1 337 . 1 . 1 73 73 LEU H H 1 7.7262335697 . . . . . . . . 73 L H . 52091 1 338 . 1 . 1 73 73 LEU C C 13 177.0093143505 . . . . . . . . 73 L C . 52091 1 339 . 1 . 1 73 73 LEU CA C 13 55.6234904492 . . . . . . . . 73 L CA . 52091 1 340 . 1 . 1 73 73 LEU CB C 13 41.9784211704 . . . . . . . . 73 L CB . 52091 1 341 . 1 . 1 73 73 LEU N N 15 119.9148224037 . . . . . . . . 73 L N . 52091 1 342 . 1 . 1 74 74 ASN H H 1 7.9349687412 . . . . . . . . 74 N H . 52091 1 343 . 1 . 1 74 74 ASN C C 13 175.7589864796 . . . . . . . . 74 N C . 52091 1 344 . 1 . 1 74 74 ASN CA C 13 53.4381575012 . . . . . . . . 74 N CA . 52091 1 345 . 1 . 1 74 74 ASN CB C 13 39.0036073889 . . . . . . . . 74 N CB . 52091 1 346 . 1 . 1 74 74 ASN N N 15 116.9449637388 . . . . . . . . 74 N N . 52091 1 347 . 1 . 1 75 75 GLY H H 1 8.0706800728 . . . . . . . . 75 G H . 52091 1 348 . 1 . 1 75 75 GLY C C 13 173.8394773602 . . . . . . . . 75 G C . 52091 1 349 . 1 . 1 75 75 GLY CA C 13 45.3598057827 . . . . . . . . 75 G CA . 52091 1 350 . 1 . 1 75 75 GLY N N 15 108.2978924839 . . . . . . . . 75 G N . 52091 1 351 . 1 . 1 76 76 GLY H H 1 8.1523666194 . . . . . . . . 76 G H . 52091 1 352 . 1 . 1 76 76 GLY C C 13 174.7133986214 . . . . . . . . 76 G C . 52091 1 353 . 1 . 1 76 76 GLY CA C 13 45.4184325366 . . . . . . . . 76 G CA . 52091 1 354 . 1 . 1 76 76 GLY N N 15 108.3881090091 . . . . . . . . 76 G N . 52091 1 355 . 1 . 1 77 77 GLY H H 1 8.1523666194 . . . . . . . . 77 G H . 52091 1 356 . 1 . 1 77 77 GLY CA C 13 45.4798954129 . . . . . . . . 77 G CA . 52091 1 357 . 1 . 1 77 77 GLY N N 15 108.3881090091 . . . . . . . . 77 G N . 52091 1 358 . 1 . 1 78 78 GLY H H 1 8.3938265175 . . . . . . . . 78 G H . 52091 1 359 . 1 . 1 78 78 GLY C C 13 174.7100751568 . . . . . . . . 78 G C . 52091 1 360 . 1 . 1 78 78 GLY CA C 13 45.5466840714 . . . . . . . . 78 G CA . 52091 1 361 . 1 . 1 78 78 GLY N N 15 108.3881090091 . . . . . . . . 78 G N . 52091 1 362 . 1 . 1 79 79 GLY H H 1 8.2333974178 . . . . . . . . 79 G H . 52091 1 363 . 1 . 1 79 79 GLY C C 13 174.7492612703 . . . . . . . . 79 G C . 52091 1 364 . 1 . 1 79 79 GLY CA C 13 45.2802116808 . . . . . . . . 79 G CA . 52091 1 365 . 1 . 1 79 79 GLY N N 15 108.6316034805 . . . . . . . . 79 G N . 52091 1 366 . 1 . 1 80 80 GLY C C 13 174.7492612703 . . . . . . . . 80 G C . 52091 1 367 . 1 . 1 82 82 HIS CA C 13 56.5026658227 . . . . . . . . 82 H CA . 52091 1 368 . 1 . 1 82 82 HIS CB C 13 30.7111363113 . . . . . . . . 82 H CB . 52091 1 369 . 1 . 1 83 83 PHE H H 1 7.864649637 . . . . . . . . 83 F H . 52091 1 370 . 1 . 1 83 83 PHE C C 13 175.1374279354 . . . . . . . . 83 F C . 52091 1 371 . 1 . 1 83 83 PHE CA C 13 57.5911860506 . . . . . . . . 83 F CA . 52091 1 372 . 1 . 1 83 83 PHE CB C 13 39.4254961788 . . . . . . . . 83 F CB . 52091 1 373 . 1 . 1 83 83 PHE N N 15 120.297137201 . . . . . . . . 83 F N . 52091 1 374 . 1 . 1 84 84 ASP H H 1 8.2054313939 . . . . . . . . 84 D H . 52091 1 375 . 1 . 