data_51997 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51997 _Entry.Title ; DNAJB6_JD-GF A50V ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-06-12 _Entry.Accession_date 2023-06-12 _Entry.Last_release_date 2023-06-13 _Entry.Original_release_date 2023-06-13 _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 'DNAJB6 JD-GF (residues 1-109)' _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 Abayev-Avraham . . . . 51997 2 Yehuda Salzberg . . . . 51997 3 Meital Oren-Suissa . . . . 51997 4 Rina Rosenzweig . . . . 51997 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51997 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 51997 '15N chemical shifts' 99 51997 '1H chemical shifts' 99 51997 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 2023-06-13 update BMRB 'update entry citation' 51997 1 . . 2023-10-30 2023-06-13 original author 'original release' 51997 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51996 'DNAJB6 J-domain' 51997 BMRB 52065 'DNAJB6 JD-GF F89I' 51997 BMRB 52091 'DNAJB6 JD-GF F91I' 51997 BMRB 52098 'DNAJB6 JD-GF F100V' 51997 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51997 _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. . . . 51997 1 2 Yehuda Salzberg Y. . . . 51997 1 3 Dar Gliksberg D. . . . 51997 1 4 Meital Oren-Suissa M. . . . 51997 1 5 Rina Rosenzweig R. . . . 51997 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51997 _Assembly.ID 1 _Assembly.Name 'DNAJB6_JD_GF A50V' _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 A50V' 1 $entity_1 . . yes native no no . . . 51997 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51997 _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 EAERKFKQVVEAYEVLSDAK KRDIYDKYGKEGLNGGGGGG SHFDSPFEFGFTFRNPDDVF REFFGGRD ; _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 108 _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 . 51997 1 2 . VAL . 51997 1 3 . ASP . 51997 1 4 . TYR . 51997 1 5 . TYR . 51997 1 6 . GLU . 51997 1 7 . VAL . 51997 1 8 . LEU . 51997 1 9 . GLY . 51997 1 10 . VAL . 51997 1 11 . GLN . 51997 1 12 . ARG . 51997 1 13 . HIS . 51997 1 14 . ALA . 51997 1 15 . SER . 51997 1 16 . PRO . 51997 1 17 . GLU . 51997 1 18 . ASP . 51997 1 19 . ILE . 51997 1 20 . LYS . 51997 1 21 . LYS . 51997 1 22 . ALA . 51997 1 23 . TYR . 51997 1 24 . ARG . 51997 1 25 . LYS . 51997 1 26 . LEU . 51997 1 27 . ALA . 51997 1 28 . LEU . 51997 1 29 . LYS . 51997 1 30 . TRP . 51997 1 31 . HIS . 51997 1 32 . PRO . 51997 1 33 . ASP . 51997 1 34 . LYS . 51997 1 35 . ASN . 51997 1 36 . PRO . 51997 1 37 . GLU . 51997 1 38 . ASN . 51997 1 39 . LYS . 51997 1 40 . GLU . 51997 1 41 . GLU . 51997 1 42 . ALA . 51997 1 43 . GLU . 51997 1 44 . ARG . 51997 1 45 . LYS . 51997 1 46 . PHE . 51997 1 47 . LYS . 51997 1 48 . GLN . 51997 1 49 . VAL . 51997 1 50 . VAL . 51997 1 51 . GLU . 