data_52098 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52098 _Entry.Title ; DNAJB6 JD-GF F100V ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-24 _Entry.Accession_date 2023-08-24 _Entry.Last_release_date 2023-08-24 _Entry.Original_release_date 2023-08-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Meital Avraham . . . . 52098 2 Yehuda Salzberg . . . . 52098 3 Dar Glicksberg . . . . 52098 4 Meital Oren . . . . 52098 5 Rina Rosenzweig . . . . 52098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 52098 '15N chemical shifts' 97 52098 '1H chemical shifts' 97 52098 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 2023-08-24 update BMRB 'update entry citation' 52098 1 . . 2023-10-30 2023-08-24 original author 'original release' 52098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51996 'DNAJB6 J-domain' 52098 BMRB 51997 'DNAJB6_JD-GF A50V' 52098 BMRB 52065 'DNAJB6 JD-GF F89I' 52098 BMRB 52091 'DNAJB6 JD-GF F91I' 52098 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52098 _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. . . . 52098 1 2 Yehuda Salzberg Y. . . . 52098 1 3 Dar Gliksberg D. . . . 52098 1 4 Meital Oren-Suissa M. . . . 52098 1 5 Rina Rosenzweig R. . . . 52098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52098 _Assembly.ID 1 _Assembly.Name 'DNAJB6 JD-GF F100V' _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 F100V' 1 $entity_1 . . yes native no no . . . 52098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52098 _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 SHFDSPFEFGFTFRNPDDVV 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 . 52098 1 2 . VAL . 52098 1 3 . ASP . 52098 1 4 . TYR . 52098 1 5 . TYR . 52098 1 6 . GLU . 52098 1 7 . VAL . 52098 1 8 . LEU . 52098 1 9 . GLY . 52098 1 10 . VAL . 52098 1 11 . GLN . 52098 1 12 . ARG . 52098 1 13 . HIS . 52098 1 14 . ALA . 52098 1 15 . SER . 52098 1 16 . PRO . 52098 1 17 . GLU . 52098 1 18 . ASP . 52098 1 19 . ILE . 52098 1 20 . LYS . 52098 1 21 . LYS . 52098 1 22 . ALA . 52098 1 23 . TYR . 52098 1 24 . ARG . 52098 1 25 . LYS . 52098 1 26 . LEU . 52098 1 27 . ALA . 52098 1 28 . LEU . 52098 1 29 . LYS . 52098 1 30 . TRP . 52098 1 31 . HIS . 52098 1 32 . PRO . 52098 1 33 . ASP . 52098 1 34 . LYS . 52098 1 35 . ASN . 52098 1 36 . PRO . 52098 1 37 . GLU . 52098 1 38 . ASN . 52098 1 39 . LYS . 52098 1 40 . GLU . 52098 1 41 . GLU . 52098 1 42 . ALA . 52098 1 43 . GLU . 52098 1 44 . ARG . 52098 1 45 . LYS . 52098 1 46 . PHE . 52098 1 47 . LYS . 52098 1 48 . GLN . 52098 1 49 . VAL . 52098 1 50 . ALA . 52098 1 51 . GLU . 52098 1 52 . ALA . 52098 1 53 . TYR . 52098 1 54 . GLU . 52098 1 55 . VAL . 52098 1 56 . LEU . 52098 1 57 . SER . 52098 1 58 . ASP . 52098 1 59 . ALA . 52098 1 60 . LYS . 52098 1 61 . LYS . 52098 1 62 . ARG . 52098 1 63 . ASP . 52098 1 64 . ILE . 52098 1 65 . TYR . 52098 1 66 . ASP . 52098 1 67 . LYS . 52098 1 68 . TYR . 52098 1 69 . GLY . 52098 1 70 . LYS . 52098 1 71 . GLU . 52098 1 72 . GLY . 52098 1 73 . LEU . 52098 1 74 . ASN . 52098 1 75 . GLY . 52098 1 76 . GLY . 52098 1 77 . GLY . 52098 1 78 . GLY . 52098 1 79 . GLY . 52098 1 80 . GLY . 52098 1 81 . SER . 52098 1 82 . HIS . 52098 1 83 . PHE . 52098 1 84 . ASP . 52098 1 85 . SER . 52098 1 86 . PRO . 52098 1 87 . PHE . 52098 1 88 . GLU . 52098 1 89 . PHE . 52098 1 90 . GLY . 52098 1 91 . PHE . 52098 1 92 . THR . 52098 1 93 . PHE . 52098 1 94 . ARG . 52098 1 95 . ASN . 52098 1 96 . PRO . 52098 1 97 . ASP . 52098 1 98 . ASP . 52098 1 99 . VAL . 52098 1 100 . VAL . 52098 1 101 . ARG . 52098 1 102 . GLU . 52098 1 103 . PHE . 52098 1 104 . PHE . 52098 1 105 . GLY . 52098 1 106 . GLY . 52098 1 107 . ARG . 52098 1 108 . ASP . 52098 1 109 . PRO . 52098 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 52098 1 . VAL 2 2 52098 1 . ASP 3 3 52098 1 . TYR 4 4 52098 1 . TYR 5 5 52098 1 . GLU 6 6 52098 1 . VAL 7 7 52098 1 . LEU 8 8 52098 1 . GLY 9 9 52098 1 . VAL 10 10 52098 1 . GLN 11 11 52098 1 . ARG 12 12 52098 1 . HIS 13 13 52098 1 . ALA 14 14 52098 1 . SER 15 15 52098 1 . PRO 16 16 52098 1 . GLU 17 17 52098 1 . ASP 18 18 52098 1 . ILE 19 19 52098 1 . LYS 20 20 52098 1 . LYS 21 21 52098 1 . ALA 22 22 52098 1 . TYR 23 23 52098 1 . ARG 24 24 52098 1 . LYS 25 25 52098 1 . LEU 26 26 52098 1 . ALA 27 27 52098 1 . LEU 28 28 52098 1 . LYS 29 29 52098 1 . TRP 30 30 52098 1 . HIS 31 31 52098 1 . PRO 32 32 52098 1 . ASP 33 33 52098 1 . LYS 34 34 52098 1 . ASN 35 35 52098 1 . PRO 36 36 52098 1 . GLU 37 37 52098 1 . ASN 38 38 52098 1 . LYS 39 39 52098 1 . GLU 40 40 52098 1 . GLU 41 41 52098 1 . ALA 42 42 52098 1 . GLU 43 43 52098 1 . ARG 44 44 52098 1 . LYS 45 45 52098 1 . PHE 46 46 52098 1 . LYS 47 47 52098 1 . GLN 48 48 52098 1 . VAL 49 49 52098 1 . ALA 50 50 52098 1 . GLU 51 51 52098 1 . ALA 52 52 52098 1 . TYR 53 53 52098 1 . GLU 54 54 52098 1 . VAL 55 55 52098 1 . LEU 56 56 52098 1 . SER 57 57 52098 1 . ASP 58 58 52098 1 . ALA 59 59 52098 1 . LYS 60 60 52098 1 . LYS 61 61 52098 1 . ARG 62 62 52098 1 . ASP 63 63 52098 1 . ILE 64 64 52098 1 . TYR 65 65 52098 1 . ASP 66 66 52098 1 . LYS 67 67 52098 1 . TYR 68 68 52098 1 . GLY 69 69 52098 1 . LYS 70 70 52098 1 . GLU 71 71 52098 1 . GLY 72 72 52098 1 . LEU 73 73 52098 1 . ASN 74 74 52098 1 . GLY 75 75 52098 1 . GLY 76 76 52098 1 . GLY 77 77 52098 1 . GLY 78 78 52098 1 . GLY 79 79 52098 1 . GLY 80 80 52098 1 . SER 81 81 52098 1 . HIS 82 82 52098 1 . PHE 83 83 52098 1 . ASP 84 84 52098 1 . SER 85 85 52098 1 . PRO 86 86 52098 1 . PHE 87 87 52098 1 . GLU 88 88 52098 1 . PHE 89 89 52098 1 . GLY 90 90 52098 1 . PHE 91 91 52098 1 . THR 92 92 52098 1 . PHE 93 93 52098 1 . ARG 94 94 52098 1 . ASN 95 95 52098 1 . PRO 96 96 52098 1 . ASP 97 97 52098 1 . ASP 98 98 52098 1 . VAL 99 99 52098 1 . VAL 100 100 52098 1 . ARG 101 101 52098 1 . GLU 102 102 52098 1 . PHE 103 103 52098 1 . PHE 104 104 52098 1 . GLY 105 105 52098 1 . GLY 106 106 52098 1 . ARG 107 107 52098 1 . ASP 108 108 52098 1 . PRO 109 109 52098 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 52098 _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 . . . . . . . . . . . . . 