1 84 84 ASP C C 13 175.4760414092 . . . . . . . . 84 D C . 52091 1 376 . 1 . 1 84 84 ASP CA C 13 54.2167307332 . . . . . . . . 84 D CA . 52091 1 377 . 1 . 1 84 84 ASP CB C 13 41.0536461567 . . . . . . . . 84 D CB . 52091 1 378 . 1 . 1 84 84 ASP N N 15 121.0440491699 . . . . . . . . 84 D N . 52091 1 379 . 1 . 1 85 85 SER H H 1 7.8909345586 . . . . . . . . 85 S H . 52091 1 380 . 1 . 1 85 85 SER CA C 13 59.1165285133 . . . . . . . . 85 S CA . 52091 1 381 . 1 . 1 85 85 SER CB C 13 64.032697236 . . . . . . . . 85 S CB . 52091 1 382 . 1 . 1 85 85 SER N N 15 115.7052983642 . . . . . . . . 85 S N . 52091 1 383 . 1 . 1 86 86 PRO CA C 13 57.1968010207 . . . . . . . . 86 P CA . 52091 1 384 . 1 . 1 86 86 PRO CB C 13 30.0599651602 . . . . . . . . 86 P CB . 52091 1 385 . 1 . 1 87 87 PHE H H 1 7.8628758991 . . . . . . . . 87 F H . 52091 1 386 . 1 . 1 87 87 PHE C C 13 175.9142790129 . . . . . . . . 87 F C . 52091 1 387 . 1 . 1 87 87 PHE CA C 13 57.5534507242 . . . . . . . . 87 F CA . 52091 1 388 . 1 . 1 87 87 PHE CB C 13 39.1444922173 . . . . . . . . 87 F CB . 52091 1 389 . 1 . 1 87 87 PHE N N 15 119.0844421951 . . . . . . . . 87 F N . 52091 1 390 . 1 . 1 88 88 GLU H H 1 8.1283984247 . . . . . . . . 88 E H . 52091 1 391 . 1 . 1 88 88 GLU C C 13 175.9767017672 . . . . . . . . 88 E C . 52091 1 392 . 1 . 1 88 88 GLU CA C 13 57.3374783974 . . . . . . . . 88 E CA . 52091 1 393 . 1 . 1 88 88 GLU CB C 13 29.9533893716 . . . . . . . . 88 E CB . 52091 1 394 . 1 . 1 88 88 GLU N N 15 121.5748278441 . . . . . . . . 88 E N . 52091 1 395 . 1 . 1 89 89 PHE H H 1 7.8716720432 . . . . . . . . 89 F H . 52091 1 396 . 1 . 1 89 89 PHE C C 13 175.9871055596 . . . . . . . . 89 F C . 52091 1 397 . 1 . 1 89 89 PHE CA C 13 57.5289295691 . . . . . . . . 89 F CA . 52091 1 398 . 1 . 1 89 89 PHE CB C 13 39.2014817662 . . . . . . . . 89 F CB . 52091 1 399 . 1 . 1 89 89 PHE N N 15 119.1528872868 . . . . . . . . 89 F N . 52091 1 400 . 1 . 1 90 90 GLY H H 1 8.0130867652 . . . . . . . . 90 G H . 52091 1 401 . 1 . 1 90 90 GLY C C 13 173.4797915975 . . . . . . . . 90 G C . 52091 1 402 . 1 . 1 90 90 GLY CA C 13 45.2669767579 . . . . . . . . 90 G CA . 52091 1 403 . 1 . 1 90 90 GLY N N 15 109.2004080025 . . . . . . . . 90 G N . 52091 1 404 . 1 . 1 91 91 ILE H H 1 7.6904090173 . . . . . . . . 91 I H . 52091 1 405 . 1 . 1 91 91 ILE C C 13 176.1535662375 . . . . . . . . 91 I C . 52091 1 406 . 1 . 1 91 91 ILE CA C 13 54.882 . . . . . . . . 91 I CA . 52091 1 407 . 1 . 1 91 91 ILE CB C 13 42.4940946827 . . . . . . . . 91 I CB . 52091 1 408 . 1 . 1 91 91 ILE N N 15 121.2349096847 . . . . . . . . 91 I N . 52091 1 409 . 1 . 1 92 92 THR H H 1 7.7100513 . . . . . . . . 92 T H . 52091 1 410 . 1 . 1 92 92 THR C C 13 173.3341385042 . . . . . . . . 92 T C . 52091 1 411 . 1 . 1 92 92 THR CA C 13 60.8928826496 . . . . . . . . 92 T CA . 52091 1 412 . 1 . 1 92 92 THR CB C 13 70.1933215739 . . . . . . . . 92 T CB . 52091 1 413 . 1 . 1 92 92 THR N N 15 116.0938766198 . . . . . . . . 92 T N . 