51997 1 52 . ALA . 51997 1 53 . TYR . 51997 1 54 . GLU . 51997 1 55 . VAL . 51997 1 56 . LEU . 51997 1 57 . SER . 51997 1 58 . ASP . 51997 1 59 . ALA . 51997 1 60 . LYS . 51997 1 61 . LYS . 51997 1 62 . ARG . 51997 1 63 . ASP . 51997 1 64 . ILE . 51997 1 65 . TYR . 51997 1 66 . ASP . 51997 1 67 . LYS . 51997 1 68 . TYR . 51997 1 69 . GLY . 51997 1 70 . LYS . 51997 1 71 . GLU . 51997 1 72 . GLY . 51997 1 73 . LEU . 51997 1 74 . ASN . 51997 1 75 . GLY . 51997 1 76 . GLY . 51997 1 77 . GLY . 51997 1 78 . GLY . 51997 1 79 . GLY . 51997 1 80 . GLY . 51997 1 81 . SER . 51997 1 82 . HIS . 51997 1 83 . PHE . 51997 1 84 . ASP . 51997 1 85 . SER . 51997 1 86 . PRO . 51997 1 87 . PHE . 51997 1 88 . GLU . 51997 1 89 . PHE . 51997 1 90 . GLY . 51997 1 91 . PHE . 51997 1 92 . THR . 51997 1 93 . PHE . 51997 1 94 . ARG . 51997 1 95 . ASN . 51997 1 96 . PRO . 51997 1 97 . ASP . 51997 1 98 . ASP . 51997 1 99 . VAL . 51997 1 100 . PHE . 51997 1 101 . ARG . 51997 1 102 . GLU . 51997 1 103 . PHE . 51997 1 104 . PHE . 51997 1 105 . GLY . 51997 1 106 . GLY . 51997 1 107 . ARG . 51997 1 108 . ASP . 51997 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 51997 1 . VAL 2 2 51997 1 . ASP 3 3 51997 1 . TYR 4 4 51997 1 . TYR 5 5 51997 1 . GLU 6 6 51997 1 . VAL 7 7 51997 1 . LEU 8 8 51997 1 . GLY 9 9 51997 1 . VAL 10 10 51997 1 . GLN 11 11 51997 1 . ARG 12 12 51997 1 . HIS 13 13 51997 1 . ALA 14 14 51997 1 . SER 15 15 51997 1 . PRO 16 16 51997 1 . GLU 17 17 51997 1 . ASP 18 18 51997 1 . ILE 19 19 51997 1 . LYS 20 20 51997 1 . LYS 21 21 51997 1 . ALA 22 22 51997 1 . TYR 23 23 51997 1 . ARG 24 24 51997 1 . LYS 25 25 51997 1 . LEU 26 26 51997 1 . ALA 27 27 51997 1 . LEU 28 28 51997 1 . LYS 29 29 51997 1 . TRP 30 30 51997 1 . HIS 31 31 51997 1 . PRO 32 32 51997 1 . ASP 33 33 51997 1 . LYS 34 34 51997 1 . ASN 35 35 51997 1 . PRO 36 36 51997 1 . GLU 37 37 51997 1 . ASN 38 38 51997 1 . LYS 39 39 51997 1 . GLU 40 40 51997 1 . GLU 41 41 51997 1 . ALA 42 42 51997 1 . GLU 43 43 51997 1 . ARG 44 44 51997 1 . LYS 45 45 51997 1 . PHE 46 46 51997 1 . LYS 47 47 51997 1 . GLN 48 48 51997 1 . VAL 49 49 51997 1 . VAL 50 50 51997 1 . GLU 51 51 51997 1 . ALA 52 52 51997 1 . TYR 53 53 51997 1 . GLU 54 54 51997 1 . VAL 55 55 51997 1 . LEU 56 56 51997 1 . SER 57 57 51997 1 . ASP 58 58 51997 1 . ALA 59 59 51997 1 . LYS 60 60 51997 1 . LYS 61 61 51997 1 . ARG 62 62 51997 1 . ASP 63 63 51997 1 . ILE 64 64 51997 1 . TYR 65 65 51997 1 . ASP 66 66 51997 1 . LYS 67 67 51997 1 . TYR 68 68 51997 1 . GLY 69 69 51997 1 . LYS 70 70 51997 1 . GLU 71 71 51997 1 . GLY 72 72 51997 1 . LEU 73 73 51997 1 . ASN 74 74 51997 1 . GLY 75 75 51997 1 . GLY 76 76 51997 1 . GLY 77 77 51997 1 . GLY 78 78 51997 1 . GLY 79 79 51997 1 . GLY 80 80 51997 1 . SER 81 81 51997 1 . HIS 82 82 51997 1 . PHE 83 83 51997 1 . ASP 84 84 51997 1 . SER 