data_52065 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52065 _Entry.Title ; DNAJB6 JD-GF F89I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-01 _Entry.Accession_date 2023-08-01 _Entry.Last_release_date 2023-08-01 _Entry.Original_release_date 2023-08-01 _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 . . . . 52065 2 Yehuda Salzberg . . . . 52065 3 Meital Oren . . . . 52065 4 Rina Rosenzweig . . . . 52065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 295 52065 '15N chemical shifts' 97 52065 '1H chemical shifts' 97 52065 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 2023-08-01 update BMRB 'update entry citation' 52065 1 . . 2023-10-30 2023-08-01 original author 'original release' 52065 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51996 'DNAJB6 J-domain' 52065 BMRB 51997 'DNAJB6_JD-GF A50V' 52065 BMRB 52091 'DNAJB6 JD-GF F91I' 52065 BMRB 52098 'DNAJB6 JD-GF F100V' 52065 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52065 _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. . . . 52065 1 2 Yehuda Salzberg Y. . . . 52065 1 3 Dar Gliksberg D. . . . 52065 1 4 Meital Oren-Suissa M. . . . 52065 1 5 Rina Rosenzweig R. . . . 52065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52065 _Assembly.ID 1 _Assembly.Name 'DNAJB6 JD-GF F89I' _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 F89I' 1 $entity_1 . . yes native no no . . . 52065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52065 _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 SHFDSPFEIGFTFRNPDDVF 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 'all free' _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 . 52065 1 2 . VAL . 52065 1 3 . ASP . 52065 1 4 . TYR . 52065 1 5 . TYR . 52065 1 6 . GLU . 52065 1 7 . VAL . 52065 1 8 . LEU . 52065 1 9 . GLY . 52065 1 10 . VAL . 52065 1 11 . GLN . 52065 1 12 . ARG . 52065 1 13 . HIS . 52065 1 14 . ALA . 52065 1 15 . SER . 52065 1 16 . PRO . 52065 1 17 . GLU . 52065 1 18 . ASP . 52065 1 19 . ILE . 52065 1 20 . LYS . 52065 1 21 . LYS . 52065 1 22 . ALA . 52065 1 23 . TYR . 52065 1 24 . ARG . 52065 1 25 . LYS . 52065 1 26 . LEU . 52065 1 27 . ALA . 52065 1 28 . LEU . 52065 1 29 . LYS . 52065 1 30 . TRP . 52065 1 31 . HIS . 52065 1 32 . PRO . 52065 1 33 . ASP . 52065 1 34 . LYS . 52065 1 35 . ASN . 52065 1 36 . PRO . 52065 1 37 . GLU . 52065 1 38 . ASN . 52065 1 39 . LYS . 52065 1 40 . GLU . 52065 1 41 . GLU . 52065 1 42 . ALA . 52065 1 43 . GLU . 52065 1 44 . ARG . 52065 1 45 . LYS . 52065 1 46 . PHE . 52065 1 47 . LYS . 52065 1 48 . GLN . 52065 1 49 . VAL . 52065 1 50 . ALA . 52065 1 51 . GLU . 52065 1 52 . ALA . 52065 1 53 . TYR . 52065 1 54 . GLU . 52065 1 55 . VAL . 52065 1 56 . LEU . 52065 1 57 . SER . 52065 1 58 . ASP . 52065 1 59 . ALA . 52065 1 60 . LYS . 52065 1 61 . LYS . 52065 1 62 . ARG . 52065 1 63 . ASP . 52065 1 64 . ILE . 52065 1 65 . TYR . 52065 1 66 . ASP . 52065 1 67 . LYS . 52065 1 68 . TYR . 52065 1 69 . GLY . 52065 1 70 . LYS . 52065 1 71 . GLU . 52065 1 72 . GLY . 52065 1 73 . LEU . 52065 1 74 . ASN . 52065 1 75 . GLY . 52065 1 76 . GLY . 52065 1 77 . GLY . 52065 1 78 . GLY . 52065 1 79 . GLY . 52065 1 80 . GLY . 52065 1 81 . SER . 52065 1 82 . HIS . 52065 1 83 . PHE . 52065 1 84 . ASP . 52065 1 85 . SER . 52065 1 86 . PRO . 52065 1 87 . PHE . 52065 1 88 . GLU . 52065 1 89 . ILE . 52065 1 90 . GLY . 52065 1 91 . PHE . 52065 1 92 . THR . 52065 1 93 . PHE . 52065 1 94 . ARG . 52065 1 95 . ASN . 52065 1 96 . PRO . 52065 1 97 . ASP . 52065 1 98 . ASP . 52065 1 99 . VAL . 52065 1 100 . PHE . 52065 1 101 . ARG . 52065 1 102 . GLU . 52065 1 103 . PHE . 52065 1 104 . PHE . 52065 1 105 . GLY . 52065 1 106 . GLY . 52065 1 107 . ARG . 52065 1 108 . ASP . 52065 1 109 . PRO . 52065 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 52065 1 . VAL 2 2 52065 1 . ASP 3 3 52065 1 . TYR 4 4 52065 1 . TYR 5 5 52065 1 . GLU 6 6 52065 1 . VAL 7 7 52065 1 . LEU 8 8 52065 1 . GLY 9 9 52065 1 . VAL 10 10 52065 1 . GLN 11 11 52065 1 . ARG 12 12 52065 1 . HIS 13 13 52065 1 . ALA 14 14 52065 1 . SER 15 15 52065 1 . PRO 16 16 52065 1 . GLU 17 17 52065 1 . ASP 18 18 52065 1 . ILE 19 19 52065 1 . LYS 20 20 52065 1 . LYS 21 21 52065 1 . ALA 22 22 52065 1 . TYR 23 23 52065 1 . ARG 24 24 52065 1 . LYS 25 25 52065 1 . LEU 26 26 52065 1 . ALA 27 27 52065 1 . LEU 28 28 52065 1 . LYS 29 29 52065 1 . TRP 30 30 52065 1 . HIS 31 31 52065 1 . PRO 32 32 52065 1 . ASP 33 33 52065 1 . LYS 34 34 52065 1 . ASN 35 35 52065 1 . PRO 36 36 52065 1 . GLU 37 37 52065 1 . ASN 38 38 52065 1 . LYS 39 39 52065 1 . GLU 40 40 52065 1 . GLU 41 41 52065 1 . ALA 42 42 52065 1 . GLU 43 43 52065 1 . ARG 44 44 52065 1 . LYS 45 45 52065 1 . PHE 46 46 52065 1 . LYS 47 47 52065 1 . GLN 48 48 52065 1 . VAL 49 49 52065 1 . ALA 50 50 52065 1 . GLU 51 51 52065 1 . ALA 52 52 52065 1 . TYR 53 53 52065 1 . GLU 54 54 52065 1 . VAL 55 55 52065 1 . LEU 56 56 52065 1 . SER 57 57 52065 1 . ASP 58 58 52065 1 . ALA 59 59 52065 1 . LYS 60 60 52065 1 . LYS 61 61 52065 1 . ARG 62 62 52065 1 . ASP 63 63 52065 1 . ILE 64 64 52065 1 . TYR 65 65 52065 1 . ASP 66 66 52065 1 . LYS 67 67 52065 1 . TYR 68 68 52065 1 . GLY 69 69 52065 1 . LYS 70 70 52065 1 . GLU 71 71 52065 1 . GLY 72 72 52065 1 . LEU 73 73 52065 1 . ASN 74 74 52065 1 . GLY 75 75 52065 1 . GLY 76 76 52065 1 . GLY 77 77 52065 1 . GLY 78 78 52065 1 . GLY 79 79 52065 1 . GLY 80 80 52065 1 . SER 81 81 52065 1 . HIS 82 82 52065 1 . PHE 83 83 52065 1 . ASP 84 84 52065 1 . SER 85 85 52065 1 . PRO 86 86 52065 1 . PHE 87 87 52065 1 . GLU 88 88 52065 1 . ILE 89 89 52065 1 . GLY 90 90 52065 1 . PHE 91 91 52065 1 . THR 92 92 52065 1 . PHE 93 93 52065 1 . ARG 94 94 52065 1 . ASN 95 95 52065 1 . PRO 96 96 52065 1 . ASP 97 97 52065 1 . ASP 98 98 52065 1 . VAL 99 99 52065 1 . PHE 100 100 52065 1 . ARG 101 101 52065 1 . GLU 102 102 52065 1 . PHE 103 103 52065 1 . PHE 104 104 52065 1 . GLY 105 105 52065 1 . GLY 106 106 52065 1 . ARG 107 107 52065 1 . ASP 108 108 52065 1 . PRO 109 109 52065 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 52065 _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 . . . . . . . . . . . . . 