52098 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 52098 _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 . . . 52098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52098 _Sample.ID 1 _Sample.Name 'DNAJB6 JD-GF F100V' _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 F100V' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.1 . . mM . . . . 52098 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 52098 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'DNAJB6 JD-GF F100V' _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 52098 1 pH 7.4 . pH 52098 1 pressure 1 . atm 52098 1 temperature 298 . K 52098 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52098 _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' . 52098 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52098 _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 52098 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52098 1 2 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52098 1 3 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52098 1 4 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52098 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 52098 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DNAJB6 _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 . . . . . 52098 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52098 1 N 15 urea nitrogen . . . . na 0 na direct 1 . . . . . 52098 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 52098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DNAJB6 JD-GF F100V' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52098 1 2 '3D CBCA(CO)NH' . . . 52098 1 3 '3D HN(CA)CO' . . . 52098 1 4 '3D HNCACB' . . . 52098 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 . . 52098 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 13 171.7832105453 . . . . . . . . 2 V C . 52098 1 2 . 1 . 1 2 2 VAL CB C 13 32.9812849932 . . . . . . . . 2 V CB . 52098 1 3 . 1 . 1 3 3 ASP H H 1 8.5288295953 . . . . . . . . 3 D H . 52098 1 4 . 1 . 1 3 3 ASP C C 13 174.0284608305 . . . . . . . . 3 D C . 52098 1 5 . 1 . 1 3 3 ASP CA C 13 52.5779349037 . . . . . . . . 3 D CA . 52098 1 6 . 1 . 1 3 3 ASP CB C 13 42.2585323326 . . . . . . . . 3 D CB . 52098 1 7 . 1 . 1 3 3 ASP N N 15 125.6293964065 . . . . . . . . 3 D N . 52098 1 8 . 1 . 1 4 4 TYR H H 1 7.6396255906 . . . . . . . . 4 Y H . 52098 1 9 . 1 . 1 4 4 TYR C C 13 174.483065838 . . . . . . . . 4 Y C . 52098 1 10 . 1 . 1 4 4 TYR CA C 13 58.4761355018 . . . . . . . . 4 Y CA . 52098 1 11 . 1 . 1 4 4 TYR CB C 13 37.8757021989 . . . . . . . . 4 Y CB . 52098 1 12 . 1 . 1 4 4 TYR N N 15 122.2427546597 . . . . . . . . 4 Y N . 52098 1 13 . 1 . 1 5 5 TYR H H 1 7.8633686252 . . . . . . . . 5 Y H . 52098 1 14 . 1 . 1 5 5 TYR C C 13 175.4279739498 . . . . . . . . 5 Y C . 52098 1 15 . 1 . 1 5 5 TYR CA C 13 62.7399963398 . . . . . . . . 5 Y CA . 52098 1 16 . 1 . 1 5 5 TYR CB C 13 35.6603788436 . . . . . . . . 5 Y CB . 52098 1 17 . 1 . 1 5 5 TYR N N 15 116.2160550988 . . . . . . . . 5 Y N . 52098 1 18 . 1 . 1 6 6 GLU H H 1 7.6367985436 . . . . . . . . 6 E H . 52098 1 19 . 1 . 1 6 6 GLU C C 13 177.7239198498 . . . . . . . . 6 E C . 52098 1 20 . 1 . 1 6 6 GLU CA C 13 59.1184182787 . . . . . . . . 6 E CA . 52098 1 21 . 1 . 1 6 6 GLU CB C 13 29.2485393976 . . . . . . . . 6 E CB . 52098 1 22 . 1 . 1 6 6 GLU N N 15 120.0558999598 . . . . . . . . 6 E N . 52098 1 23 . 1 . 1 7 7 VAL H H 1 8.0828054677 . . . . . . . . 7 V H . 52098 1 24 . 1 . 1 7 7 VAL C C 13 174.736321697 . . . . . . . . 7 V C . 52098 1 25 . 1 . 1 7 7 VAL CA C 13 66.2827806752 . . . . . . . . 7 V CA . 52098 1 26 . 1 . 1 7 7 VAL CB C 13 31.432179125 . . . . . . . . 7 V CB . 52098 1 27 . 1 . 1 7 7 VAL N N 15 119.4348990437 . . . . . . . . 7 V N . 52098 1 28 . 1 . 1 8 8 LEU H H 1 6.9234544206 . . . . . . . . 8 L H . 52098 1 29 . 1 . 1 8 8 LEU C C 13 172.9533254337 . . . . . . . . 8 L C . 52098 1 30 . 1 . 1 8 8 LEU CA C 13 54.4783858497 . . . . . . . . 8 L CA . 52098 1 31 . 1 . 1 8 8 LEU CB C 13 42.5720011682 . . . . . . . . 8 L CB . 52098 1 32 . 1 . 1 8 8 LEU N N 15 113.6727162643 . . . . . . . . 8 L N . 52098 1 33 . 1 . 1 9 9 GLY H H 1 7.9009220605 . . . . . . . . 9 G H . 52098 1 34 . 1 . 1 9 9 GLY C C 13 172.6918217144 . . . . . . . . 9 G C . 52098 1 35 . 1 . 1 9 9 GLY CA C 13 46.5973751396 . . . . . . . . 9 G CA . 52098 1 36 . 1 . 1 9 9 GLY N N 15 108.5985153874 . . . . . . . . 9 G N . 52098 1 37 . 1 . 1 10 10 VAL H H 1 7.8138876764 . . . . . . . . 10 V H . 52098 1 38 . 1 . 1 10 10 VAL C C 13 171.9030684954 . . . . . . . . 10 V C . 52098 1 39 . 1 . 1 10 10 VAL CA C 13 58.2401518881 . . . . . . . . 10 V CA . 52098 1 40 . 1 . 1 10 10 VAL CB C 13 34.765189191 . . . . . . . . 10 V CB . 52098 1 41 . 1 . 1 10 10 VAL N N 15 110.1802844198 . . . . . . . . 10 V N . 52098 1 42 . 1 . 1 11 11 GLN H H 1 8.2027588259 . . . . . . . . 11 Q H . 52098 1 43 . 1 . 1 11 11 GLN C C 13 173.9986180677 . . . . . . . . 11 Q C . 52098 1 44 . 1 . 1 11 11 GLN CA C 13 54.5693381196 . . . . . . . . 11 Q CA . 52098 1 45 . 1 . 1 11 11 GLN CB C 13 29.9595981521 . . . . . . . . 