85 85 51997 1 . PRO 86 86 51997 1 . PHE 87 87 51997 1 . GLU 88 88 51997 1 . PHE 89 89 51997 1 . GLY 90 90 51997 1 . PHE 91 91 51997 1 . THR 92 92 51997 1 . PHE 93 93 51997 1 . ARG 94 94 51997 1 . ASN 95 95 51997 1 . PRO 96 96 51997 1 . ASP 97 97 51997 1 . ASP 98 98 51997 1 . VAL 99 99 51997 1 . PHE 100 100 51997 1 . ARG 101 101 51997 1 . GLU 102 102 51997 1 . PHE 103 103 51997 1 . PHE 104 104 51997 1 . GLY 105 105 51997 1 . GLY 106 106 51997 1 . ARG 107 107 51997 1 . ASP 108 108 51997 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 51997 _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 . . . . . . . . . . . . . 51997 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 51997 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-sumo . . . 51997 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51997 _Sample.ID 1 _Sample.Name 'DNAJB6 A50V' _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 A50V' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.5 . . mM . . . . 51997 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 51997 _Sample_condition_list.ID 1 _Sample_condition_list.Name Set_1 _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 51997 1 pH 7.0 . pH 51997 1 pressure 1 . atm 51997 1 temperature 298 . K 51997 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51997 _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' . 51997 1 'peak picking' . 51997 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51997 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51997 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51997 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51997 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51997 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51997 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51997 _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 51997 _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 . . . . . . . . . . . . . . . . . 51997 1 2 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51997 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51997 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51997 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51997 1 6 '2D 1H-13C HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51997 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 51997 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DNAJB6 A50V' _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 . . . . . 51997 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51997 1 N 15 urea nitrogen . . . . ppm 77 external direct 1 . . . . . 51997 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 51997 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DNAJB6 A50V' _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 CBCACONH' . . . 