52065 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 52065 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 52065 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52065 _Sample.ID 1 _Sample.Name 'DNAJB6 JD-GF F89I' _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 F89I' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.1 . . mM . . . . 52065 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 52065 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'DNAJB6 JD-GF F89I' _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 52065 1 pH 7.4 . pH 52065 1 pressure 1 . atm 52065 1 temperature 298 . K 52065 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52065 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52065 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52065 _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 'data analysis' . 52065 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 52065 _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 52065 _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 . . . . . . . . . . . . . . . . . 52065 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52065 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52065 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52065 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52065 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 52065 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DNAJB6 JD-GF F89I' _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 . . . . . 52065 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52065 1 N 15 urea nitrogen . . . . ppm 71 external direct 1 . . . . . 52065 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 52065 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DNAJB6 JD-GF F89I' _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 HNCACB' . . . 52065 1 3 '3D CBCA(CO)NH' . . . 52065 1 4 '3D HN(CA)CO' . . . 52065 1 5 '3D HNCO' . . . 52065 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 . . 52065 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 CA C 13 62.0009092658 . . . . . . . . 2 V CA . 52065 1 2 . 1 . 1 2 2 VAL CB C 13 32.9027978415 . . . . . . . . 2 V CB . 52065 1 3 . 1 . 1 3 3 ASP H H 1 8.4509595387 . . . . . . . . 3 D H . 52065 1 4 . 1 . 1 3 3 ASP C C 13 176.7407524146 . . . . . . . . 3 D C . 52065 1 5 . 1 . 1 3 3 ASP CA C 13 52.5252584188 . . . . . . . . 3 D CA . 52065 1 6 . 1 . 1 3 3 ASP CB C 13 41.7622628069 . . . . . . . . 3 D CB . 52065 1 7 . 1 . 1 3 3 ASP N N 15 125.1702020816 . . . . . . . . 3 D N . 52065 1 8 . 1 . 1 4 4 TYR H H 1 7.695104716 . . . . . . . . 4 Y H . 52065 1 9 . 1 . 1 4 4 TYR C C 13 177.1424295984 . . . . . . . . 4 Y C . 52065 1 10 . 1 . 1 4 4 TYR CA C 13 59.3934588774 . . . . . . . . 4 Y CA . 52065 1 11 . 1 . 1 4 4 TYR CB C 13 38.3149177511 . . . . . . . . 4 Y CB . 52065 1 12 . 1 . 1 4 4 TYR N N 15 123.1059482914 . . . . . . . . 4 Y N . 52065 1 13 . 1 . 1 5 5 TYR H H 1 7.8776893869 . . . . . . . . 5 Y H . 52065 1 14 . 1 . 1 5 5 TYR C C 13 178.0752010055 . . . . . . . . 5 Y C . 52065 1 15 . 1 . 1 5 5 TYR CA C 13 62.8099008726 . . . . . . . . 5 Y CA . 52065 1 16 . 1 . 1 5 5 TYR CB C 13 35.8751332237 . . . . . . . . 5 Y CB . 52065 1 17 . 1 . 1 5 5 TYR N N 15 116.8121599983 . . . . . . . . 5 Y N . 52065 1 18 . 1 . 1 6 6 GLU H H 1 7.5546552828 . . . . . . . . 6 E H . 52065 1 19 . 1 . 1 6 6 GLU C C 13 180.3077534775 . . . . . . . . 6 E C . 52065 1 20 . 1 . 1 6 6 GLU CA C 13 59.2111075495 . . . . . . . . 6 E CA . 52065 1 21 . 1 . 1 6 6 GLU CB C 13 29.492405833 . . . . . . . . 6 E CB . 52065 1 22 . 1 . 1 6 6 GLU N N 15 120.2141280229 . . . . . . . . 6 E N . 52065 1 23 . 1 . 1 7 7 VAL H H 1 7.9707650322 . . . . . . . . 7 V H . 52065 1 24 . 1 . 1 7 7 VAL C C 13 177.5250505137 . . . . . . . . 7 V C . 52065 1 25 . 1 . 1 7 7 VAL CA C 13 66.6979487913 . . . . . . . . 7 V CA . 52065 1 26 . 1 . 1 7 7 VAL CB C 13 31.627590659 . . . . . . . . 7 V CB . 52065 1 27 . 1 . 1 7 7 VAL N N 15 119.861839327 . . . . . . . . 7 V N . 52065 1 28 . 1 . 1 8 8 LEU H H 1 6.9310023294 . . . . . . . . 8 L H . 52065 1 29 . 1 . 1 8 8 LEU C C 13 175.6137233542 . . . . . . . . 8 L C . 52065 1 30 . 1 . 1 8 8 LEU CA C 13 54.6440065061 . . . . . . . . 8 L CA . 52065 1 31 . 1 . 1 8 8 LEU CB C 13 42.7081865324 . . . . . . . . 8 L CB . 52065 1 32 . 1 . 1 8 8 LEU N N 15 113.6141926633 . . . . . . . . 8 L N . 52065 1 33 . 1 . 1 9 9 GLY H H 1 7.8778032492 . . . . . . . . 9 G H . 52065 1 34 . 1 . 1 9 9 GLY C C 13 175.5635188262 . . . . . . . . 9 G C . 52065 1 35 . 1 . 1 9 9 GLY CA C 13 46.8547219153 . . . . . . . . 9 G CA . 52065 1 36 . 1 . 1 9 9 GLY N N 15 108.9125506126 . . . . . . . . 9 G N . 52065 1 37 . 1 . 1 10 10 VAL H H 1 7.8518098467 . . . . . . . . 10 V H . 52065 1 38 . 1 . 1 10 10 VAL C C 13 174.6859940591 . . . . . . . . 10 V C . 52065 1 39 . 1 . 1 10 10 VAL CA C 13 58.4064959381 . . . . . . . . 10 V CA . 52065 1 40 . 1 . 1 10 10 VAL CB C 13 34.802401864 . . . . . . . . 10 V CB . 52065 1 41 . 1 . 1 10 10 VAL N N 15 110.3076669564 . . . . . . . . 10 V N . 52065 1 42 . 1 . 1 11 11 GLN H H 1 8.3059250647 . . . . . . . . 11 Q H . 52065 1 43 . 1 . 1 11 11 GLN C C 13 176.7147653744 . . . . . . . . 11 Q C . 52065 1 44 . 1 . 1 11 11 GLN CA C 13 54.7213010757 . . . . . . . . 11 Q CA . 52065 1 45 . 1 . 