11 Q CB . 52098 1 46 . 1 . 1 11 11 GLN N N 15 117.6480714786 . . . . . . . . 11 Q N . 52098 1 47 . 1 . 1 12 12 ARG H H 1 8.1945304007 . . . . . . . . 12 R H . 52098 1 48 . 1 . 1 12 12 ARG C C 13 173.4975102739 . . . . . . . . 12 R C . 52098 1 49 . 1 . 1 12 12 ARG CA C 13 58.2193860837 . . . . . . . . 12 R CA . 52098 1 50 . 1 . 1 12 12 ARG CB C 13 29.9595981521 . . . . . . . . 12 R CB . 52098 1 51 . 1 . 1 12 12 ARG N N 15 117.6508444521 . . . . . . . . 12 R N . 52098 1 52 . 1 . 1 13 13 HIS H H 1 6.9574126822 . . . . . . . . 13 H H . 52098 1 53 . 1 . 1 13 13 HIS C C 13 172.259845797 . . . . . . . . 13 H C . 52098 1 54 . 1 . 1 13 13 HIS CA C 13 54.6956666705 . . . . . . . . 13 H CA . 52098 1 55 . 1 . 1 13 13 HIS CB C 13 29.3482761032 . . . . . . . . 13 H CB . 52098 1 56 . 1 . 1 13 13 HIS N N 15 111.9085637429 . . . . . . . . 13 H N . 52098 1 57 . 1 . 1 14 14 ALA H H 1 7.3992407555 . . . . . . . . 14 A H . 52098 1 58 . 1 . 1 14 14 ALA C C 13 174.7811367661 . . . . . . . . 14 A C . 52098 1 59 . 1 . 1 14 14 ALA CA C 13 52.8883433752 . . . . . . . . 14 A CA . 52098 1 60 . 1 . 1 14 14 ALA CB C 13 19.6325423829 . . . . . . . . 14 A CB . 52098 1 61 . 1 . 1 14 14 ALA N N 15 123.1280048804 . . . . . . . . 14 A N . 52098 1 62 . 1 . 1 15 15 SER H H 1 9.2436782252 . . . . . . . . 15 S H . 52098 1 63 . 1 . 1 15 15 SER C C 13 170.6690539801 . . . . . . . . 15 S C . 52098 1 64 . 1 . 1 15 15 SER CA C 13 56.3505342435 . . . . . . . . 15 S CA . 52098 1 65 . 1 . 1 15 15 SER CB C 13 63.3035249878 . . . . . . . . 15 S CB . 52098 1 66 . 1 . 1 15 15 SER N N 15 119.5583862036 . . . . . . . . 15 S N . 52098 1 67 . 1 . 1 16 16 PRO C C 13 176.967111364 . . . . . . . . 16 P C . 52098 1 68 . 1 . 1 16 16 PRO CA C 13 65.9587128698 . . . . . . . . 16 P CA . 52098 1 69 . 1 . 1 16 16 PRO CB C 13 32.0534985505 . . . . . . . . 16 P CB . 52098 1 70 . 1 . 1 17 17 GLU H H 1 8.3418248701 . . . . . . . . 17 E H . 52098 1 71 . 1 . 1 17 17 GLU C C 13 175.843152687 . . . . . . . . 17 E C . 52098 1 72 . 1 . 1 17 17 GLU CA C 13 59.783191942 . . . . . . . . 17 E CA . 52098 1 73 . 1 . 1 17 17 GLU CB C 13 29.0665864588 . . . . . . . . 17 E CB . 52098 1 74 . 1 . 1 17 17 GLU N N 15 117.4255931318 . . . . . . . . 17 E N . 52098 1 75 . 1 . 1 18 18 ASP H H 1 8.0258789366 . . . . . . . . 18 D H . 52098 1 76 . 1 . 1 18 18 ASP C C 13 177.1919030994 . . . . . . . . 18 D C . 52098 1 77 . 1 . 1 18 18 ASP CA C 13 57.6438534366 . . . . . . . . 18 D CA . 52098 1 78 . 1 . 1 18 18 ASP CB C 13 40.5368659133 . . . . . . . . 18 D CB . 52098 1 79 . 1 . 1 18 18 ASP N N 15 121.8308426355 . . . . . . . . 18 D N . 52098 1 80 . 1 . 1 19 19 ILE H H 1 7.9578737505 . . . . . . . . 19 I H . 52098 1 81 . 1 . 1 19 19 ILE C C 13 174.0207243264 . . . . . . . . 19 I C . 52098 1 82 . 1 . 1 19 19 ILE CA C 13 56.2592743617 . . . . . . . . 19 I CA . 52098 1 83 . 1 . 1 19 19 ILE CB C 13 37.9033830239 . . . . . . . . 19 I CB . 52098 1 84 . 1 . 1 19 19 ILE N N 15 121.7827030176 . . . . . . . . 19 I N . 52098 1 85 . 1 . 1 20 20 LYS H H 1 7.9500390171 . . . . . . . . 20 K H . 52098 1 86 . 1 . 1 20 20 LYS C C 13 175.7869451046 . . . . . . . . 20 K C . 52098 1 87 . 1 . 1 20 20 LYS CA C 13 60.6890051959 . . . . . . . . 20 K CA . 52098 1 88 . 1 . 1 20 20 LYS CB C 13 32.7023955822 . . . . . . . . 20 K CB . 52098 1 89 . 1 . 1 20 20 LYS N N 15 119.9935149923 . . . . . . . . 20 K N . 52098 1 90 . 1 . 1 21 21 LYS H H 1 8.2263946609 . . . . . . . . 21 K H . 52098 1 91 . 1 . 1 21 21 LYS C C 13 176.3970941007 . . . . . . . . 21 K C . 52098 1 92 . 1 . 1 21 21 LYS CA C 13 60.1444082129 . . . . . . . . 21 K CA . 52098 1 93 . 1 . 1 21 21 LYS CB C 13 32.7010473217 . . . . . . . . 21 K CB . 52098 1 94 . 1 . 1 21 21 LYS N N 15 118.0845339904 . . . . . . . . 21 K N . 52098 1 95 . 1 . 1 22 22 ALA H H 1 7.8027057655 . . . . . . . . 22 A H . 52098 1 96 . 1 . 1 22 22 ALA C C 13 177.0393562019 . . . . . . . . 22 A C . 52098 1 97 . 1 . 1 22 22 ALA CA C 13 58.1878524034 . . . . . . . . 22 A CA . 52098 1 98 . 1 . 1 22 22 ALA CB C 13 28.9227504407 . . . . . . . . 22 A CB . 52098 1 99 . 1 . 1 22 22 ALA N N 15 122.1322375223 . . . . . . . . 22 A N . 52098 1 100 . 1 . 1 23 23 TYR H H 1 8.2388600584 . . . . . . . . 23 Y H . 52098 1 101 . 1 . 1 23 23 TYR C C 13 173.0974711478 . . . . . . . . 23 Y C . 52098 1 102 . 1 . 1 23 23 TYR CA C 13 61.1563607976 . . . . . . . . 23 Y CA . 52098 1 103 . 1 . 1 23 23 TYR CB C 13 38.8592738658 . . . . . . . . 23 Y CB . 52098 1 104 . 1 . 1 23 23 TYR N N 15 117.2666164801 . . . . . . . . 23 Y N . 52098 1 105 . 1 . 1 24 24 ARG H H 1 8.0894238437 . . . . . . . . 24 R H . 52098 1 106 . 1 . 1 24 24 ARG C C 13 176.0679290593 . . . . . . . . 24 R C . 52098 1 107 . 1 . 1 24 24 ARG CA C 13 59.5792658142 . . . . . . . . 24 R CA . 52098 1 108 . 1 . 1 24 24 ARG CB C 13 29.6185815891 . . . . . . . . 24 R CB . 52098 1 109 . 1 . 1 24 24 ARG N N 15 117.0861373671 . . . . . . . . 24 R N . 52098 1 110 . 1 . 1 25 25 LYS H H 1 7.3085688096 . . . . . . . . 25 K H . 52098 1 111 . 1 . 1 25 25 LYS C C 13 176.806898823 . . . . . . . . 25 K C . 52098 1 112 . 1 . 1 25 25 LYS CA C 13 59.4916567761 . . . . . . . . 25 K CA . 52098 1 113 . 1 . 1 25 25 LYS CB C 13 32.5321309492 . . . . . . . . 25 K CB . 52098 1 114 . 1 . 1 25 25 LYS N N 15 115.8124138166 . . . . . . . . 25 K N . 52098 1 115 . 1 . 1 26 26 LEU H H 1 7.9303584657 . . . . . . . . 26 L H . 52098 1 116 . 1 . 1 26 26 LEU C C 13 175.4959134553 . . . . . . . . 26 L C . 52098 1 117 . 1 . 1 26 26 LEU CA C 13 57.6769870669 . . . . . . . . 26 L CA . 52098 1 118 . 1 . 1 26 26 LEU CB C 13 43.1610585377 . . . . . . . . 26 L CB . 