51997 1 3 '3D HNCO' . . . 51997 1 4 '3D HNCACB' . . . 51997 1 5 '3D HN(CA)CO' . . . 51997 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 . . 51997 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 13 174.38 . . . . . . . . 2 V C . 51997 1 2 . 1 . 1 2 2 VAL CA C 13 61.99 . . . . . . . . 2 V CA . 51997 1 3 . 1 . 1 2 2 VAL CB C 13 32.76 . . . . . . . . 2 V CB . 51997 1 4 . 1 . 1 3 3 ASP H H 1 8.52740 . . . . . . . . 3 D H . 51997 1 5 . 1 . 1 3 3 ASP C C 13 176.79 . . . . . . . . 3 D C . 51997 1 6 . 1 . 1 3 3 ASP CA C 13 55.3601 . . . . . . . . 3 D CA . 51997 1 7 . 1 . 1 3 3 ASP CB C 13 42.25 . . . . . . . . 3 D CB . 51997 1 8 . 1 . 1 3 3 ASP N N 15 125.781 . . . . . . . . 3 D N . 51997 1 9 . 1 . 1 4 4 TYR H H 1 7.61675 . . . . . . . . 4 Y H . 51997 1 10 . 1 . 1 4 4 TYR C C 13 177.21 . . . . . . . . 4 Y C . 51997 1 11 . 1 . 1 4 4 TYR CA C 13 58.45 . . . . . . . . 4 Y CA . 51997 1 12 . 1 . 1 4 4 TYR CB C 13 37.98 . . . . . . . . 4 Y CB . 51997 1 13 . 1 . 1 4 4 TYR N N 15 122.55 . . . . . . . . 4 Y N . 51997 1 14 . 1 . 1 5 5 TYR H H 1 7.85114 . . . . . . . . 5 Y H . 51997 1 15 . 1 . 1 5 5 TYR C C 13 178.17 . . . . . . . . 5 Y C . 51997 1 16 . 1 . 1 5 5 TYR CA C 13 62.64 . . . . . . . . 5 Y CA . 51997 1 17 . 1 . 1 5 5 TYR CB C 13 35.76 . . . . . . . . 5 Y CB . 51997 1 18 . 1 . 1 5 5 TYR N N 15 116.47 . . . . . . . . 5 Y N . 51997 1 19 . 1 . 1 6 6 GLU H H 1 7.615 . . . . . . . . 6 E H . 51997 1 20 . 1 . 1 6 6 GLU C C 13 180.45 . . . . . . . . 6 E C . 51997 1 21 . 1 . 1 6 6 GLU CA C 13 59.08 . . . . . . . . 6 E CA . 51997 1 22 . 1 . 1 6 6 GLU CB C 13 29.3 . . . . . . . . 6 E CB . 51997 1 23 . 1 . 1 6 6 GLU N N 15 120.28 . . . . . . . . 6 E N . 51997 1 24 . 1 . 1 7 7 VAL H H 1 8.038 . . . . . . . . 7 V H . 51997 1 25 . 1 . 1 7 7 VAL C C 13 177.63 . . . . . . . . 7 V C . 51997 1 26 . 1 . 1 7 7 VAL CA C 13 66.51 . . . . . . . . 7 V CA . 51997 1 27 . 1 . 1 7 7 VAL CB C 13 31.44 . . . . . . . . 7 V CB . 51997 1 28 . 1 . 1 7 7 VAL N N 15 120.12 . . . . . . . . 7 V N . 51997 1 29 . 1 . 1 8 8 LEU H H 1 6.907 . . . . . . . . 8 L H . 51997 1 30 . 1 . 1 8 8 LEU C C 13 175.69 . . . . . . . . 8 L C . 51997 1 31 . 1 . 1 8 8 LEU CA C 13 57.2459 . . . . . . . . 8 L CA . 51997 1 32 . 1 . 1 8 8 LEU CB C 13 42.58 . . . . . . . . 8 L CB . 51997 1 33 . 1 . 1 8 8 LEU N N 15 113.803 . . . . . . . . 8 L N . 51997 1 34 . 1 . 1 9 9 GLY H H 1 7.89244 . . . . . . . . 9 G H . 51997 1 35 . 1 . 1 9 9 GLY C C 13 175.69 . . . . . . . . 9 G C . 51997 1 36 . 1 . 1 9 9 GLY CA C 13 46.72 . . . . . . . . 9 G CA . 51997 1 37 . 1 . 1 9 9 GLY N N 15 108.87 . . . . . . . . 9 G N . 51997 1 38 . 1 . 1 10 10 VAL H H 1 7.80666 . . . . . . . . 10 V H . 51997 1 39 . 1 . 1 10 10 VAL C C 13 174.76 . . . . . . . . 10 V C . 51997 1 40 . 1 . 1 10 10 VAL CA C 13 58.26 . . . . . . . . 10 V CA . 51997 1 41 . 1 . 