1 11 11 GLN CB C 13 29.8115902363 . . . . . . . . 11 Q CB . 52065 1 46 . 1 . 1 11 11 GLN N N 15 117.8292888053 . . . . . . . . 11 Q N . 52065 1 47 . 1 . 1 12 12 ARG H H 1 8.1974527005 . . . . . . . . 12 R H . 52065 1 48 . 1 . 1 12 12 ARG C C 13 176.2680720346 . . . . . . . . 12 R C . 52065 1 49 . 1 . 1 12 12 ARG CA C 13 58.4402478008 . . . . . . . . 12 R CA . 52065 1 50 . 1 . 1 12 12 ARG CB C 13 29.3811384967 . . . . . . . . 12 R CB . 52065 1 51 . 1 . 1 12 12 ARG N N 15 117.7235059815 . . . . . . . . 12 R N . 52065 1 52 . 1 . 1 13 13 HIS H H 1 6.9542173846 . . . . . . . . 13 H H . 52065 1 53 . 1 . 1 13 13 HIS C C 13 174.9289350233 . . . . . . . . 13 H C . 52065 1 54 . 1 . 1 13 13 HIS CA C 13 54.8959147722 . . . . . . . . 13 H CA . 52065 1 55 . 1 . 1 13 13 HIS CB C 13 29.3095635201 . . . . . . . . 13 H CB . 52065 1 56 . 1 . 1 13 13 HIS N N 15 112.096574463 . . . . . . . . 13 H N . 52065 1 57 . 1 . 1 14 14 ALA H H 1 7.4015903741 . . . . . . . . 14 A H . 52065 1 58 . 1 . 1 14 14 ALA C C 13 177.6318247968 . . . . . . . . 14 A C . 52065 1 59 . 1 . 1 14 14 ALA CA C 13 53.0487131476 . . . . . . . . 14 A CA . 52065 1 60 . 1 . 1 14 14 ALA CB C 13 19.585974586 . . . . . . . . 14 A CB . 52065 1 61 . 1 . 1 14 14 ALA N N 15 123.1092839297 . . . . . . . . 14 A N . 52065 1 62 . 1 . 1 15 15 SER H H 1 9.2819465052 . . . . . . . . 15 S H . 52065 1 63 . 1 . 1 15 15 SER C C 13 173.3350661317 . . . . . . . . 15 S C . 52065 1 64 . 1 . 1 15 15 SER CA C 13 56.5955599817 . . . . . . . . 15 S CA . 52065 1 65 . 1 . 1 15 15 SER CB C 13 63.6244697335 . . . . . . . . 15 S CB . 52065 1 66 . 1 . 1 15 15 SER N N 15 120.1304278671 . . . . . . . . 15 S N . 52065 1 67 . 1 . 1 16 16 PRO C C 13 179.784618310 . . . . . . . . 16 P C . 52065 1 68 . 1 . 1 16 16 PRO CA C 13 60.0484668656 . . . . . . . . 16 P CA . 52065 1 69 . 1 . 1 16 16 PRO CB C 13 32.2435787888 . . . . . . . . 16 P CB . 52065 1 70 . 1 . 1 17 17 GLU H H 1 8.2418648286 . . . . . . . . 17 E H . 52065 1 71 . 1 . 1 17 17 GLU C C 13 178.5577256948 . . . . . . . . 17 E C . 52065 1 72 . 1 . 1 17 17 GLU CA C 13 60.0305206412 . . . . . . . . 17 E CA . 52065 1 73 . 1 . 1 17 17 GLU CB C 13 29.2093299894 . . . . . . . . 17 E CB . 52065 1 74 . 1 . 1 17 17 GLU N N 15 117.1287081167 . . . . . . . . 17 E N . 52065 1 75 . 1 . 1 18 18 ASP H H 1 7.9949944895 . . . . . . . . 18 D H . 52065 1 76 . 1 . 1 18 18 ASP C C 13 179.8164354039 . . . . . . . . 18 D C . 52065 1 77 . 1 . 1 18 18 ASP CA C 13 57.8163813352 . . . . . . . . 18 D CA . 52065 1 78 . 1 . 1 18 18 ASP CB C 13 40.9352551007 . . . . . . . . 18 D CB . 52065 1 79 . 1 . 1 18 18 ASP N N 15 121.6647549123 . . . . . . . . 18 D N . 52065 1 80 . 1 . 1 19 19 ILE H H 1 7.8324232921 . . . . . . . . 19 I H . 52065 1 81 . 1 . 1 19 19 ILE C C 13 176.8794460826 . . . . . . . . 19 I C . 52065 1 82 . 1 . 1 19 19 ILE CA C 13 65.4961668638 . . . . . . . . 19 I CA . 52065 1 83 . 1 . 1 19 19 ILE CB C 13 37.9908512424 . . . . . . . . 19 I CB . 52065 1 84 . 1 . 1 19 19 ILE N N 15 121.7476580791 . . . . . . . . 19 I N . 52065 1 85 . 1 . 1 20 20 LYS H H 1 7.9088507519 . . . . . . . . 20 K H . 52065 1 86 . 1 . 1 20 20 LYS C C 13 178.1479132313 . . . . . . . . 20 K C . 52065 1 87 . 1 . 1 20 20 LYS CA C 13 61.3616253815 . . . . . . . . 20 K CA . 52065 1 88 . 1 . 1 20 20 LYS CB C 13 33.2564829282 . . . . . . . . 20 K CB . 52065 1 89 . 1 . 1 20 20 LYS N N 15 119.6322800639 . . . . . . . . 20 K N . 52065 1 90 . 1 . 1 21 21 LYS H H 1 8.1561494599 . . . . . . . . 21 K H . 52065 1 91 . 1 . 1 21 21 LYS C C 13 179.0943848731 . . . . . . . . 21 K C . 52065 1 92 . 1 . 1 21 21 LYS CA C 13 60.4891779987 . . . . . . . . 21 K CA . 52065 1 93 . 1 . 1 21 21 LYS CB C 13 33.013820001 . . . . . . . . 21 K CB . 52065 1 94 . 1 . 1 21 21 LYS N N 15 117.6112520501 . . . . . . . . 21 K N . 52065 1 95 . 1 . 1 22 22 ALA H H 1 7.7446159926 . . . . . . . . 22 A H . 52065 1 96 . 1 . 1 22 22 ALA C C 13 176.4285333324 . . . . . . . . 22 A C . 52065 1 97 . 1 . 1 22 22 ALA CA C 13 55.3644175213 . . . . . . . . 22 A CA . 52065 1 98 . 1 . 1 22 22 ALA CB C 13 19.5809390729 . . . . . . . . 22 A CB . 52065 1 99 . 1 . 1 22 22 ALA N N 15 122.3635359556 . . . . . . . . 22 A N . 52065 1 100 . 1 . 1 23 23 TYR H H 1 8.1539253001 . . . . . . . . 23 Y H . 52065 1 101 . 1 . 1 23 23 TYR C C 13 175.2548294997 . . . . . . . . 23 Y C . 52065 1 102 . 1 . 1 23 23 TYR CA C 13 62.707951637 . . . . . . . . 23 Y CA . 52065 1 103 . 1 . 1 23 23 TYR CB C 13 38.8876899213 . . . . . . . . 23 Y CB . 52065 1 104 . 1 . 1 23 23 TYR N N 15 117.5727324993 . . . . . . . . 23 Y N . 52065 1 105 . 1 . 1 24 24 ARG H H 1 7.9770544137 . . . . . . . . 24 R H . 52065 1 106 . 1 . 1 24 24 ARG C C 13 177.1385134848 . . . . . . . . 24 R C . 52065 1 107 . 1 . 1 24 24 ARG CA C 13 59.9455136815 . . . . . . . . 24 R CA . 52065 1 108 . 1 . 1 24 24 ARG CB C 13 30.5639721574 . . . . . . . . 24 R CB . 52065 1 109 . 1 . 1 24 24 ARG N N 15 117.1405873697 . . . . . . . . 24 R N . 52065 1 110 . 1 . 1 25 25 LYS H H 1 7.1346224293 . . . . . . . . 25 K H . 52065 1 111 . 1 . 1 25 25 LYS C C 13 179.865709462 . . . . . . . . 25 K C . 52065 1 112 . 1 . 1 25 25 LYS CA C 13 56.5353635141 . . . . . . . . 25 K CA . 52065 1 113 . 1 . 1 25 25 LYS CB C 13 33.1267076704 . . . . . . . . 25 K CB . 52065 1 114 . 1 . 1 25 25 LYS N N 15 113.0935246455 . . . . . . . . 25 K N . 52065 1 115 . 1 . 1 26 26 LEU H H 1 8.1179736238 . . . . . . . . 26 L H . 52065 1 116 . 1 . 1 26 26 LEU C C 13 178.1679149706 . . . . . . . . 26 L C . 52065 1 117 . 1 . 1 26 26 LEU CA C 13 57.9978644073 . . . . . . . . 26 L CA . 52065 1 118 . 1 . 1 26 26 LEU CB C 13 43.5832036107 . . . . . . . . 26 L CB . 52065 1 119 . 1 . 1 26 26 LEU N N 15 120.1787735936 . . . . . . . . 26 L N . 52065 1 120 . 1 . 