52098 1 119 . 1 . 1 26 26 LEU N N 15 121.1014873137 . . . . . . . . 26 L N . 52098 1 120 . 1 . 1 27 27 ALA H H 1 8.9782215269 . . . . . . . . 27 A H . 52098 1 121 . 1 . 1 27 27 ALA C C 13 176.6476971693 . . . . . . . . 27 A C . 52098 1 122 . 1 . 1 27 27 ALA CA C 13 55.0464624434 . . . . . . . . 27 A CA . 52098 1 123 . 1 . 1 27 27 ALA CB C 13 17.1507190118 . . . . . . . . 27 A CB . 52098 1 124 . 1 . 1 27 27 ALA N N 15 122.8145651566 . . . . . . . . 27 A N . 52098 1 125 . 1 . 1 28 28 LEU H H 1 7.0789263984 . . . . . . . . 28 L H . 52098 1 126 . 1 . 1 28 28 LEU C C 13 176.067117935 . . . . . . . . 28 L C . 52098 1 127 . 1 . 1 28 28 LEU CA C 13 57.2080809534 . . . . . . . . 28 L CA . 52098 1 128 . 1 . 1 28 28 LEU CB C 13 41.8616113583 . . . . . . . . 28 L CB . 52098 1 129 . 1 . 1 28 28 LEU N N 15 114.3051017129 . . . . . . . . 28 L N . 52098 1 130 . 1 . 1 29 29 LYS H H 1 7.3225139195 . . . . . . . . 29 K H . 52098 1 131 . 1 . 1 29 29 LYS C C 13 175.67383896 . . . . . . . . 29 K C . 52098 1 132 . 1 . 1 29 29 LYS CA C 13 58.9292754815 . . . . . . . . 29 K CA . 52098 1 133 . 1 . 1 29 29 LYS CB C 13 33.0611988125 . . . . . . . . 29 K CB . 52098 1 134 . 1 . 1 29 29 LYS N N 15 118.2691914608 . . . . . . . . 29 K N . 52098 1 135 . 1 . 1 30 30 TRP H H 1 7.9886648026 . . . . . . . . 30 W H . 52098 1 136 . 1 . 1 30 30 TRP HE1 H 1 10.2774534718 . . . . . . . . 30 W HE1 . 52098 1 137 . 1 . 1 30 30 TRP C C 13 170.523539301 . . . . . . . . 30 W C . 52098 1 138 . 1 . 1 30 30 TRP CA C 13 56.1113695709 . . . . . . . . 30 W CA . 52098 1 139 . 1 . 1 30 30 TRP CB C 13 29.7212706394 . . . . . . . . 30 W CB . 52098 1 140 . 1 . 1 30 30 TRP N N 15 114.1683770538 . . . . . . . . 30 W N . 52098 1 141 . 1 . 1 30 30 TRP NE1 N 15 126.726728435 . . . . . . . . 30 W NE1 . 52098 1 142 . 1 . 1 31 31 HIS H H 1 7.1309735042 . . . . . . . . 31 H H . 52098 1 143 . 1 . 1 31 31 HIS C C 13 174.5407855418 . . . . . . . . 31 H C . 52098 1 144 . 1 . 1 31 31 HIS CA C 13 57.1153465597 . . . . . . . . 31 H CA . 52098 1 145 . 1 . 1 31 31 HIS CB C 13 30.7724298312 . . . . . . . . 31 H CB . 52098 1 146 . 1 . 1 31 31 HIS N N 15 120.5876999345 . . . . . . . . 31 H N . 52098 1 147 . 1 . 1 32 32 PRO CA C 13 66.2251853203 . . . . . . . . 32 P CA . 52098 1 148 . 1 . 1 32 32 PRO CB C 13 32.1749180503 . . . . . . . . 32 P CB . 52098 1 149 . 1 . 1 33 33 ASP H H 1 10.519403292 . . . . . . . . 33 D H . 52098 1 150 . 1 . 1 33 33 ASP C C 13 175.2899208572 . . . . . . . . 33 D C . 52098 1 151 . 1 . 1 33 33 ASP CA C 13 56.793425168 . . . . . . . . 33 D CA . 52098 1 152 . 1 . 1 33 33 ASP CB C 13 39.9623669326 . . . . . . . . 33 D CB . 52098 1 153 . 1 . 1 33 33 ASP N N 15 119.8898601295 . . . . . . . . 33 D N . 52098 1 154 . 1 . 1 34 34 LYS H H 1 7.780314099 . . . . . . . . 34 K H . 52098 1 155 . 1 . 1 34 34 LYS C C 13 172.8926904704 . . . . . . . . 34 K C . 52098 1 156 . 1 . 1 34 34 LYS CA C 13 54.2911280244 . . . . . . . . 34 K CA . 52098 1 157 . 1 . 1 34 34 LYS CB C 13 32.2511881092 . . . . . . . . 34 K CB . 52098 1 158 . 1 . 1 34 34 LYS N N 15 116.0495279986 . . . . . . . . 34 K N . 52098 1 159 . 1 . 1 35 35 ASN H H 1 7.4880295404 . . . . . . . . 35 N H . 52098 1 160 . 1 . 1 35 35 ASN C C 13 169.3904867023 . . . . . . . . 35 N C . 52098 1 161 . 1 . 1 35 35 ASN CA C 13 52.3002174422 . . . . . . . . 35 N CA . 52098 1 162 . 1 . 1 35 35 ASN CB C 13 42.10243661 . . . . . . . . 35 N CB . 52098 1 163 . 1 . 1 35 35 ASN N N 15 118.4597333681 . . . . . . . . 35 N N . 52098 1 164 . 1 . 1 36 36 PRO C C 13 175.5614924505 . . . . . . . . 36 P C . 52098 1 165 . 1 . 1 36 36 PRO CA C 13 65.3135551003 . . . . . . . . 36 P CA . 52098 1 166 . 1 . 1 36 36 PRO CB C 13 31.6566985739 . . . . . . . . 36 P CB . 52098 1 167 . 1 . 1 37 37 GLU H H 1 8.6928213776 . . . . . . . . 37 E H . 52098 1 168 . 1 . 1 37 37 GLU C C 13 173.2953606006 . . . . . . . . 37 E C . 52098 1 169 . 1 . 1 37 37 GLU CA C 13 56.8383913839 . . . . . . . . 37 E CA . 52098 1 170 . 1 . 1 37 37 GLU CB C 13 29.2707753245 . . . . . . . . 37 E CB . 52098 1 171 . 1 . 1 37 37 GLU N N 15 117.0724513411 . . . . . . . . 37 E N . 52098 1 172 . 1 . 1 38 38 ASN H H 1 7.8741252749 . . . . . . . . 38 N H . 52098 1 173 . 1 . 1 38 38 ASN C C 13 172.5087693799 . . . . . . . . 38 N C . 52098 1 174 . 1 . 1 38 38 ASN CA C 13 52.2759203084 . . . . . . . . 38 N CA . 52098 1 175 . 1 . 1 38 38 ASN CB C 13 38.5799154252 . . . . . . . . 38 N CB . 52098 1 176 . 1 . 1 38 38 ASN N N 15 119.7155322731 . . . . . . . . 38 N N . 52098 1 177 . 1 . 1 39 39 LYS H H 1 8.1044325164 . . . . . . . . 39 K H . 52098 1 178 . 1 . 1 39 39 LYS C C 13 175.7113193497 . . . . . . . . 39 K C . 52098 1 179 . 1 . 1 39 39 LYS CA C 13 60.9292755866 . . . . . . . . 39 K CA . 52098 1 180 . 1 . 1 39 39 LYS CB C 13 33.2754788894 . . . . . . . . 39 K CB . 52098 1 181 . 1 . 1 39 39 LYS N N 15 121.7565959124 . . . . . . . . 39 K N . 52098 1 182 . 1 . 1 40 40 GLU H H 1 8.5296305328 . . . . . . . . 40 E H . 52098 1 183 . 1 . 1 40 40 GLU C C 13 176.6290091071 . . . . . . . . 40 E C . 52098 1 184 . 1 . 1 40 40 GLU CA C 13 60.2923919015 . . . . . . . . 40 E CA . 52098 1 185 . 1 . 1 40 40 GLU CB C 13 28.7090277766 . . . . . . . . 40 E CB . 52098 1 186 . 1 . 1 40 40 GLU N N 15 118.782684541 . . . . . . . . 40 E N . 52098 1 187 . 1 . 1 41 41 GLU H H 1 8.1226446998 . . . . . . . . 41 E H . 52098 1 188 . 1 . 1 41 41 GLU CA C 13 58.5594002008 . . . . . . . . 41 E CA . 52098 1 189 . 1 . 1 41 41 GLU CB C 13 29.1326856315 . . . . . . . . 41 E CB . 52098 1 190 . 1 . 1 41 41 GLU N N 15 120.2951775196 . . . . . . . . 41 E N . 52098 1 191 . 1 . 1 42 42 ALA H H 1 8.0144196525 . . . . . . . . 