1 10 10 VAL CB C 13 34.76 . . . . . . . . 10 V CB . 51997 1 42 . 1 . 1 10 10 VAL N N 15 110.392 . . . . . . . . 10 V N . 51997 1 43 . 1 . 1 11 11 GLN H H 1 8.213 . . . . . . . . 11 Q H . 51997 1 44 . 1 . 1 11 11 GLN C C 13 176.78 . . . . . . . . 11 Q C . 51997 1 45 . 1 . 1 11 11 GLN CA C 13 54.58 . . . . . . . . 11 Q CA . 51997 1 46 . 1 . 1 11 11 GLN CB C 13 29.73 . . . . . . . . 11 Q CB . 51997 1 47 . 1 . 1 11 11 GLN N N 15 118.028 . . . . . . . . 11 Q N . 51997 1 48 . 1 . 1 12 12 ARG H H 1 8.165 . . . . . . . . 12 R H . 51997 1 49 . 1 . 1 12 12 ARG C C 13 176.54 . . . . . . . . 12 R C . 51997 1 50 . 1 . 1 12 12 ARG CA C 13 58.27 . . . . . . . . 12 R CA . 51997 1 51 . 1 . 1 12 12 ARG CB C 13 29.64 . . . . . . . . 12 R CB . 51997 1 52 . 1 . 1 12 12 ARG N N 15 117.85 . . . . . . . . 12 R N . 51997 1 53 . 1 . 1 13 13 HIS H H 1 7.079 . . . . . . . . 13 H H . 51997 1 54 . 1 . 1 13 13 HIS C C 13 174.86 . . . . . . . . 13 H C . 51997 1 55 . 1 . 1 13 13 HIS CA C 13 54.59 . . . . . . . . 13 H CA . 51997 1 56 . 1 . 1 13 13 HIS CB C 13 28.88 . . . . . . . . 13 H CB . 51997 1 57 . 1 . 1 13 13 HIS N N 15 112.347 . . . . . . . . 13 H N . 51997 1 58 . 1 . 1 14 14 ALA H H 1 7.402 . . . . . . . . 14 A H . 51997 1 59 . 1 . 1 14 14 ALA C C 13 177.62 . . . . . . . . 14 A C . 51997 1 60 . 1 . 1 14 14 ALA CA C 13 52.69 . . . . . . . . 14 A CA . 51997 1 61 . 1 . 1 14 14 ALA CB C 13 19.46 . . . . . . . . 14 A CB . 51997 1 62 . 1 . 1 14 14 ALA N N 15 123.107 . . . . . . . . 14 A N . 51997 1 63 . 1 . 1 15 15 SER H H 1 9.24286 . . . . . . . . 15 S H . 51997 1 64 . 1 . 1 15 15 SER C C 13 173.42 . . . . . . . . 15 S C . 51997 1 65 . 1 . 1 15 15 SER CA C 13 56.45 . . . . . . . . 15 S CA . 51997 1 66 . 1 . 1 15 15 SER CB C 13 63.24 . . . . . . . . 15 S CB . 51997 1 67 . 1 . 1 15 15 SER N N 15 119.852 . . . . . . . . 15 S N . 51997 1 68 . 1 . 1 16 16 PRO C C 13 179.76 . . . . . . . . 16 P C . 51997 1 69 . 1 . 1 16 16 PRO CA C 13 65.95 . . . . . . . . 16 P CA . 51997 1 70 . 1 . 1 16 16 PRO CB C 13 32.02 . . . . . . . . 16 P CB . 51997 1 71 . 1 . 1 17 17 GLU H H 1 8.358 . . . . . . . . 17 E H . 51997 1 72 . 1 . 1 17 17 GLU C C 13 178.59 . . . . . . . . 17 E C . 51997 1 73 . 1 . 1 17 17 GLU CA C 13 59.93 . . . . . . . . 17 E CA . 51997 1 74 . 1 . 1 17 17 GLU CB C 13 29.22 . . . . . . . . 17 E CB . 51997 1 75 . 1 . 1 17 17 GLU N N 15 117.75 . . . . . . . . 17 E N . 51997 1 76 . 1 . 1 18 18 ASP H H 1 8.02566 . . . . . . . . 18 D H . 51997 1 77 . 1 . 1 18 18 ASP C C 13 180.06 . . . . . . . . 18 D C . 51997 1 78 . 1 . 1 18 18 ASP CA C 13 57.67 . . . . . . . . 18 D CA . 51997 1 79 . 1 . 1 18 18 ASP CB C 13 40.69 . . . . . . . . 18 D CB . 51997 1 80 . 1 . 1 18 18 ASP N N 15 122.132 . . . . . . . . 18 D N . 51997 1 81 . 1 . 1 19 19 ILE H H 1 7.95596 . . . . . . . . 19 I H . 51997 1 82 . 1 . 