1 27 27 ALA H H 1 9.3487721146 . . . . . . . . 27 A H . 52065 1 121 . 1 . 1 27 27 ALA C C 13 179.2119610084 . . . . . . . . 27 A C . 52065 1 122 . 1 . 1 27 27 ALA CA C 13 55.8552674024 . . . . . . . . 27 A CA . 52065 1 123 . 1 . 1 27 27 ALA CB C 13 17.5887247483 . . . . . . . . 27 A CB . 52065 1 124 . 1 . 1 27 27 ALA N N 15 123.3216222248 . . . . . . . . 27 A N . 52065 1 125 . 1 . 1 28 28 LEU H H 1 6.946700776 . . . . . . . . 28 L H . 52065 1 126 . 1 . 1 28 28 LEU C C 13 179.4900462607 . . . . . . . . 28 L C . 52065 1 127 . 1 . 1 28 28 LEU CA C 13 57.5552008071 . . . . . . . . 28 L CA . 52065 1 128 . 1 . 1 28 28 LEU CB C 13 42.1563629516 . . . . . . . . 28 L CB . 52065 1 129 . 1 . 1 28 28 LEU N N 15 112.1025890082 . . . . . . . . 28 L N . 52065 1 130 . 1 . 1 29 29 LYS H H 1 7.3530259435 . . . . . . . . 29 K H . 52065 1 131 . 1 . 1 29 29 LYS C C 13 178.4264776519 . . . . . . . . 29 K C . 52065 1 132 . 1 . 1 29 29 LYS CA C 13 59.2684380056 . . . . . . . . 29 K CA . 52065 1 133 . 1 . 1 29 29 LYS CB C 13 33.2112470602 . . . . . . . . 29 K CB . 52065 1 134 . 1 . 1 29 29 LYS N N 15 118.4824021057 . . . . . . . . 29 K N . 52065 1 135 . 1 . 1 30 30 TRP H H 1 7.9629014431 . . . . . . . . 30 W H . 52065 1 136 . 1 . 1 30 30 TRP HE1 H 1 10.2794012258 . . . . . . . . 30 W HE1 . 52065 1 137 . 1 . 1 30 30 TRP C C 13 172.8549906321 . . . . . . . . 30 W C . 52065 1 138 . 1 . 1 30 30 TRP CA C 13 56.504063222 . . . . . . . . 30 W CA . 52065 1 139 . 1 . 1 30 30 TRP CB C 13 29.64429602 . . . . . . . . 30 W CB . 52065 1 140 . 1 . 1 30 30 TRP N N 15 114.4187944981 . . . . . . . . 30 W N . 52065 1 141 . 1 . 1 30 30 TRP NE1 N 15 126.8040832901 . . . . . . . . 30 W NE1 . 52065 1 142 . 1 . 1 31 31 HIS H H 1 6.9299112383 . . . . . . . . 31 H H . 52065 1 143 . 1 . 1 31 31 HIS C C 13 177.3190175675 . . . . . . . . 31 H C . 52065 1 144 . 1 . 1 31 31 HIS CA C 13 56.6031396256 . . . . . . . . 31 H CA . 52065 1 145 . 1 . 1 31 31 HIS CB C 13 30.5034456326 . . . . . . . . 31 H CB . 52065 1 146 . 1 . 1 31 31 HIS N N 15 120.7977492273 . . . . . . . . 31 H N . 52065 1 147 . 1 . 1 32 32 PRO C C 13 174.148901012 . . . . . . . . 32 P C . 52065 1 148 . 1 . 1 32 32 PRO CA C 13 66.6176040233 . . . . . . . . 32 P CA . 52065 1 149 . 1 . 1 32 32 PRO CB C 13 32.3873690416 . . . . . . . . 32 P CB . 52065 1 150 . 1 . 1 33 33 ASP H H 1 10.2021914508 . . . . . . . . 33 D H . 52065 1 151 . 1 . 1 33 33 ASP C C 13 177.8462877048 . . . . . . . . 33 D C . 52065 1 152 . 1 . 1 33 33 ASP CA C 13 56.9443566992 . . . . . . . . 33 D CA . 52065 1 153 . 1 . 1 33 33 ASP CB C 13 40.1577582177 . . . . . . . . 33 D CB . 52065 1 154 . 1 . 1 33 33 ASP N N 15 119.6306625364 . . . . . . . . 33 D N . 52065 1 155 . 1 . 1 34 34 LYS H H 1 7.7237077276 . . . . . . . . 34 K H . 52065 1 156 . 1 . 1 34 34 LYS C C 13 175.5586911112 . . . . . . . . 34 K C . 52065 1 157 . 1 . 1 34 34 LYS CA C 13 54.4515129358 . . . . . . . . 34 K CA . 52065 1 158 . 1 . 1 34 34 LYS CB C 13 32.4414525474 . . . . . . . . 34 K CB . 52065 1 159 . 1 . 1 34 34 LYS N N 15 116.0012504769 . . . . . . . . 34 K N . 52065 1 160 . 1 . 1 35 35 ASN H H 1 7.3437449311 . . . . . . . . 35 N H . 52065 1 161 . 1 . 1 35 35 ASN CA C 13 55.9609582617 . . . . . . . . 35 N CA . 52065 1 162 . 1 . 1 35 35 ASN CB C 13 37.9050232737 . . . . . . . . 35 N CB . 52065 1 163 . 1 . 1 35 35 ASN N N 15 118.4811247052 . . . . . . . . 35 N N . 52065 1 164 . 1 . 1 36 36 PRO CA C 13 65.6281407129 . . . . . . . . 36 P CA . 52065 1 165 . 1 . 1 36 36 PRO CB C 13 31.78534999 . . . . . . . . 36 P CB . 52065 1 166 . 1 . 1 37 37 GLU H H 1 8.6943021319 . . . . . . . . 37 E H . 52065 1 167 . 1 . 1 37 37 GLU C C 13 175.9342666714 . . . . . . . . 37 E C . 52065 1 168 . 1 . 1 37 37 GLU CA C 13 56.9440939613 . . . . . . . . 37 E CA . 52065 1 169 . 1 . 1 37 37 GLU CB C 13 29.4636533138 . . . . . . . . 37 E CB . 52065 1 170 . 1 . 1 37 37 GLU N N 15 117.0864571959 . . . . . . . . 37 E N . 52065 1 171 . 1 . 1 38 38 ASN H H 1 7.7961319453 . . . . . . . . 38 N H . 52065 1 172 . 1 . 1 38 38 ASN C C 13 175.1376020255 . . . . . . . . 38 N C . 52065 1 173 . 1 . 1 38 38 ASN CA C 13 52.3025741243 . . . . . . . . 38 N CA . 52065 1 174 . 1 . 1 38 38 ASN CB C 13 38.8064762407 . . . . . . . . 38 N CB . 52065 1 175 . 1 . 1 38 38 ASN N N 15 120.3434305331 . . . . . . . . 38 N N . 52065 1 176 . 1 . 1 39 39 LYS H H 1 7.9801937174 . . . . . . . . 39 K H . 52065 1 177 . 1 . 1 39 39 LYS C C 13 178.9739200411 . . . . . . . . 39 K C . 52065 1 178 . 1 . 1 39 39 LYS CA C 13 61.2222489533 . . . . . . . . 39 K CA . 52065 1 179 . 1 . 1 39 39 LYS CB C 13 33.4141844636 . . . . . . . . 39 K CB . 52065 1 180 . 1 . 1 39 39 LYS N N 15 121.6479499438 . . . . . . . . 39 K N . 52065 1 181 . 1 . 1 40 40 GLU H H 1 8.4616374052 . . . . . . . . 40 E H . 52065 1 182 . 1 . 1 40 40 GLU C C 13 179.3713628853 . . . . . . . . 40 E C . 52065 1 183 . 1 . 1 40 40 GLU CA C 13 57.5289053125 . . . . . . . . 40 E CA . 52065 1 184 . 1 . 1 40 40 GLU CB C 13 29.0105824757 . . . . . . . . 40 E CB . 52065 1 185 . 1 . 1 40 40 GLU N N 15 118.5942915874 . . . . . . . . 40 E N . 52065 1 186 . 1 . 1 41 41 GLU H H 1 8.1136361839 . . . . . . . . 41 E H . 52065 1 187 . 1 . 1 41 41 GLU C C 13 175.4649686618 . . . . . . . . 41 E C . 52065 1 188 . 1 . 1 41 41 GLU CA C 13 59.085144031 . . . . . . . . 41 E CA . 52065 1 189 . 1 . 1 41 41 GLU CB C 13 29.7139599242 . . . . . . . . 41 E CB . 52065 1 190 . 1 . 1 41 41 GLU N N 15 119.9494764224 . . . . . . . . 41 E N . 52065 1 191 . 1 . 1 42 42 ALA H H 1 8.0248264119 . . . . . . . . 42 A H . 52065 1 192 . 1 . 1 42 42 ALA C C 13 178.4153523685 . . . . . . . . 42 A C . 52065 1 193 . 1 . 1 42 42 ALA CA C 13 55.8999957784 . . . . . . . . 42 A CA . 52065 1 194 . 1 . 