42 A H . 52098 1 192 . 1 . 1 42 42 ALA C C 13 175.7300405074 . . . . . . . . 42 A C . 52098 1 193 . 1 . 1 42 42 ALA CA C 13 55.8512607371 . . . . . . . . 42 A CA . 52098 1 194 . 1 . 1 42 42 ALA CB C 13 17.9237756016 . . . . . . . . 42 A CB . 52098 1 195 . 1 . 1 42 42 ALA N N 15 120.1966327213 . . . . . . . . 42 A N . 52098 1 196 . 1 . 1 43 43 GLU H H 1 8.5015180866 . . . . . . . . 43 E H . 52098 1 197 . 1 . 1 43 43 GLU C C 13 176.1982495673 . . . . . . . . 43 E C . 52098 1 198 . 1 . 1 43 43 GLU CA C 13 60.1081745765 . . . . . . . . 43 E CA . 52098 1 199 . 1 . 1 43 43 GLU CB C 13 29.4410018541 . . . . . . . . 43 E CB . 52098 1 200 . 1 . 1 43 43 GLU N N 15 116.6312805898 . . . . . . . . 43 E N . 52098 1 201 . 1 . 1 44 44 ARG H H 1 7.4597087014 . . . . . . . . 44 R H . 52098 1 202 . 1 . 1 44 44 ARG C C 13 176.7601004392 . . . . . . . . 44 R C . 52098 1 203 . 1 . 1 44 44 ARG CA C 13 59.284497872 . . . . . . . . 44 R CA . 52098 1 204 . 1 . 1 44 44 ARG CB C 13 29.6543658053 . . . . . . . . 44 R CB . 52098 1 205 . 1 . 1 44 44 ARG N N 15 118.3800356801 . . . . . . . . 44 R N . 52098 1 206 . 1 . 1 45 45 LYS CA C 13 58.3836949598 . . . . . . . . 45 K CA . 52098 1 207 . 1 . 1 45 45 LYS CB C 13 31.1042298239 . . . . . . . . 45 K CB . 52098 1 208 . 1 . 1 46 46 PHE H H 1 9.3167616079 . . . . . . . . 46 F H . 52098 1 209 . 1 . 1 46 46 PHE C C 13 174.905992562 . . . . . . . . 46 F C . 52098 1 210 . 1 . 1 46 46 PHE CA C 13 62.1761270102 . . . . . . . . 46 F CA . 52098 1 211 . 1 . 1 46 46 PHE CB C 13 39.4467402648 . . . . . . . . 46 F CB . 52098 1 212 . 1 . 1 46 46 PHE N N 15 120.5663973591 . . . . . . . . 46 F N . 52098 1 213 . 1 . 1 47 47 LYS H H 1 7.9839187689 . . . . . . . . 47 K H . 52098 1 214 . 1 . 1 47 47 LYS C C 13 176.2357062921 . . . . . . . . 47 K C . 52098 1 215 . 1 . 1 47 47 LYS CA C 13 59.5219975856 . . . . . . . . 47 K CA . 52098 1 216 . 1 . 1 47 47 LYS CB C 13 32.5926402641 . . . . . . . . 47 K CB . 52098 1 217 . 1 . 1 47 47 LYS N N 15 118.0150191066 . . . . . . . . 47 K N . 52098 1 218 . 1 . 1 48 48 GLN H H 1 7.5149635068 . . . . . . . . 48 Q H . 52098 1 219 . 1 . 1 48 48 GLN C C 13 175.9734931104 . . . . . . . . 48 Q C . 52098 1 220 . 1 . 1 48 48 GLN CA C 13 54.1077959016 . . . . . . . . 48 Q CA . 52098 1 221 . 1 . 1 48 48 GLN CB C 13 28.8895702276 . . . . . . . . 48 Q CB . 52098 1 222 . 1 . 1 48 48 GLN N N 15 118.8203749934 . . . . . . . . 48 Q N . 52098 1 223 . 1 . 1 49 49 VAL C C 13 175.1681735273 . . . . . . . . 49 V C . 52098 1 224 . 1 . 1 49 49 VAL CA C 13 66.1224537047 . . . . . . . . 49 V CA . 52098 1 225 . 1 . 1 49 49 VAL CB C 13 31.5069552324 . . . . . . . . 49 V CB . 52098 1 226 . 1 . 1 50 50 ALA H H 1 7.8729099131 . . . . . . . . 50 A H . 52098 1 227 . 1 . 1 50 50 ALA CA C 13 55.5808238822 . . . . . . . . 50 A CA . 52098 1 228 . 1 . 1 50 50 ALA CB C 13 17.6928856689 . . . . . . . . 50 A CB . 52098 1 229 . 1 . 1 50 50 ALA N N 15 121.7844298561 . . . . . . . . 50 A N . 52098 1 230 . 1 . 1 51 51 GLU H H 1 7.7925984271 . . . . . . . . 51 E H . 52098 1 231 . 1 . 1 51 51 GLU CA C 13 59.256050611 . . . . . . . . 51 E CA . 52098 1 232 . 1 . 1 51 51 GLU CB C 13 29.622249549 . . . . . . . . 51 E CB . 52098 1 233 . 1 . 1 51 51 GLU N N 15 119.3035314761 . . . . . . . . 51 E N . 52098 1 234 . 1 . 1 52 52 ALA H H 1 7.5443133149 . . . . . . . . 52 A H . 52098 1 235 . 1 . 1 52 52 ALA C C 13 175.3231995702 . . . . . . . . 52 A C . 52098 1 236 . 1 . 1 52 52 ALA CA C 13 54.1077959016 . . . . . . . . 52 A CA . 52098 1 237 . 1 . 1 52 52 ALA CB C 13 18.6361734569 . . . . . . . . 52 A CB . 52098 1 238 . 1 . 1 52 52 ALA N N 15 118.8386758772 . . . . . . . . 52 A N . 52098 1 239 . 1 . 1 53 53 TYR H H 1 8.1433381484 . . . . . . . . 53 Y H . 52098 1 240 . 1 . 1 53 53 TYR C C 13 174.6006547064 . . . . . . . . 53 Y C . 52098 1 241 . 1 . 1 53 53 TYR CA C 13 61.3944280487 . . . . . . . . 53 Y CA . 52098 1 242 . 1 . 1 53 53 TYR CB C 13 39.3312385259 . . . . . . . . 53 Y CB . 52098 1 243 . 1 . 1 53 53 TYR N N 15 115.9889768888 . . . . . . . . 53 Y N . 52098 1 244 . 1 . 1 54 54 GLU H H 1 8.1467387998 . . . . . . . . 54 E H . 52098 1 245 . 1 . 1 54 54 GLU C C 13 174.528397426 . . . . . . . . 54 E C . 52098 1 246 . 1 . 1 54 54 GLU CA C 13 59.8190046792 . . . . . . . . 54 E CA . 52098 1 247 . 1 . 1 54 54 GLU CB C 13 29.040464776 . . . . . . . . 54 E CB . 52098 1 248 . 1 . 1 54 54 GLU N N 15 121.7183117447 . . . . . . . . 54 E N . 52098 1 249 . 1 . 1 55 55 VAL H H 1 6.6671689536 . . . . . . . . 55 V H . 52098 1 250 . 1 . 1 55 55 VAL C C 13 173.0833076984 . . . . . . . . 55 V C . 52098 1 251 . 1 . 1 55 55 VAL CA C 13 65.7437802694 . . . . . . . . 55 V CA . 52098 1 252 . 1 . 1 55 55 VAL CB C 13 31.5963552742 . . . . . . . . 55 V CB . 52098 1 253 . 1 . 1 55 55 VAL N N 15 114.5945325901 . . . . . . . . 55 V N . 52098 1 254 . 1 . 1 56 56 LEU H H 1 7.597678527 . . . . . . . . 56 L H . 52098 1 255 . 1 . 1 56 56 LEU C C 13 174.4641712159 . . . . . . . . 56 L C . 52098 1 256 . 1 . 1 56 56 LEU CA C 13 56.5509266905 . . . . . . . . 56 L CA . 52098 1 257 . 1 . 1 56 56 LEU CB C 13 41.5733446227 . . . . . . . . 56 L CB . 52098 1 258 . 1 . 1 56 56 LEU N N 15 110.6563054006 . . . . . . . . 56 L N . 52098 1 259 . 1 . 1 57 57 SER H H 1 7.7350719471 . . . . . . . . 57 S H . 52098 1 260 . 1 . 1 57 57 SER C C 13 170.5593010411 . . . . . . . . 57 S C . 52098 1 261 . 1 . 1 57 57 SER CA C 13 59.0858551804 . . . . . . . . 57 S CA . 52098 1 262 . 1 . 1 57 57 SER CB C 13 63.4197848402 . . . . . . . . 57 S CB . 52098 1 263 . 1 . 1 57 57 SER N N 15 108.9652582672 . . . . . . . . 57 S N . 52098 1 264 . 1 . 