52091 1 414 . 1 . 1 93 93 PHE H H 1 8.2424723068 . . . . . . . . 93 F H . 52091 1 415 . 1 . 1 93 93 PHE C C 13 176.4032572545 . . . . . . . . 93 F C . 52091 1 416 . 1 . 1 93 93 PHE CA C 13 58.0494523914 . . . . . . . . 93 F CA . 52091 1 417 . 1 . 1 93 93 PHE CB C 13 40.4597007078 . . . . . . . . 93 F CB . 52091 1 418 . 1 . 1 93 93 PHE N N 15 123.1776798495 . . . . . . . . 93 F N . 52091 1 419 . 1 . 1 94 94 ARG H H 1 9.9995385667 . . . . . . . . 94 R H . 52091 1 420 . 1 . 1 94 94 ARG C C 13 176.6373573486 . . . . . . . . 94 R C . 52091 1 421 . 1 . 1 94 94 ARG CA C 13 55.9131945368 . . . . . . . . 94 R CA . 52091 1 422 . 1 . 1 94 94 ARG CB C 13 32.4934065349 . . . . . . . . 94 R CB . 52091 1 423 . 1 . 1 94 94 ARG N N 15 123.9524577296 . . . . . . . . 94 R N . 52091 1 424 . 1 . 1 95 95 ASN H H 1 8.8660396172 . . . . . . . . 95 N H . 52091 1 425 . 1 . 1 95 95 ASN C C 13 175.9403032595 . . . . . . . . 95 N C . 52091 1 426 . 1 . 1 95 95 ASN CA C 13 51.8876063837 . . . . . . . . 95 N CA . 52091 1 427 . 1 . 1 95 95 ASN CB C 13 38.7119952256 . . . . . . . . 95 N CB . 52091 1 428 . 1 . 1 95 95 ASN N N 15 121.5630790975 . . . . . . . . 95 N N . 52091 1 429 . 1 . 1 96 96 PRO CA C 13 65.3343114468 . . . . . . . . 96 P CA . 52091 1 430 . 1 . 1 96 96 PRO CB C 13 32.688996344 . . . . . . . . 96 P CB . 52091 1 431 . 1 . 1 97 97 ASP H H 1 8.7274471672 . . . . . . . . 97 D H . 52091 1 432 . 1 . 1 97 97 ASP C C 13 178.5273189414 . . . . . . . . 97 D C . 52091 1 433 . 1 . 1 97 97 ASP CA C 13 57.5548052068 . . . . . . . . 97 D CA . 52091 1 434 . 1 . 1 97 97 ASP CB C 13 40.7868607579 . . . . . . . . 97 D CB . 52091 1 435 . 1 . 1 97 97 ASP N N 15 118.3994026551 . . . . . . . . 97 D N . 52091 1 436 . 1 . 1 98 98 ASP H H 1 7.6971089393 . . . . . . . . 98 D H . 52091 1 437 . 1 . 1 98 98 ASP C C 13 178.6191472625 . . . . . . . . 98 D C . 52091 1 438 . 1 . 1 98 98 ASP CA C 13 57.3199193031 . . . . . . . . 98 D CA . 52091 1 439 . 1 . 1 98 98 ASP CB C 13 40.4010332844 . . . . . . . . 98 D CB . 52091 1 440 . 1 . 1 98 98 ASP N N 15 121.2461496661 . . . . . . . . 98 D N . 52091 1 441 . 1 . 1 99 99 VAL H H 1 7.347767698 . . . . . . . . 99 V H . 52091 1 442 . 1 . 1 99 99 VAL C C 13 177.6604835894 . . . . . . . . 99 V C . 52091 1 443 . 1 . 1 99 99 VAL CA C 13 66.6838036656 . . . . . . . . 99 V CA . 52091 1 444 . 1 . 1 99 99 VAL CB C 13 32.0109187725 . . . . . . . . 99 V CB . 52091 1 445 . 1 . 1 99 99 VAL N N 15 121.0531014076 . . . . . . . . 99 V N . 52091 1 446 . 1 . 1 100 100 PHE H H 1 7.8158662185 . . . . . . . . 100 F H . 52091 1 447 . 1 . 1 100 100 PHE C C 13 177.438075996 . . . . . . . . 100 F C . 52091 1 448 . 1 . 1 100 100 PHE CA C 13 61.7358191311 . . . . . . . . 100 F CA . 52091 1 449 . 1 . 1 100 100 PHE CB C 13 40.3099134557 . . . . . . . . 100 F CB . 52091 1 450 . 1 . 1 100 100 PHE N N 15 120.3587665254 . . . . . . . . 100 F N . 52091 1 451 . 1 . 1 101 101 ARG H H 1 8.4860400028 . . . . . . . . 101 R H . 52091 1 452 . 