1 19 19 ILE C C 13 176.78 . . . . . . . . 19 I C . 51997 1 83 . 1 . 1 19 19 ILE CA C 13 65.8 . . . . . . . . 19 I CA . 51997 1 84 . 1 . 1 19 19 ILE CB C 13 37.95 . . . . . . . . 19 I CB . 51997 1 85 . 1 . 1 19 19 ILE N N 15 122.055 . . . . . . . . 19 I N . 51997 1 86 . 1 . 1 20 20 LYS H H 1 7.97391 . . . . . . . . 20 K H . 51997 1 87 . 1 . 1 20 20 LYS C C 13 178.48 . . . . . . . . 20 K C . 51997 1 88 . 1 . 1 20 20 LYS CA C 13 60.85 . . . . . . . . 20 K CA . 51997 1 89 . 1 . 1 20 20 LYS CB C 13 32.63 . . . . . . . . 20 K CB . 51997 1 90 . 1 . 1 20 20 LYS N N 15 120.347 . . . . . . . . 20 K N . 51997 1 91 . 1 . 1 21 21 LYS H H 1 8.20706 . . . . . . . . 21 K H . 51997 1 92 . 1 . 1 21 21 LYS C C 13 179.19 . . . . . . . . 21 K C . 51997 1 93 . 1 . 1 21 21 LYS CA C 13 60.15 . . . . . . . . 21 K CA . 51997 1 94 . 1 . 1 21 21 LYS CB C 13 32.81 . . . . . . . . 21 K CB . 51997 1 95 . 1 . 1 21 21 LYS N N 15 118.39 . . . . . . . . 21 K N . 51997 1 96 . 1 . 1 22 22 ALA H H 1 7.78668 . . . . . . . . 22 A H . 51997 1 97 . 1 . 1 22 22 ALA C C 13 179.71 . . . . . . . . 22 A C . 51997 1 98 . 1 . 1 22 22 ALA CA C 13 55.25 . . . . . . . . 22 A CA . 51997 1 99 . 1 . 1 22 22 ALA CB C 13 19.14 . . . . . . . . 22 A CB . 51997 1 100 . 1 . 1 22 22 ALA N N 15 122.51 . . . . . . . . 22 A N . 51997 1 101 . 1 . 1 23 23 TYR H H 1 8.23421 . . . . . . . . 23 Y H . 51997 1 102 . 1 . 1 23 23 TYR C C 13 175.81 . . . . . . . . 23 Y C . 51997 1 103 . 1 . 1 23 23 TYR CA C 13 61.01 . . . . . . . . 23 Y CA . 51997 1 104 . 1 . 1 23 23 TYR CB C 13 38.98 . . . . . . . . 23 Y CB . 51997 1 105 . 1 . 1 23 23 TYR N N 15 117.692 . . . . . . . . 23 Y N . 51997 1 106 . 1 . 1 24 24 ARG H H 1 8.04590 . . . . . . . . 24 R H . 51997 1 107 . 1 . 1 24 24 ARG C C 13 178.4 . . . . . . . . 24 R C . 51997 1 108 . 1 . 1 24 24 ARG CA C 13 59.54 . . . . . . . . 24 R CA . 51997 1 109 . 1 . 1 24 24 ARG CB C 13 29.84 . . . . . . . . 24 R CB . 51997 1 110 . 1 . 1 24 24 ARG N N 15 117.472 . . . . . . . . 24 R N . 51997 1 111 . 1 . 1 25 25 LYS H H 1 7.39266 . . . . . . . . 25 K H . 51997 1 112 . 1 . 1 25 25 LYS C C 13 179.7 . . . . . . . . 25 K C . 51997 1 113 . 1 . 1 25 25 LYS CA C 13 59.39 . . . . . . . . 25 K CA . 51997 1 114 . 1 . 1 25 25 LYS CB C 13 32.72 . . . . . . . . 25 K CB . 51997 1 115 . 1 . 1 25 25 LYS N N 15 116.720 . . . . . . . . 25 K N . 51997 1 116 . 1 . 1 26 26 LEU H H 1 8.02418 . . . . . . . . 26 L H . 51997 1 117 . 1 . 1 26 26 LEU C C 13 178.36 . . . . . . . . 26 L C . 51997 1 118 . 1 . 1 26 26 LEU CA C 13 57.63 . . . . . . . . 26 L CA . 51997 1 119 . 1 . 1 26 26 LEU CB C 13 43.39 . . . . . . . . 26 L CB . 51997 1 120 . 1 . 1 26 26 LEU N N 15 120.828 . . . . . . . . 26 L N . 51997 1 121 . 1 . 1 27 27 ALA H H 1 9.00390 . . . . . . . . 27 A H . 51997 1 122 . 1 . 1 27 27 ALA C C 13 179.31 . . . . . . . . 27 A C . 51997 1 123 . 1 . 