1 58 58 ASP H H 1 6.819355243 . . . . . . . . 58 D H . 52098 1 265 . 1 . 1 58 58 ASP C C 13 171.832829684 . . . . . . . . 58 D C . 52098 1 266 . 1 . 1 58 58 ASP CA C 13 52.2693249915 . . . . . . . . 58 D CA . 52098 1 267 . 1 . 1 58 58 ASP CB C 13 43.1749069603 . . . . . . . . 58 D CB . 52098 1 268 . 1 . 1 58 58 ASP N N 15 124.7921277434 . . . . . . . . 58 D N . 52098 1 269 . 1 . 1 59 59 ALA H H 1 8.7325376635 . . . . . . . . 59 A H . 52098 1 270 . 1 . 1 59 59 ALA C C 13 177.3389682285 . . . . . . . . 59 A C . 52098 1 271 . 1 . 1 59 59 ALA CA C 13 55.8354726932 . . . . . . . . 59 A CA . 52098 1 272 . 1 . 1 59 59 ALA CB C 13 18.6237843463 . . . . . . . . 59 A CB . 52098 1 273 . 1 . 1 59 59 ALA N N 15 127.457376071 . . . . . . . . 59 A N . 52098 1 274 . 1 . 1 60 60 LYS H H 1 7.8627908009 . . . . . . . . 60 K H . 52098 1 275 . 1 . 1 60 60 LYS C C 13 176.7864675093 . . . . . . . . 60 K C . 52098 1 276 . 1 . 1 60 60 LYS CA C 13 59.2440693527 . . . . . . . . 60 K CA . 52098 1 277 . 1 . 1 60 60 LYS CB C 13 25.3551065624 . . . . . . . . 60 K CB . 52098 1 278 . 1 . 1 60 60 LYS N N 15 115.8950574759 . . . . . . . . 60 K N . 52098 1 279 . 1 . 1 61 61 LYS CA C 13 60.4285990533 . . . . . . . . 61 K CA . 52098 1 280 . 1 . 1 61 61 LYS CB C 13 32.866261088 . . . . . . . . 61 K CB . 52098 1 281 . 1 . 1 62 62 ARG H H 1 9.2151702762 . . . . . . . . 62 R H . 52098 1 282 . 1 . 1 62 62 ARG C C 13 174.5203356594 . . . . . . . . 62 R C . 52098 1 283 . 1 . 1 62 62 ARG CA C 13 60.4285990533 . . . . . . . . 62 R CA . 52098 1 284 . 1 . 1 62 62 ARG CB C 13 29.6938940373 . . . . . . . . 62 R CB . 52098 1 285 . 1 . 1 62 62 ARG N N 15 121.2554228825 . . . . . . . . 62 R N . 52098 1 286 . 1 . 1 63 63 ASP H H 1 7.4536701007 . . . . . . . . 63 D H . 52098 1 287 . 1 . 1 63 63 ASP C C 13 175.7938643023 . . . . . . . . 63 D C . 52098 1 288 . 1 . 1 63 63 ASP CA C 13 57.7804590167 . . . . . . . . 63 D CA . 52098 1 289 . 1 . 1 63 63 ASP CB C 13 41.4839186528 . . . . . . . . 63 D CB . 52098 1 290 . 1 . 1 63 63 ASP N N 15 116.8214894548 . . . . . . . . 63 D N . 52098 1 291 . 1 . 1 64 64 ILE H H 1 7.4108524995 . . . . . . . . 64 I H . 52098 1 292 . 1 . 1 64 64 ILE C C 13 175.1383716185 . . . . . . . . 64 I C . 52098 1 293 . 1 . 1 64 64 ILE CA C 13 64.7931347614 . . . . . . . . 64 I CA . 52098 1 294 . 1 . 1 64 64 ILE CB C 13 37.7962481711 . . . . . . . . 64 I CB . 52098 1 295 . 1 . 1 64 64 ILE N N 15 118.2065402086 . . . . . . . . 64 I N . 52098 1 296 . 1 . 1 65 65 TYR H H 1 8.8916378031 . . . . . . . . 65 Y H . 52098 1 297 . 1 . 1 65 65 TYR C C 13 176.0747897383 . . . . . . . . 65 Y C . 52098 1 298 . 1 . 1 65 65 TYR CA C 13 61.6353427523 . . . . . . . . 65 Y CA . 52098 1 299 . 1 . 1 65 65 TYR CB C 13 38.8361891442 . . . . . . . . 65 Y CB . 52098 1 300 . 1 . 1 65 65 TYR N N 15 122.0508008618 . . . . . . . . 65 Y N . 52098 1 301 . 1 . 1 66 66 ASP H H 1 9.2726122709 . . . . . . . . 66 D H . 52098 1 302 . 1 . 1 66 66 ASP CA C 13 57.096487334 . . . . . . . . 66 D CA . 52098 1 303 . 1 . 1 66 66 ASP CB C 13 39.9995581797 . . . . . . . . 66 D CB . 52098 1 304 . 1 . 1 66 66 ASP N N 15 120.7297793472 . . . . . . . . 66 D N . 52098 1 305 . 1 . 1 67 67 LYS H H 1 7.4291535376 . . . . . . . . 67 K H . 52098 1 306 . 1 . 1 67 67 LYS C C 13 175.1794962734 . . . . . . . . 67 K C . 52098 1 307 . 1 . 1 67 67 LYS CA C 13 58.5026996906 . . . . . . . . 67 K CA . 52098 1 308 . 1 . 1 67 67 LYS CB C 13 33.7054253316 . . . . . . . . 67 K CB . 52098 1 309 . 1 . 1 67 67 LYS N N 15 117.7403143606 . . . . . . . . 67 K N . 52098 1 310 . 1 . 1 68 68 TYR H H 1 8.4316699845 . . . . . . . . 68 Y H . 52098 1 311 . 1 . 1 68 68 TYR C C 13 174.0876507014 . . . . . . . . 68 Y C . 52098 1 312 . 1 . 1 68 68 TYR CA C 13 58.1581327082 . . . . . . . . 68 Y CA . 52098 1 313 . 1 . 1 68 68 TYR CB C 13 40.0787425554 . . . . . . . . 68 Y CB . 52098 1 314 . 1 . 1 68 68 TYR N N 15 116.0996110009 . . . . . . . . 68 Y N . 52098 1 315 . 1 . 1 69 69 GLY H H 1 8.1840116221 . . . . . . . . 69 G H . 52098 1 316 . 1 . 1 69 69 GLY C C 13 171.406206429 . . . . . . . . 69 G C . 52098 1 317 . 1 . 1 69 69 GLY CA C 13 45.1423816532 . . . . . . . . 69 G CA . 52098 1 318 . 1 . 1 69 69 GLY N N 15 109.680798487 . . . . . . . . 69 G N . 52098 1 319 . 1 . 1 70 70 LYS H H 1 8.4617915141 . . . . . . . . 70 K H . 52098 1 320 . 1 . 1 70 70 LYS C C 13 175.476534754 . . . . . . . . 70 K C . 52098 1 321 . 1 . 1 70 70 LYS CA C 13 58.8162466213 . . . . . . . . 70 K CA . 52098 1 322 . 1 . 1 70 70 LYS CB C 13 32.5635111928 . . . . . . . . 70 K CB . 52098 1 323 . 1 . 1 70 70 LYS N N 15 120.1150816474 . . . . . . . . 70 K N . 52098 1 324 . 1 . 1 71 71 GLU H H 1 8.7732521062 . . . . . . . . 71 E H . 52098 1 325 . 1 . 1 71 71 GLU C C 13 174.8663844913 . . . . . . . . 71 E C . 52098 1 326 . 1 . 1 71 71 GLU CA C 13 58.4543075102 . . . . . . . . 71 E CA . 52098 1 327 . 1 . 1 71 71 GLU CB C 13 29.170288433 . . . . . . . . 71 E CB . 52098 1 328 . 1 . 1 71 71 GLU N N 15 118.4961154431 . . . . . . . . 71 E N . 52098 1 329 . 1 . 1 72 72 GLY H H 1 7.7288433542 . . . . . . . . 72 G H . 52098 1 330 . 1 . 1 72 72 GLY C C 13 170.9325291216 . . . . . . . . 72 G C . 52098 1 331 . 1 . 1 72 72 GLY CA C 13 45.8182372451 . . . . . . . . 72 G CA . 52098 1 332 . 1 . 1 72 72 GLY N N 15 105.7530620362 . . . . . . . . 72 G N . 52098 1 333 . 1 . 1 73 73 LEU H H 1 7.6470476529 . . . . . . . . 73 L H . 52098 1 334 . 1 . 1 73 73 LEU C C 13 174.5051140487 . . . . . . . . 73 L C . 52098 1 335 . 1 . 1 73 73 LEU CA C 13 55.4596619346 . . . . . . . . 73 L CA . 52098 1 336 . 1 . 1 73 73 LEU CB C 13 42.0218417464 . . . . . . . . 