1 42 42 ALA CB C 13 18.1241955354 . . . . . . . . 42 A CB . 52065 1 195 . 1 . 1 42 42 ALA N N 15 120.2006440107 . . . . . . . . 42 A N . 52065 1 196 . 1 . 1 43 43 GLU H H 1 8.6577782454 . . . . . . . . 43 E H . 52065 1 197 . 1 . 1 43 43 GLU C C 13 179.5079358162 . . . . . . . . 43 E C . 52065 1 198 . 1 . 1 43 43 GLU CA C 13 60.6225634294 . . . . . . . . 43 E CA . 52065 1 199 . 1 . 1 43 43 GLU CB C 13 29.7142880249 . . . . . . . . 43 E CB . 52065 1 200 . 1 . 1 43 43 GLU N N 15 116.4831812817 . . . . . . . . 43 E N . 52065 1 201 . 1 . 1 44 44 ARG H H 1 7.3636462246 . . . . . . . . 44 R H . 52065 1 202 . 1 . 1 44 44 ARG C C 13 176.5290978523 . . . . . . . . 44 R C . 52065 1 203 . 1 . 1 44 44 ARG CA C 13 59.7896131954 . . . . . . . . 44 R CA . 52065 1 204 . 1 . 1 44 44 ARG CB C 13 30.3279989149 . . . . . . . . 44 R CB . 52065 1 205 . 1 . 1 44 44 ARG N N 15 118.8848594278 . . . . . . . . 44 R N . 52065 1 206 . 1 . 1 45 45 LYS H H 1 8.1176752946 . . . . . . . . 45 K H . 52065 1 207 . 1 . 1 45 45 LYS C C 13 178.261706258 . . . . . . . . 45 K C . 52065 1 208 . 1 . 1 45 45 LYS CA C 13 58.5062101726 . . . . . . . . 45 K CA . 52065 1 209 . 1 . 1 45 45 LYS CB C 13 31.3185624404 . . . . . . . . 45 K CB . 52065 1 210 . 1 . 1 45 45 LYS N N 15 120.6108183446 . . . . . . . . 45 K N . 52065 1 211 . 1 . 1 46 46 PHE H H 1 9.41857774 . . . . . . . . 46 F H . 52065 1 212 . 1 . 1 46 46 PHE C C 13 178.1137522494 . . . . . . . . 46 F C . 52065 1 213 . 1 . 1 46 46 PHE CA C 13 62.3397826835 . . . . . . . . 46 F CA . 52065 1 214 . 1 . 1 46 46 PHE CB C 13 40.0345888929 . . . . . . . . 46 F CB . 52065 1 215 . 1 . 1 46 46 PHE N N 15 120.6843941524 . . . . . . . . 46 F N . 52065 1 216 . 1 . 1 47 47 LYS H H 1 7.6921925035 . . . . . . . . 47 K H . 52065 1 217 . 1 . 1 47 47 LYS C C 13 178.4918082909 . . . . . . . . 47 K C . 52065 1 218 . 1 . 1 47 47 LYS CA C 13 59.8634892056 . . . . . . . . 47 K CA . 52065 1 219 . 1 . 1 47 47 LYS CB C 13 33.1455996279 . . . . . . . . 47 K CB . 52065 1 220 . 1 . 1 47 47 LYS N N 15 118.9097389299 . . . . . . . . 47 K N . 52065 1 221 . 1 . 1 48 48 GLN H H 1 7.6962516741 . . . . . . . . 48 Q H . 52065 1 222 . 1 . 1 48 48 GLN C C 13 178.0422604641 . . . . . . . . 48 Q C . 52065 1 223 . 1 . 1 48 48 GLN CA C 13 59.7072993881 . . . . . . . . 48 Q CA . 52065 1 224 . 1 . 1 48 48 GLN CB C 13 29.224864517 . . . . . . . . 48 Q CB . 52065 1 225 . 1 . 1 48 48 GLN N N 15 118.8768567273 . . . . . . . . 48 Q N . 52065 1 226 . 1 . 1 49 49 VAL H H 1 8.4371279363 . . . . . . . . 49 V H . 52065 1 227 . 1 . 1 49 49 VAL C C 13 176.4927716285 . . . . . . . . 49 V C . 52065 1 228 . 1 . 1 49 49 VAL CA C 13 66.3947258712 . . . . . . . . 49 V CA . 52065 1 229 . 1 . 1 49 49 VAL CB C 13 32.1480226655 . . . . . . . . 49 V CB . 52065 1 230 . 1 . 1 49 49 VAL N N 15 118.3368491603 . . . . . . . . 49 V N . 52065 1 231 . 1 . 1 50 50 ALA H H 1 7.2557104923 . . . . . . . . 50 A H . 52065 1 232 . 1 . 1 50 50 ALA C C 13 178.4825613164 . . . . . . . . 50 A C . 52065 1 233 . 1 . 1 50 50 ALA CA C 13 55.9816779664 . . . . . . . . 50 A CA . 52065 1 234 . 1 . 1 50 50 ALA CB C 13 18.1934989296 . . . . . . . . 50 A CB . 52065 1 235 . 1 . 1 50 50 ALA N N 15 121.688042766 . . . . . . . . 50 A N . 52065 1 236 . 1 . 1 51 51 GLU H H 1 7.6129130498 . . . . . . . . 51 E H . 52065 1 237 . 1 . 1 51 51 GLU C C 13 176.4851809835 . . . . . . . . 51 E C . 52065 1 238 . 1 . 1 51 51 GLU CA C 13 59.500580695 . . . . . . . . 51 E CA . 52065 1 239 . 1 . 1 51 51 GLU CB C 13 30.0191829472 . . . . . . . . 51 E CB . 52065 1 240 . 1 . 1 51 51 GLU N N 15 118.439354423 . . . . . . . . 51 E N . 52065 1 241 . 1 . 1 52 52 ALA H H 1 7.567407608 . . . . . . . . 52 A H . 52065 1 242 . 1 . 1 52 52 ALA C C 13 178.3289155515 . . . . . . . . 52 A C . 52065 1 243 . 1 . 1 52 52 ALA CA C 13 54.2905461901 . . . . . . . . 52 A CA . 52065 1 244 . 1 . 1 52 52 ALA CB C 13 19.3349500894 . . . . . . . . 52 A CB . 52065 1 245 . 1 . 1 52 52 ALA N N 15 116.9651935752 . . . . . . . . 52 A N . 52065 1 246 . 1 . 1 53 53 TYR H H 1 8.0577467418 . . . . . . . . 53 Y H . 52065 1 247 . 1 . 1 53 53 TYR C C 13 178.0005265864 . . . . . . . . 53 Y C . 52065 1 248 . 1 . 1 53 53 TYR CA C 13 62.0799123439 . . . . . . . . 53 Y CA . 52065 1 249 . 1 . 1 53 53 TYR CB C 13 40.0948021208 . . . . . . . . 53 Y CB . 52065 1 250 . 1 . 1 53 53 TYR N N 15 116.0234190227 . . . . . . . . 53 Y N . 52065 1 251 . 1 . 1 54 54 GLU H H 1 8.6196985962 . . . . . . . . 54 E H . 52065 1 252 . 1 . 1 54 54 GLU C C 13 177.6582606559 . . . . . . . . 54 E C . 52065 1 253 . 1 . 1 54 54 GLU CA C 13 61.8739315427 . . . . . . . . 54 E CA . 52065 1 254 . 1 . 1 54 54 GLU CB C 13 30.6825649262 . . . . . . . . 54 E CB . 52065 1 255 . 1 . 1 54 54 GLU N N 15 121.7566315941 . . . . . . . . 54 E N . 52065 1 256 . 1 . 1 55 55 VAL H H 1 7.0624241892 . . . . . . . . 55 V H . 52065 1 257 . 1 . 1 55 55 VAL C C 13 175.0674137242 . . . . . . . . 55 V C . 52065 1 258 . 1 . 1 55 55 VAL CA C 13 66.2438594115 . . . . . . . . 55 V CA . 52065 1 259 . 1 . 1 55 55 VAL CB C 13 31.741321617 . . . . . . . . 55 V CB . 52065 1 260 . 1 . 1 55 55 VAL N N 15 114.5168788022 . . . . . . . . 55 V N . 52065 1 261 . 1 . 1 56 56 LEU H H 1 7.7046379299 . . . . . . . . 56 L H . 52065 1 262 . 1 . 1 56 56 LEU C C 13 177.4932455335 . . . . . . . . 56 L C . 52065 1 263 . 1 . 1 56 56 LEU CA C 13 56.6340147909 . . . . . . . . 56 L CA . 52065 1 264 . 1 . 1 56 56 LEU CB C 13 41.6684218702 . . . . . . . . 56 L CB . 52065 1 265 . 1 . 1 56 56 LEU N N 15 110.3891602415 . . . . . . . . 56 L N . 52065 1 266 . 1 . 1 57 57 SER H H 1 7.762711399 . . . . . . . . 57 S H . 52065 1 267 . 1 . 1 57 57 SER C C 13 173.3277661761 . . . . . . . . 57 S C . 52065 1 268 . 1 . 1 57 57 SER CA C 13 59.5079685815 . . . . . . . . 