1 27 27 ALA CA C 13 55.04 . . . . . . . . 27 A CA . 51997 1 124 . 1 . 1 27 27 ALA CB C 13 17.33 . . . . . . . . 27 A CB . 51997 1 125 . 1 . 1 27 27 ALA N N 15 123.149 . . . . . . . . 27 A N . 51997 1 126 . 1 . 1 28 28 LEU H H 1 7.01025 . . . . . . . . 28 L H . 51997 1 127 . 1 . 1 28 28 LEU C C 13 178.68 . . . . . . . . 28 L C . 51997 1 128 . 1 . 1 28 28 LEU CA C 13 57.18 . . . . . . . . 28 L CA . 51997 1 129 . 1 . 1 28 28 LEU CB C 13 42.01 . . . . . . . . 28 L CB . 51997 1 130 . 1 . 1 28 28 LEU N N 15 115.144 . . . . . . . . 28 L N . 51997 1 131 . 1 . 1 29 29 LYS H H 1 7.263 . . . . . . . . 29 K H . 51997 1 132 . 1 . 1 29 29 LYS C C 13 178.45 . . . . . . . . 29 K C . 51997 1 133 . 1 . 1 29 29 LYS CA C 13 58.79 . . . . . . . . 29 K CA . 51997 1 134 . 1 . 1 29 29 LYS CB C 13 33.26 . . . . . . . . 29 K CB . 51997 1 135 . 1 . 1 29 29 LYS N N 15 117.916 . . . . . . . . 29 K N . 51997 1 136 . 1 . 1 30 30 TRP H H 1 7.98372 . . . . . . . . 30 W H . 51997 1 137 . 1 . 1 30 30 TRP HE1 H 1 10.2819 . . . . . . . . 30 W HE1 . 51997 1 138 . 1 . 1 30 30 TRP C C 13 173.41 . . . . . . . . 30 W C . 51997 1 139 . 1 . 1 30 30 TRP CA C 13 56.37 . . . . . . . . 30 W CA . 51997 1 140 . 1 . 1 30 30 TRP CB C 13 30.03 . . . . . . . . 30 W CB . 51997 1 141 . 1 . 1 30 30 TRP N N 15 114.335 . . . . . . . . 30 W N . 51997 1 142 . 1 . 1 30 30 TRP NE1 N 15 126.817 . . . . . . . . 30 W NE1 . 51997 1 143 . 1 . 1 31 31 HIS H H 1 7.123 . . . . . . . . 31 H H . 51997 1 144 . 1 . 1 31 31 HIS C C 13 177.34 . . . . . . . . 31 H C . 51997 1 145 . 1 . 1 31 31 HIS CA C 13 57.16 . . . . . . . . 31 H CA . 51997 1 146 . 1 . 1 31 31 HIS CB C 13 30.63 . . . . . . . . 31 H CB . 51997 1 147 . 1 . 1 31 31 HIS N N 15 120.651 . . . . . . . . 31 H N . 51997 1 148 . 1 . 1 32 32 PRO CA C 13 66.29 . . . . . . . . 32 P CA . 51997 1 149 . 1 . 1 32 32 PRO CB C 13 32 . . . . . . . . 32 P CB . 51997 1 150 . 1 . 1 33 33 ASP H H 1 10.4752 . . . . . . . . 33 D H . 51997 1 151 . 1 . 1 33 33 ASP C C 13 178.09 . . . . . . . . 33 D C . 51997 1 152 . 1 . 1 33 33 ASP CA C 13 56.76 . . . . . . . . 33 D CA . 51997 1 153 . 1 . 1 33 33 ASP CB C 13 40 . . . . . . . . 33 D CB . 51997 1 154 . 1 . 1 33 33 ASP N N 15 120.165 . . . . . . . . 33 D N . 51997 1 155 . 1 . 1 34 34 LYS H H 1 7.79235 . . . . . . . . 34 K H . 51997 1 156 . 1 . 1 34 34 LYS C C 13 175.73 . . . . . . . . 34 K C . 51997 1 157 . 1 . 1 34 34 LYS CA C 13 54.38 . . . . . . . . 34 K CA . 51997 1 158 . 1 . 1 34 34 LYS CB C 13 32.24 . . . . . . . . 34 K CB . 51997 1 159 . 1 . 1 34 34 LYS N N 15 116.41 . . . . . . . . 34 K N . 51997 1 160 . 1 . 1 35 35 ASN H H 1 7.47765 . . . . . . . . 35 N H . 51997 1 161 . 1 . 1 35 35 ASN C C 13 172.1 . . . . . . . . 35 N C . 51997 1 162 . 1 . 1 35 35 ASN CA C 13 52.43 . . . . . . . . 35 N CA . 51997 1 163 . 1 . 1 35 35 ASN CB C 13 42.18 . . . . . . . . 