73 L CB . 52098 1 337 . 1 . 1 73 73 LEU N N 15 119.7642825814 . . . . . . . . 73 L N . 52098 1 338 . 1 . 1 74 74 ASN H H 1 7.9758755186 . . . . . . . . 74 N H . 52098 1 339 . 1 . 1 74 74 ASN C C 13 173.1242505312 . . . . . . . . 74 N C . 52098 1 340 . 1 . 1 74 74 ASN CA C 13 53.5556813118 . . . . . . . . 74 N CA . 52098 1 341 . 1 . 1 74 74 ASN CB C 13 38.822606284 . . . . . . . . 74 N CB . 52098 1 342 . 1 . 1 74 74 ASN N N 15 117.3763080899 . . . . . . . . 74 N N . 52098 1 343 . 1 . 1 75 75 GLY H H 1 8.1733424902 . . . . . . . . 75 G H . 52098 1 344 . 1 . 1 75 75 GLY CA C 13 45.1609571353 . . . . . . . . 75 G CA . 52098 1 345 . 1 . 1 75 75 GLY N N 15 108.355206 . . . . . . . . 75 G N . 52098 1 346 . 1 . 1 76 76 GLY H H 1 8.2231777512 . . . . . . . . 76 G H . 52098 1 347 . 1 . 1 76 76 GLY CA C 13 45.4897626778 . . . . . . . . 76 G CA . 52098 1 348 . 1 . 1 76 76 GLY N N 15 108.4873656931 . . . . . . . . 76 G N . 52098 1 349 . 1 . 1 77 77 GLY H H 1 8.2174493292 . . . . . . . . 77 G H . 52098 1 350 . 1 . 1 77 77 GLY CA C 13 45.1460914435 . . . . . . . . 77 G CA . 52098 1 351 . 1 . 1 77 77 GLY N N 15 108.4823710614 . . . . . . . . 77 G N . 52098 1 352 . 1 . 1 78 78 GLY H H 1 8.2263450992 . . . . . . . . 78 G H . 52098 1 353 . 1 . 1 78 78 GLY CA C 13 45.4897626778 . . . . . . . . 78 G CA . 52098 1 354 . 1 . 1 78 78 GLY N N 15 108.5073417297 . . . . . . . . 78 G N . 52098 1 355 . 1 . 1 79 79 GLY H H 1 8.2518022124 . . . . . . . . 79 G H . 52098 1 356 . 1 . 1 79 79 GLY CA C 13 45.1460914435 . . . . . . . . 79 G CA . 52098 1 357 . 1 . 1 79 79 GLY N N 15 108.4939102707 . . . . . . . . 79 G N . 52098 1 358 . 1 . 1 80 80 GLY H H 1 7.9478419001 . . . . . . . . 80 G H . 52098 1 359 . 1 . 1 80 80 GLY CA C 13 45.2702939023 . . . . . . . . 80 G CA . 52098 1 360 . 1 . 1 80 80 GLY N N 15 108.1149409728 . . . . . . . . 80 G N . 52098 1 361 . 1 . 1 81 81 SER H H 1 8.1491794471 . . . . . . . . 81 S H . 52098 1 362 . 1 . 1 81 81 SER C C 13 171.486 . . . . . . . . 81 S C . 52098 1 363 . 1 . 1 81 81 SER CA C 13 58.3321152255 . . . . . . . . 81 S CA . 52098 1 364 . 1 . 1 81 81 SER CB C 13 63.8458381593 . . . . . . . . 81 S CB . 52098 1 365 . 1 . 1 81 81 SER N N 15 115.2703274808 . . . . . . . . 81 S N . 52098 1 366 . 1 . 1 82 82 HIS CA C 13 63.437386686 . . . . . . . . 82 H CA . 52098 1 367 . 1 . 1 82 82 HIS CB C 13 31.9336407762 . . . . . . . . 82 H CB . 52098 1 368 . 1 . 1 83 83 PHE H H 1 7.9048027361 . . . . . . . . 83 F H . 52098 1 369 . 1 . 1 83 83 PHE C C 13 172.3856158853 . . . . . . . . 83 F C . 52098 1 370 . 1 . 1 83 83 PHE CA C 13 57.687150748 . . . . . . . . 83 F CA . 52098 1 371 . 1 . 1 83 83 PHE CB C 13 39.6591604336 . . . . . . . . 83 F CB . 52098 1 372 . 1 . 1 83 83 PHE N N 15 119.3355290787 . . . . . . . . 83 F N . 52098 1 373 . 1 . 1 84 84 ASP H H 1 8.1954824451 . . . . . . . . 84 D H . 52098 1 374 . 1 . 1 84 84 ASP C C 13 172.8711660504 . . . . . . . . 84 D C . 52098 1 375 . 1 . 1 84 84 ASP CA C 13 54.1701890584 . . . . . . . . 84 D CA . 52098 1 376 . 1 . 1 84 84 ASP CB C 13 41.2140453017 . . . . . . . . 84 D CB . 52098 1 377 . 1 . 1 84 84 ASP N N 15 121.1029848864 . . . . . . . . 84 D N . 52098 1 378 . 1 . 1 85 85 SER H H 1 7.9662366008 . . . . . . . . 85 S H . 52098 1 379 . 1 . 1 85 85 SER C C 13 170.2385906142 . . . . . . . . 85 S C . 52098 1 380 . 1 . 1 85 85 SER CA C 13 56.1530368328 . . . . . . . . 85 S CA . 52098 1 381 . 1 . 1 85 85 SER CB C 13 63.6676558787 . . . . . . . . 85 S CB . 52098 1 382 . 1 . 1 85 85 SER N N 15 115.9560660531 . . . . . . . . 85 S N . 52098 1 383 . 1 . 1 86 86 PRO CA C 13 63.437386686 . . . . . . . . 86 P CA . 52098 1 384 . 1 . 1 86 86 PRO CB C 13 31.9336407762 . . . . . . . . 86 P CB . 52098 1 385 . 1 . 1 87 87 PHE H H 1 7.9147264434 . . . . . . . . 87 F H . 52098 1 386 . 1 . 1 87 87 PHE C C 13 172.699 . . . . . . . . 87 F C . 52098 1 387 . 1 . 1 87 87 PHE CA C 13 57.6901074797 . . . . . . . . 87 F CA . 52098 1 388 . 1 . 1 87 87 PHE CB C 13 39.3592016548 . . . . . . . . 87 F CB . 52098 1 389 . 1 . 1 87 87 PHE N N 15 119.0308343954 . . . . . . . . 87 F N . 52098 1 390 . 1 . 1 88 88 GLU H H 1 7.95368859 . . . . . . . . 88 E H . 52098 1 391 . 1 . 1 88 88 GLU C C 13 173.092 . . . . . . . . 88 E C . 52098 1 392 . 1 . 1 88 88 GLU CA C 13 56.3140407793 . . . . . . . . 88 E CA . 52098 1 393 . 1 . 1 88 88 GLU CB C 13 30.2054206104 . . . . . . . . 88 E CB . 52098 1 394 . 1 . 1 88 88 GLU N N 15 121.6435495627 . . . . . . . . 88 E N . 52098 1 395 . 1 . 1 89 89 PHE H H 1 7.9956844397 . . . . . . . . 89 F H . 52098 1 396 . 1 . 1 89 89 PHE C C 13 173.256 . . . . . . . . 89 F C . 52098 1 397 . 1 . 1 89 89 PHE CA C 13 58.1555639245 . . . . . . . . 89 F CA . 52098 1 398 . 1 . 1 89 89 PHE CB C 13 39.4768602252 . . . . . . . . 89 F CB . 52098 1 399 . 1 . 1 89 89 PHE N N 15 120.0636512022 . . . . . . . . 89 F N . 52098 1 400 . 1 . 1 90 90 GLY H H 1 8.1552313712 . . . . . . . . 90 G H . 52098 1 401 . 1 . 1 90 90 GLY C C 13 170.778 . . . . . . . . 90 G C . 52098 1 402 . 1 . 1 90 90 GLY CA C 13 45.187089216 . . . . . . . . 90 G CA . 52098 1 403 . 1 . 1 90 90 GLY N N 15 109.6489835805 . . . . . . . . 90 G N . 52098 1 404 . 1 . 1 91 91 PHE H H 1 7.820153374 . . . . . . . . 91 F H . 52098 1 405 . 1 . 1 91 91 PHE C C 13 173.218 . . . . . . . . 91 F C . 52098 1 406 . 1 . 1 91 91 PHE CA C 13 57.6428308431 . . . . . . . . 91 F CA . 52098 1 407 . 1 . 1 91 91 PHE CB C 13 39.3433484621 . . . . . . . . 91 F CB . 52098 1 408 . 1 . 1 91 91 PHE N N 15 119.4700795915 . . . . . . . . 91 F N . 52098 1 409 . 1 . 1 92 92 THR H H 1 7.8699069002 . . . . . . . . 92 T H . 52098 1 410 . 1 . 