57 S CA . 52065 1 269 . 1 . 1 57 57 SER CB C 13 63.8472032308 . . . . . . . . 57 S CB . 52065 1 270 . 1 . 1 57 57 SER N N 15 109.5010907099 . . . . . . . . 57 S N . 52065 1 271 . 1 . 1 58 58 ASP H H 1 6.7051893785 . . . . . . . . 58 D H . 52065 1 272 . 1 . 1 58 58 ASP C C 13 174.6479711754 . . . . . . . . 58 D C . 52065 1 273 . 1 . 1 58 58 ASP CA C 13 52.3754666178 . . . . . . . . 58 D CA . 52065 1 274 . 1 . 1 58 58 ASP CB C 13 43.5852870234 . . . . . . . . 58 D CB . 52065 1 275 . 1 . 1 58 58 ASP N N 15 124.3122952281 . . . . . . . . 58 D N . 52065 1 276 . 1 . 1 59 59 ALA H H 1 8.762526899 . . . . . . . . 59 A H . 52065 1 277 . 1 . 1 59 59 ALA C C 13 179.4182924552 . . . . . . . . 59 A C . 52065 1 278 . 1 . 1 59 59 ALA CA C 13 56.0253313568 . . . . . . . . 59 A CA . 52065 1 279 . 1 . 1 59 59 ALA CB C 13 18.8730222169 . . . . . . . . 59 A CB . 52065 1 280 . 1 . 1 59 59 ALA N N 15 127.726704468 . . . . . . . . 59 A N . 52065 1 281 . 1 . 1 60 60 LYS H H 1 7.8612002895 . . . . . . . . 60 K H . 52065 1 282 . 1 . 1 60 60 LYS C C 13 179.6101210004 . . . . . . . . 60 K C . 52065 1 283 . 1 . 1 60 60 LYS CA C 13 59.4073624208 . . . . . . . . 60 K CA . 52065 1 284 . 1 . 1 60 60 LYS CB C 13 32.2279814268 . . . . . . . . 60 K CB . 52065 1 285 . 1 . 1 60 60 LYS N N 15 115.7617133564 . . . . . . . . 60 K N . 52065 1 286 . 1 . 1 61 61 LYS H H 1 7.8704017862 . . . . . . . . 61 K H . 52065 1 287 . 1 . 1 61 61 LYS C C 13 178.0622944495 . . . . . . . . 61 K C . 52065 1 288 . 1 . 1 61 61 LYS CA C 13 60.5355503897 . . . . . . . . 61 K CA . 52065 1 289 . 1 . 1 61 61 LYS CB C 13 33.0894369105 . . . . . . . . 61 K CB . 52065 1 290 . 1 . 1 61 61 LYS N N 15 120.2444107535 . . . . . . . . 61 K N . 52065 1 291 . 1 . 1 62 62 ARG H H 1 9.1442317169 . . . . . . . . 62 R H . 52065 1 292 . 1 . 1 62 62 ARG C C 13 177.424954105 . . . . . . . . 62 R C . 52065 1 293 . 1 . 1 62 62 ARG CA C 13 60.695856944 . . . . . . . . 62 R CA . 52065 1 294 . 1 . 1 62 62 ARG CB C 13 30.0952407551 . . . . . . . . 62 R CB . 52065 1 295 . 1 . 1 62 62 ARG N N 15 121.5352791782 . . . . . . . . 62 R N . 52065 1 296 . 1 . 1 63 63 ASP H H 1 7.5526007965 . . . . . . . . 63 D H . 52065 1 297 . 1 . 1 63 63 ASP CA C 13 57.9783696476 . . . . . . . . 63 D CA . 52065 1 298 . 1 . 1 63 63 ASP CB C 13 41.7406264051 . . . . . . . . 63 D CB . 52065 1 299 . 1 . 1 63 63 ASP N N 15 116.9673904832 . . . . . . . . 63 D N . 52065 1 300 . 1 . 1 64 64 ILE H H 1 7.3762067542 . . . . . . . . 64 I H . 52065 1 301 . 1 . 1 64 64 ILE C C 13 178.1249005448 . . . . . . . . 64 I C . 52065 1 302 . 1 . 1 64 64 ILE CA C 13 65.049498093 . . . . . . . . 64 I CA . 52065 1 303 . 1 . 1 64 64 ILE CB C 13 38.3208329721 . . . . . . . . 64 I CB . 52065 1 304 . 1 . 1 64 64 ILE N N 15 118.4897142681 . . . . . . . . 64 I N . 52065 1 305 . 1 . 1 65 65 TYR H H 1 8.8638055918 . . . . . . . . 65 Y H . 52065 1 306 . 1 . 1 65 65 TYR C C 13 178.4094274843 . . . . . . . . 65 Y C . 52065 1 307 . 1 . 1 65 65 TYR CA C 13 62.1791630083 . . . . . . . . 65 Y CA . 52065 1 308 . 1 . 1 65 65 TYR CB C 13 39.3095106191 . . . . . . . . 65 Y CB . 52065 1 309 . 1 . 1 65 65 TYR N N 15 121.7749854275 . . . . . . . . 65 Y N . 52065 1 310 . 1 . 1 66 66 ASP H H 1 9.329684138 . . . . . . . . 66 D H . 52065 1 311 . 1 . 1 66 66 ASP C C 13 178.5687625704 . . . . . . . . 66 D C . 52065 1 312 . 1 . 1 66 66 ASP CA C 13 57.239726002 . . . . . . . . 66 D CA . 52065 1 313 . 1 . 1 66 66 ASP CB C 13 40.2931166569 . . . . . . . . 66 D CB . 52065 1 314 . 1 . 1 66 66 ASP N N 15 120.606866082 . . . . . . . . 66 D N . 52065 1 315 . 1 . 1 67 67 LYS H H 1 7.5651867249 . . . . . . . . 67 K H . 52065 1 316 . 1 . 1 67 67 LYS C C 13 175.1858979156 . . . . . . . . 67 K C . 52065 1 317 . 1 . 1 67 67 LYS CA C 13 58.7559972598 . . . . . . . . 67 K CA . 52065 1 318 . 1 . 1 67 67 LYS CB C 13 33.4758101075 . . . . . . . . 67 K CB . 52065 1 319 . 1 . 1 67 67 LYS N N 15 118.4792923117 . . . . . . . . 67 K N . 52065 1 320 . 1 . 1 68 68 TYR H H 1 8.0900431599 . . . . . . . . 68 Y H . 52065 1 321 . 1 . 1 68 68 TYR C C 13 177.1176847162 . . . . . . . . 68 Y C . 52065 1 322 . 1 . 1 68 68 TYR CA C 13 59.2817131858 . . . . . . . . 68 Y CA . 52065 1 323 . 1 . 1 68 68 TYR CB C 13 39.3787817053 . . . . . . . . 68 Y CB . 52065 1 324 . 1 . 1 68 68 TYR N N 15 117.8347672137 . . . . . . . . 68 Y N . 52065 1 325 . 1 . 1 69 69 GLY H H 1 8.1144501394 . . . . . . . . 69 G H . 52065 1 326 . 1 . 1 69 69 GLY C C 13 174.3179389423 . . . . . . . . 69 G C . 52065 1 327 . 1 . 1 69 69 GLY CA C 13 45.7780944285 . . . . . . . . 69 G CA . 52065 1 328 . 1 . 1 69 69 GLY N N 15 109.3875419191 . . . . . . . . 69 G N . 52065 1 329 . 1 . 1 70 70 LYS H H 1 8.0725276726 . . . . . . . . 70 K H . 52065 1 330 . 1 . 1 70 70 LYS C C 13 176.058 . . . . . . . . 70 K C . 52065 1 331 . 1 . 1 70 70 LYS CA C 13 58.2530145204 . . . . . . . . 70 K CA . 52065 1 332 . 1 . 1 70 70 LYS CB C 13 33.2307647489 . . . . . . . . 70 K CB . 52065 1 333 . 1 . 1 70 70 LYS N N 15 120.1999672268 . . . . . . . . 70 K N . 52065 1 334 . 1 . 1 71 71 GLU H H 1 8.4983464509 . . . . . . . . 71 E H . 52065 1 335 . 1 . 1 71 71 GLU C C 13 177.6241404161 . . . . . . . . 71 E C . 52065 1 336 . 1 . 1 71 71 GLU CA C 13 57.9188724678 . . . . . . . . 71 E CA . 52065 1 337 . 1 . 1 71 71 GLU CB C 13 29.9774778692 . . . . . . . . 71 E CB . 52065 1 338 . 1 . 1 71 71 GLU N N 15 118.8695253268 . . . . . . . . 71 E N . 52065 1 339 . 1 . 1 72 72 GLY H H 1 7.9109332605 . . . . . . . . 72 G H . 52065 1 340 . 1 . 1 72 72 GLY C C 13 174.346390073 . . . . . . . . 72 G C . 52065 1 341 . 1 . 1 72 72 GLY CA C 13 45.8688686588 . . . . . . . . 72 G CA . 52065 1 342 . 1 . 1 72 72 GLY N N 15 107.3138239912 . . . . . . . . 72 G N . 52065 1 343 . 1 . 