1 . 1 101 101 ARG C C 13 179.4524832079 . . . . . . . . 101 R C . 52091 1 453 . 1 . 1 101 101 ARG CA C 13 59.4654275402 . . . . . . . . 101 R CA . 52091 1 454 . 1 . 1 101 101 ARG CB C 13 30.4653533101 . . . . . . . . 101 R CB . 52091 1 455 . 1 . 1 101 101 ARG N N 15 118.8888819568 . . . . . . . . 101 R N . 52091 1 456 . 1 . 1 102 102 GLU H H 1 7.9734556362 . . . . . . . . 102 E H . 52091 1 457 . 1 . 1 102 102 GLU C C 13 178.1297590258 . . . . . . . . 102 E C . 52091 1 458 . 1 . 1 102 102 GLU CA C 13 59.1207380518 . . . . . . . . 102 E CA . 52091 1 459 . 1 . 1 102 102 GLU CB C 13 29.7240106855 . . . . . . . . 102 E CB . 52091 1 460 . 1 . 1 102 102 GLU N N 15 118.6046948149 . . . . . . . . 102 E N . 52091 1 461 . 1 . 1 103 103 PHE H H 1 8.142 . . . . . . . . 103 F H . 52091 1 462 . 1 . 1 103 103 PHE C C 13 177.6018873211 . . . . . . . . 103 F C . 52091 1 463 . 1 . 1 103 103 PHE CA C 13 61.2326974869 . . . . . . . . 103 F CA . 52091 1 464 . 1 . 1 103 103 PHE CB C 13 40.1464491785 . . . . . . . . 103 F CB . 52091 1 465 . 1 . 1 103 103 PHE N N 15 120.338 . . . . . . . . 103 F N . 52091 1 466 . 1 . 1 104 104 PHE H H 1 8.3085297745 . . . . . . . . 104 F H . 52091 1 467 . 1 . 1 104 104 PHE C C 13 176.7492997566 . . . . . . . . 104 F C . 52091 1 468 . 1 . 1 104 104 PHE CA C 13 60.379670317 . . . . . . . . 104 F CA . 52091 1 469 . 1 . 1 104 104 PHE CB C 13 38.88756584 . . . . . . . . 104 F CB . 52091 1 470 . 1 . 1 104 104 PHE N N 15 114.8896454008 . . . . . . . . 104 F N . 52091 1 471 . 1 . 1 105 105 GLY H H 1 7.7870804374 . . . . . . . . 105 G H . 52091 1 472 . 1 . 1 105 105 GLY C C 13 174.4892600831 . . . . . . . . 105 G C . 52091 1 473 . 1 . 1 105 105 GLY CA C 13 45.8377352099 . . . . . . . . 105 G CA . 52091 1 474 . 1 . 1 105 105 GLY N N 15 108.6764275961 . . . . . . . . 105 G N . 52091 1 475 . 1 . 1 106 106 GLY H H 1 8.050181829 . . . . . . . . 106 G H . 52091 1 476 . 1 . 1 106 106 GLY C C 13 173.8218360068 . . . . . . . . 106 G C . 52091 1 477 . 1 . 1 106 106 GLY CA C 13 45.2281415088 . . . . . . . . 106 G CA . 52091 1 478 . 1 . 1 106 106 GLY N N 15 108.2268775029 . . . . . . . . 106 G N . 52091 1 479 . 1 . 1 107 107 ARG H H 1 8.104954054 . . . . . . . . 107 R H . 52091 1 480 . 1 . 1 107 107 ARG C C 13 175.0231883312 . . . . . . . . 107 R C . 52091 1 481 . 1 . 1 107 107 ARG CA C 13 55.7029543486 . . . . . . . . 107 R CA . 52091 1 482 . 1 . 1 107 107 ARG CB C 13 31.1048936443 . . . . . . . . 107 R CB . 52091 1 483 . 1 . 1 107 107 ARG N N 15 120.2289166927 . . . . . . . . 107 R N . 52091 1 484 . 1 . 1 108 108 ASP H H 1 7.9294010533 . . . . . . . . 108 D H . 52091 1 485 . 1 . 1 108 108 ASP C C 13 180.714495454 . . . . . . . . 108 D C . 52091 1 486 . 1 . 1 108 108 ASP CA C 13 55.7029543486 . . . . . . . . 108 D CA . 52091 1 487 . 1 . 1 108 108 ASP CB C 13 42.1279288144 . . . . . . . . 108 D CB . 52091 1 488 . 1 . 1 108 108 ASP N N 15 126.3774759829 . . . . . . . . 108 D N . 52091 1 stop_ save_