1 92 92 THR C C 13 170.829 . . . . . . . . 92 T C . 52098 1 411 . 1 . 1 92 92 THR CA C 13 61.686919766 . . . . . . . . 92 T CA . 52098 1 412 . 1 . 1 92 92 THR CB C 13 69.874913834 . . . . . . . . 92 T CB . 52098 1 413 . 1 . 1 92 92 THR N N 15 115.6267338982 . . . . . . . . 92 T N . 52098 1 414 . 1 . 1 93 93 PHE H H 1 8.1175740667 . . . . . . . . 93 F H . 52098 1 415 . 1 . 1 93 93 PHE C C 13 172.7501720078 . . . . . . . . 93 F C . 52098 1 416 . 1 . 1 93 93 PHE CA C 13 57.749851775 . . . . . . . . 93 F CA . 52098 1 417 . 1 . 1 93 93 PHE CB C 13 39.6720276786 . . . . . . . . 93 F CB . 52098 1 418 . 1 . 1 93 93 PHE N N 15 122.3483685505 . . . . . . . . 93 F N . 52098 1 419 . 1 . 1 94 94 ARG H H 1 7.859006853 . . . . . . . . 94 R H . 52098 1 420 . 1 . 1 94 94 ARG C C 13 176.7698162831 . . . . . . . . 94 R C . 52098 1 421 . 1 . 1 94 94 ARG CA C 13 58.6390965496 . . . . . . . . 94 R CA . 52098 1 422 . 1 . 1 94 94 ARG CB C 13 32.0999347568 . . . . . . . . 94 R CB . 52098 1 423 . 1 . 1 94 94 ARG N N 15 115.7058787684 . . . . . . . . 94 R N . 52098 1 424 . 1 . 1 95 95 ASN H H 1 8.0046475466 . . . . . . . . 95 N H . 52098 1 425 . 1 . 1 95 95 ASN CB C 13 39.2629186213 . . . . . . . . 95 N CB . 52098 1 426 . 1 . 1 95 95 ASN N N 15 120.140444471 . . . . . . . . 95 N N . 52098 1 427 . 1 . 1 96 96 PRO CA C 13 60.5903023109 . . . . . . . . 96 P CA . 52098 1 428 . 1 . 1 96 96 PRO CB C 13 30.7236699887 . . . . . . . . 96 P CB . 52098 1 429 . 1 . 1 97 97 ASP H H 1 8.2144632128 . . . . . . . . 97 D H . 52098 1 430 . 1 . 1 97 97 ASP C C 13 174.423 . . . . . . . . 97 D C . 52098 1 431 . 1 . 1 97 97 ASP CA C 13 56.7994205008 . . . . . . . . 97 D CA . 52098 1 432 . 1 . 1 97 97 ASP CB C 13 41.0318797525 . . . . . . . . 97 D CB . 52098 1 433 . 1 . 1 97 97 ASP N N 15 117.1246633511 . . . . . . . . 97 D N . 52098 1 434 . 1 . 1 98 98 ASP H H 1 7.7997524944 . . . . . . . . 98 D H . 52098 1 435 . 1 . 1 98 98 ASP C C 13 174.646 . . . . . . . . 98 D C . 52098 1 436 . 1 . 1 98 98 ASP CA C 13 56.7557609494 . . . . . . . . 98 D CA . 52098 1 437 . 1 . 1 98 98 ASP CB C 13 39.8120704587 . . . . . . . . 98 D CB . 52098 1 438 . 1 . 1 98 98 ASP N N 15 119.6078503765 . . . . . . . . 98 D N . 52098 1 439 . 1 . 1 99 99 VAL H H 1 7.612890549 . . . . . . . . 99 V H . 52098 1 440 . 1 . 1 99 99 VAL C C 13 174.4777954444 . . . . . . . . 99 V C . 52098 1 441 . 1 . 1 99 99 VAL CA C 13 64.203 . . . . . . . . 99 V CA . 52098 1 442 . 1 . 1 99 99 VAL CB C 13 32.27 . . . . . . . . 99 V CB . 52098 1 443 . 1 . 1 99 99 VAL N N 15 119.7604712948 . . . . . . . . 99 V N . 52098 1 444 . 1 . 1 100 100 VAL H H 1 7.9635517472 . . . . . . . . 100 V H . 52098 1 445 . 1 . 1 100 100 VAL C C 13 174.396 . . . . . . . . 100 V C . 52098 1 446 . 1 . 1 100 100 VAL CA C 13 66.2827806752 . . . . . . . . 100 V CA . 52098 1 447 . 1 . 1 100 100 VAL CB C 13 31.432179125 . . . . . . . . 100 V CB . 52098 1 448 . 1 . 1 100 100 VAL N N 15 122.6956143242 . . . . . . . . 100 V N . 52098 1 449 . 1 . 1 102 102 GLU H H 1 8.0177730288 . . . . . . . . 102 E H . 52098 1 450 . 1 . 1 102 102 GLU C C 13 174.2 . . . . . . . . 102 E C . 52098 1 451 . 1 . 1 102 102 GLU CA C 13 56.4151751548 . . . . . . . . 102 E CA . 52098 1 452 . 1 . 1 102 102 GLU CB C 13 29.5396656394 . . . . . . . . 102 E CB . 52098 1 453 . 1 . 1 102 102 GLU N N 15 120.2970330687 . . . . . . . . 102 E N . 52098 1 454 . 1 . 1 103 103 PHE H H 1 8.0503091408 . . . . . . . . 103 F H . 52098 1 455 . 1 . 1 103 103 PHE C C 13 173.076 . . . . . . . . 103 F C . 52098 1 456 . 1 . 1 103 103 PHE CA C 13 60.6179555878 . . . . . . . . 103 F CA . 52098 1 457 . 1 . 1 103 103 PHE CB C 13 39.9273771569 . . . . . . . . 103 F CB . 52098 1 458 . 1 . 1 103 103 PHE N N 15 119.8343855164 . . . . . . . . 103 F N . 52098 1 459 . 1 . 1 104 104 PHE H H 1 8.1504436923 . . . . . . . . 104 F H . 52098 1 460 . 1 . 1 104 104 PHE C C 13 173.3571412964 . . . . . . . . 104 F C . 52098 1 461 . 1 . 1 104 104 PHE CA C 13 60.275774058 . . . . . . . . 104 F CA . 52098 1 462 . 1 . 1 104 104 PHE CB C 13 39.5780333169 . . . . . . . . 104 F CB . 52098 1 463 . 1 . 1 104 104 PHE N N 15 119.7914715875 . . . . . . . . 104 F N . 52098 1 464 . 1 . 1 105 105 GLY H H 1 7.8913063305 . . . . . . . . 105 G H . 52098 1 465 . 1 . 1 105 105 GLY C C 13 171.6404492147 . . . . . . . . 105 G C . 52098 1 466 . 1 . 1 105 105 GLY CA C 13 45.4253627025 . . . . . . . . 105 G CA . 52098 1 467 . 1 . 1 105 105 GLY N N 15 109.3498989798 . . . . . . . . 105 G N . 52098 1 468 . 1 . 1 106 106 GLY H H 1 7.9607829185 . . . . . . . . 106 G H . 52098 1 469 . 1 . 1 106 106 GLY C C 13 171.1160550676 . . . . . . . . 106 G C . 52098 1 470 . 1 . 1 106 106 GLY CA C 13 45.362490179 . . . . . . . . 106 G CA . 52098 1 471 . 1 . 1 106 106 GLY N N 15 108.1258084381 . . . . . . . . 106 G N . 52098 1 472 . 1 . 1 107 107 ARG H H 1 8.0935836024 . . . . . . . . 107 R H . 52098 1 473 . 1 . 1 107 107 ARG C C 13 172.314670261 . . . . . . . . 107 R C . 52098 1 474 . 1 . 1 107 107 ARG CA C 13 55.8671078682 . . . . . . . . 107 R CA . 52098 1 475 . 1 . 1 107 107 ARG CB C 13 31.1427593678 . . . . . . . . 107 R CB . 52098 1 476 . 1 . 1 107 107 ARG N N 15 120.1152509741 . . . . . . . . 107 R N . 52098 1 477 . 1 . 1 108 108 ASP H H 1 7.9263328501 . . . . . . . . 108 D H . 52098 1 478 . 1 . 1 108 108 ASP C C 13 177.9519073423 . . . . . . . . 108 D C . 52098 1 479 . 1 . 1 108 108 ASP CA C 13 55.8671044184 . . . . . . . . 108 D CA . 52098 1 480 . 1 . 1 108 108 ASP CB C 13 42.050464198 . . . . . . . . 108 D CB . 52098 1 481 . 1 . 1 108 108 ASP N N 15 126.3488653331 . . . . . . . . 108 D N . 52098 1 stop_ save_