1 73 73 LEU H H 1 7.8029909656 . . . . . . . . 73 L H . 52065 1 344 . 1 . 1 73 73 LEU C C 13 177.3566931093 . . . . . . . . 73 L C . 52065 1 345 . 1 . 1 73 73 LEU CA C 13 55.7264091671 . . . . . . . . 73 L CA . 52065 1 346 . 1 . 1 73 73 LEU CB C 13 38.9297153354 . . . . . . . . 73 L CB . 52065 1 347 . 1 . 1 73 73 LEU N N 15 120.2966476063 . . . . . . . . 73 L N . 52065 1 348 . 1 . 1 74 74 ASN CA C 13 53.6991363764 . . . . . . . . 74 N CA . 52065 1 349 . 1 . 1 74 74 ASN CB C 13 39.291292429 . . . . . . . . 74 N CB . 52065 1 350 . 1 . 1 75 75 GLY H H 1 8.1175723735 . . . . . . . . 75 G H . 52065 1 351 . 1 . 1 75 75 GLY C C 13 174.7504263435 . . . . . . . . 75 G C . 52065 1 352 . 1 . 1 75 75 GLY CA C 13 45.7046253568 . . . . . . . . 75 G CA . 52065 1 353 . 1 . 1 75 75 GLY N N 15 108.3614823446 . . . . . . . . 75 G N . 52065 1 354 . 1 . 1 76 76 GLY H H 1 8.2230977977 . . . . . . . . 76 G H . 52065 1 355 . 1 . 1 76 76 GLY C C 13 174.7504263435 . . . . . . . . 76 G C . 52065 1 356 . 1 . 1 76 76 GLY CA C 13 45.468938298 . . . . . . . . 76 G CA . 52065 1 357 . 1 . 1 76 76 GLY N N 15 108.6264011719 . . . . . . . . 76 G N . 52065 1 358 . 1 . 1 77 77 GLY H H 1 8.2265079687 . . . . . . . . 77 G H . 52065 1 359 . 1 . 1 77 77 GLY C C 13 174.7162831107 . . . . . . . . 77 G C . 52065 1 360 . 1 . 1 77 77 GLY CA C 13 45.7046253568 . . . . . . . . 77 G CA . 52065 1 361 . 1 . 1 77 77 GLY N N 15 108.6160595371 . . . . . . . . 77 G N . 52065 1 362 . 1 . 1 78 78 GLY H H 1 8.2222766124 . . . . . . . . 78 G H . 52065 1 363 . 1 . 1 78 78 GLY C C 13 174.761807421 . . . . . . . . 78 G C . 52065 1 364 . 1 . 1 78 78 GLY CA C 13 45.7046253568 . . . . . . . . 78 G CA . 52065 1 365 . 1 . 1 78 78 GLY N N 15 108.6035716438 . . . . . . . . 78 G N . 52065 1 366 . 1 . 1 79 79 GLY H H 1 8.2312271443 . . . . . . . . 79 G H . 52065 1 367 . 1 . 1 79 79 GLY C C 13 174.7276641883 . . . . . . . . 79 G C . 52065 1 368 . 1 . 1 79 79 GLY CA C 13 45.468938298 . . . . . . . . 79 G CA . 52065 1 369 . 1 . 1 79 79 GLY N N 15 108.6265061828 . . . . . . . . 79 G N . 52065 1 370 . 1 . 1 83 83 PHE H H 1 7.9019410647 . . . . . . . . 83 F H . 52065 1 371 . 1 . 1 83 83 PHE C C 13 175.1146123361 . . . . . . . . 83 F C . 52065 1 372 . 1 . 1 83 83 PHE CA C 13 57.8619637753 . . . . . . . . 83 F CA . 52065 1 373 . 1 . 1 83 83 PHE CB C 13 39.6710742084 . . . . . . . . 83 F CB . 52065 1 374 . 1 . 1 83 83 PHE N N 15 120.2188916996 . . . . . . . . 83 F N . 52065 1 375 . 1 . 1 84 84 ASP H H 1 8.2068204418 . . . . . . . . 84 D H . 52065 1 376 . 1 . 1 84 84 ASP C C 13 175.0901878962 . . . . . . . . 84 D C . 52065 1 377 . 1 . 1 84 84 ASP CA C 13 54.5175051013 . . . . . . . . 84 D CA . 52065 1 378 . 1 . 1 84 84 ASP CB C 13 41.4118444418 . . . . . . . . 84 D CB . 52065 1 379 . 1 . 1 84 84 ASP N N 15 121.0421687326 . . . . . . . . 84 D N . 52065 1 380 . 1 . 1 85 85 SER H H 1 7.9035148337 . . . . . . . . 85 S H . 52065 1 381 . 1 . 1 85 85 SER C C 13 173.1001616044 . . . . . . . . 85 S C . 52065 1 382 . 1 . 1 85 85 SER CA C 13 56.1099805089 . . . . . . . . 85 S CA . 52065 1 383 . 1 . 1 85 85 SER CB C 13 64.1868473338 . . . . . . . . 85 S CB . 52065 1 384 . 1 . 1 85 85 SER N N 15 115.6908118589 . . . . . . . . 85 S N . 52065 1 385 . 1 . 1 86 86 PRO C C 13 176.508107761 . . . . . . . . 86 P C . 52065 1 386 . 1 . 1 86 86 PRO CA C 13 63.6080529334 . . . . . . . . 86 P CA . 52065 1 387 . 1 . 1 86 86 PRO CB C 13 31.8469388125 . . . . . . . . 86 P CB . 52065 1 388 . 1 . 1 87 87 PHE H H 1 7.8014822026 . . . . . . . . 87 F H . 52065 1 389 . 1 . 1 87 87 PHE C C 13 175.3649960428 . . . . . . . . 87 F C . 52065 1 390 . 1 . 1 87 87 PHE CA C 13 57.7931203847 . . . . . . . . 87 F CA . 52065 1 391 . 1 . 1 87 87 PHE CB C 13 39.6798655583 . . . . . . . . 87 F CB . 52065 1 392 . 1 . 1 87 87 PHE N N 15 118.4781075158 . . . . . . . . 87 F N . 52065 1 393 . 1 . 1 88 88 GLU H H 1 8.0317513884 . . . . . . . . 88 E H . 52065 1 394 . 1 . 1 88 88 GLU C C 13 176.0137174649 . . . . . . . . 88 E C . 52065 1 395 . 1 . 1 88 88 GLU CA C 13 56.7353192814 . . . . . . . . 88 E CA . 52065 1 396 . 1 . 1 88 88 GLU CB C 13 30.5772611659 . . . . . . . . 88 E CB . 52065 1 397 . 1 . 1 88 88 GLU N N 15 121.1427609121 . . . . . . . . 88 E N . 52065 1 398 . 1 . 1 89 89 ILE H H 1 7.8638105572 . . . . . . . . 89 I H . 52065 1 399 . 1 . 1 89 89 ILE C C 13 176.303944107 . . . . . . . . 89 I C . 52065 1 400 . 1 . 1 89 89 ILE CA C 13 61.865404532 . . . . . . . . 89 I CA . 52065 1 401 . 1 . 1 89 89 ILE CB C 13 38.6463409222 . . . . . . . . 89 I CB . 52065 1 402 . 1 . 1 89 89 ILE N N 15 120.240357628 . . . . . . . . 89 I N . 52065 1 403 . 1 . 1 90 90 GLY H H 1 8.117849158 . . . . . . . . 90 G H . 52065 1 404 . 1 . 1 90 90 GLY C C 13 173.7659638066 . . . . . . . . 90 G C . 52065 1 405 . 1 . 1 90 90 GLY CA C 13 45.3853686185 . . . . . . . . 90 G CA . 52065 1 406 . 1 . 1 90 90 GLY N N 15 111.0315891127 . . . . . . . . 90 G N . 52065 1 407 . 1 . 1 91 91 PHE H H 1 7.6390206108 . . . . . . . . 91 F H . 52065 1 408 . 1 . 1 91 91 PHE C C 13 174.7062733348 . . . . . . . . 91 F C . 52065 1 409 . 1 . 1 91 91 PHE CA C 13 57.5790204971 . . . . . . . . 91 F CA . 52065 1 410 . 1 . 1 91 91 PHE CB C 13 40.1379026889 . . . . . . . . 91 F CB . 52065 1 411 . 1 . 1 91 91 PHE N N 15 120.0360929428 . . . . . . . . 91 F N . 52065 1 412 . 1 . 1 92 92 THR H H 1 7.6884879362 . . . . . . . . 92 T H . 52065 1 413 . 1 . 1 92 92 THR C C 13 173.1329530653 . . . . . . . . 92 T C . 52065 1 414 . 1 . 1 92 92 THR CA C 13 60.9835774612 . . . . . . . . 92 T CA . 52065 1 415 . 1 . 1 92 92 THR CB C 13 70.5751892355 . . . . . . . . 92 T CB . 52065 1 416 . 1 . 1 92 92 THR N N 15 117.1146570108 . . . . . . . . 92 T N . 52065 1 417 . 1 . 1 93 93 PHE H H 1 8.2757218201 . . . . . . . . 93 F H . 52065 1 418 . 1 . 1 93 93 PHE C C 13 176.7528196273 . . . . . . . . 93 F C . 52065 1 419 . 1 . 1 93 93 PHE CA C 13 58.6825306668 . . . . . . . . 93 F CA . 52065 1 420 . 1 . 1 93 93 PHE CB C 13 40.9062052728 . . . . . . . . 93 F CB . 52065 1 421 . 1 . 1 93 93 PHE N N 15 123.4860963093 . . . . . . . . 93 F N . 52065 1 422 . 1 . 1 94 94 ARG H H 1 10.0922755441 . . . . . . . . 94 R H . 52065 1 423 . 1 . 1 94 94 ARG C C 13 176.5069883352 . . . . . . . . 94 R C . 52065 1 424 . 1 . 1 94 94 ARG CA C 13 56.0894834924 . . . . . . . . 94 R CA . 52065 1 425 . 1 . 1 94 94 ARG CB C 13 32.8684838108 . . . . . . . . 94 R CB . 52065 1 426 . 1 . 1 94 94 ARG N N 15 124.2007163787 . . . . . . . . 94 R N . 52065 1 427 . 1 . 1 95 95 ASN H H 1 8.839747138 . . . . . . . . 95 N H . 52065 1 428 . 1 . 1 95 95 ASN C C 13 178.6441097807 . . . . . . . . 95 N C . 52065 1 429 . 1 . 1 95 95 ASN CA C 13 52.2058043002 . . . . . . . . 95 N CA . 52065 1 430 . 1 . 1 95 95 ASN CB C 13 38.9348198033 . . . . . . . . 95 N CB . 52065 1 431 . 1 . 1 95 95 ASN N N 15 121.3186273523 . . . . . . . . 95 N N . 52065 1 432 . 1 . 1 96 96 PRO CA C 13 65.6886431486 . . . . . . . . 96 P CA . 52065 1 433 . 1 . 1 96 96 PRO CB C 13 32.6801637958 . . . . . . . . 96 P CB . 52065 1 434 . 1 . 1 97 97 ASP H H 1 8.7388669631 . . . . . . . . 97 D H . 52065 1 435 . 1 . 1 97 97 ASP C C 13 178.6400741602 . . . . . . . . 97 D C . 52065 1 436 . 1 . 1 97 97 ASP CA C 13 57.8418323448 . . . . . . . . 97 D CA . 52065 1 437 . 1 . 1 97 97 ASP CB C 13 41.0260552592 . . . . . . . . 97 D CB . 52065 1 438 . 1 . 1 97 97 ASP N N 15 118.3888216374 . . . . . . . . 97 D N . 52065 1 439 . 1 . 1 98 98 ASP H H 1 7.6727758332 . . . . . . . . 98 D H . 52065 1 440 . 1 . 1 98 98 ASP C C 13 178.604214113 . . . . . . . . 98 D C . 52065 1 441 . 1 . 1 98 98 ASP CA C 13 57.7370517622 . . . . . . . . 98 D CA . 52065 1 442 . 1 . 1 98 98 ASP CB C 13 40.6779862566 . . . . . . . . 98 D CB . 52065 1 443 . 1 . 1 98 98 ASP N N 15 121.2501644395 . . . . . . . . 98 D N . 52065 1 444 . 1 . 1 99 99 VAL H H 1 7.3352693413 . . . . . . . . 99 V H . 52065 1 445 . 1 . 1 99 99 VAL C C 13 177.6660232387 . . . . . . . . 99 V C . 52065 1 446 . 1 . 1 99 99 VAL CA C 13 67.0997874929 . . . . . . . . 99 V CA . 52065 1 447 . 1 . 1 99 99 VAL CB C 13 32.2113468318 . . . . . . . . 99 V CB . 52065 1 448 . 1 . 1 99 99 VAL N N 15 121.1095147989 . . . . . . . . 99 V N . 52065 1 449 . 1 . 1 100 100 PHE H H 1 7.7947508637 . . . . . . . . 100 F H . 52065 1 450 . 1 . 1 100 100 PHE C C 13 177.4111541796 . . . . . . . . 100 F C . 52065 1 451 . 1 . 1 100 100 PHE CA C 13 60.9783368053 . . . . . . . . 100 F CA . 52065 1 452 . 1 . 1 100 100 PHE CB C 13 40.2308039588 . . . . . . . . 100 F CB . 52065 1 453 . 1 . 1 100 100 PHE N N 15 120.2619396411 . . . . . . . . 100 F N . 52065 1 454 . 1 . 1 101 101 ARG H H 1 8.5145910755 . . . . . . . . 101 R H . 52065 1 455 . 1 . 1 101 101 ARG C C 13 179.6865516294 . . . . . . . . 101 R C . 52065 1 456 . 1 . 1 101 101 ARG CA C 13 59.8126865775 . . . . . . . . 101 R CA . 52065 1 457 . 1 . 1 101 101 ARG CB C 13 30.7854419822 . . . . . . . . 101 R CB . 52065 1 458 . 1 . 1 101 101 ARG N N 15 118.544489461 . . . . . . . . 101 R N . 52065 1 459 . 1 . 1 102 102 GLU H H 1 7.9629956189 . . . . . . . . 102 E H . 52065 1 460 . 1 . 1 102 102 GLU C C 13 178.1807739053 . . . . . . . . 102 E C . 52065 1 461 . 1 . 1 102 102 GLU CA C 13 59.3063344966 . . . . . . . . 102 E CA . 52065 1 462 . 1 . 1 102 102 GLU CB C 13 30.1215088816 . . . . . . . . 102 E CB . 52065 1 463 . 1 . 1 102 102 GLU N N 15 118.5212718814 . . . . . . . . 102 E N . 52065 1 464 . 1 . 1 103 103 PHE H H 1 8.1419181622 . . . . . . . . 103 F H . 52065 1 465 . 1 . 1 103 103 PHE C C 13 177.6913990088 . . . . . . . . 103 F C . 52065 1 466 . 1 . 1 103 103 PHE CA C 13 61.8662792711 . . . . . . . . 103 F CA . 52065 1 467 . 1 . 1 103 103 PHE CB C 13 40.1760402166 . . . . . . . . 103 F CB . 52065 1 468 . 1 . 1 103 103 PHE N N 15 120.4091003719 . . . . . . . . 103 F N . 52065 1 469 . 1 . 1 104 104 PHE H H 1 8.3138678003 . . . . . . . . 104 F H . 52065 1 470 . 1 . 1 104 104 PHE C C 13 176.7544706471 . . . . . . . . 104 F C . 52065 1 471 . 1 . 1 104 104 PHE CA C 13 60.6415946448 . . . . . . . . 104 F CA . 52065 1 472 . 1 . 1 104 104 PHE CB C 13 39.1065782834 . . . . . . . . 104 F CB . 52065 1 473 . 1 . 1 104 104 PHE N N 15 114.6679578071 . . . . . . . . 104 F N . 52065 1 474 . 1 . 1 105 105 GLY H H 1 7.7649554784 . . . . . . . . 105 G H . 52065 1 475 . 1 . 1 105 105 GLY C C 13 174.520903454 . . . . . . . . 105 G C . 52065 1 476 . 1 . 1 105 105 GLY CA C 13 46.0628971718 . . . . . . . . 105 G CA . 52065 1 477 . 1 . 1 105 105 GLY N N 15 108.5877636094 . . . . . . . . 105 G N . 52065 1 478 . 1 . 1 106 106 GLY H H 1 8.0363681299 . . . . . . . . 106 G H . 52065 1 479 . 1 . 1 106 106 GLY C C 13 173.8014806405 . . . . . . . . 106 G C . 52065 1 480 . 1 . 1 106 106 GLY CA C 13 45.5033102978 . . . . . . . . 106 G CA . 52065 1 481 . 1 . 1 106 106 GLY N N 15 108.1631548198 . . . . . . . . 106 G N . 52065 1 482 . 1 . 1 107 107 ARG C C 13 176.0978000786 . . . . . . . . 107 R C . 52065 1 483 . 1 . 1 107 107 ARG CA C 13 56.1066983311 . . . . . . . . 107 R CA . 52065 1 484 . 1 . 1 107 107 ARG CB C 13 31.245013102 . . . . . . . . 107 R CB . 52065 1 485 . 1 . 1 108 108 ASP H H 1 7.9188972328 . . . . . . . . 108 D H . 52065 1 486 . 1 . 1 108 108 ASP C C 13 174.9851976492 . . . . . . . . 108 D C . 52065 1 487 . 1 . 1 108 108 ASP CA C 13 53.0555230657 . . . . . . . . 108 D CA . 52065 1 488 . 1 . 1 108 108 ASP CB C 13 42.3390241673 . . . . . . . . 108 D CB . 52065 1 489 . 1 . 1 108 108 ASP N N 15 126.3237118979 . . . . . . . . 108 D N . 52065 1 stop_ save_