35 N CB . 51997 1 164 . 1 . 1 35 35 ASN N N 15 118.851 . . . . . . . . 35 N N . 51997 1 165 . 1 . 1 36 36 PRO C C 13 178.33 . . . . . . . . 36 P C . 51997 1 166 . 1 . 1 36 36 PRO CA C 13 65.25 . . . . . . . . 36 P CA . 51997 1 167 . 1 . 1 36 36 PRO CB C 13 31.6 . . . . . . . . 36 P CB . 51997 1 168 . 1 . 1 37 37 GLU H H 1 8.68936 . . . . . . . . 37 E H . 51997 1 169 . 1 . 1 37 37 GLU C C 13 176.17 . . . . . . . . 37 E C . 51997 1 170 . 1 . 1 37 37 GLU CA C 13 56.82 . . . . . . . . 37 E CA . 51997 1 171 . 1 . 1 37 37 GLU CB C 13 29.36 . . . . . . . . 37 E CB . 51997 1 172 . 1 . 1 37 37 GLU N N 15 117.319 . . . . . . . . 37 E N . 51997 1 173 . 1 . 1 38 38 ASN H H 1 7.86666 . . . . . . . . 38 N H . 51997 1 174 . 1 . 1 38 38 ASN C C 13 175.22 . . . . . . . . 38 N C . 51997 1 175 . 1 . 1 38 38 ASN CA C 13 52.22 . . . . . . . . 38 N CA . 51997 1 176 . 1 . 1 38 38 ASN CB C 13 38.7 . . . . . . . . 38 N CB . 51997 1 177 . 1 . 1 38 38 ASN N N 15 119.982 . . . . . . . . 38 N N . 51997 1 178 . 1 . 1 39 39 LYS H H 1 8.06548 . . . . . . . . 39 K H . 51997 1 179 . 1 . 1 39 39 LYS C C 13 178.36 . . . . . . . . 39 K C . 51997 1 180 . 1 . 1 39 39 LYS CA C 13 61.16 . . . . . . . . 39 K CA . 51997 1 181 . 1 . 1 39 39 LYS CB C 13 33.25 . . . . . . . . 39 K CB . 51997 1 182 . 1 . 1 39 39 LYS N N 15 121.849 . . . . . . . . 39 K N . 51997 1 183 . 1 . 1 40 40 GLU H H 1 8.50836 . . . . . . . . 40 E H . 51997 1 184 . 1 . 1 40 40 GLU C C 13 179.47 . . . . . . . . 40 E C . 51997 1 185 . 1 . 1 40 40 GLU CA C 13 60.23 . . . . . . . . 40 E CA . 51997 1 186 . 1 . 1 40 40 GLU CB C 13 28.75 . . . . . . . . 40 E CB . 51997 1 187 . 1 . 1 40 40 GLU N N 15 119 . . . . . . . . 40 E N . 51997 1 188 . 1 . 1 41 41 GLU H H 1 8.12117 . . . . . . . . 41 E H . 51997 1 189 . 1 . 1 41 41 GLU C C 13 178.25 . . . . . . . . 41 E C . 51997 1 190 . 1 . 1 41 41 GLU CA C 13 58.81 . . . . . . . . 41 E CA . 51997 1 191 . 1 . 1 41 41 GLU CB C 13 29.63 . . . . . . . . 41 E CB . 51997 1 192 . 1 . 1 41 41 GLU N N 15 120.519 . . . . . . . . 41 E N . 51997 1 193 . 1 . 1 42 42 ALA H H 1 8.03835 . . . . . . . . 42 A H . 51997 1 194 . 1 . 1 42 42 ALA C C 13 178.49 . . . . . . . . 42 A C . 51997 1 195 . 1 . 1 42 42 ALA CA C 13 55.83 . . . . . . . . 42 A CA . 51997 1 196 . 1 . 1 42 42 ALA CB C 13 17.98 . . . . . . . . 42 A CB . 51997 1 197 . 1 . 1 42 42 ALA N N 15 120.649 . . . . . . . . 42 A N . 51997 1 198 . 1 . 1 43 43 GLU H H 1 8.54088 . . . . . . . . 43 E H . 51997 1 199 . 1 . 1 43 43 GLU C C 13 178.77 . . . . . . . . 43 E C . 51997 1 200 . 1 . 1 43 43 GLU CA C 13 60.21 . . . . . . . . 43 E CA . 51997 1 201 . 1 . 1 43 43 GLU CB C 13 29.54 . . . . . . . . 43 E CB . 51997 1 202 . 1 . 1 43 43 GLU N N 15 116.75 . . . . . . . . 43 E N . 51997 1 203 . 1 . 1 44 44 ARG H H 1 7.38219 . . . . . . . . 44 R H . 51997 1 204 . 1 . 1 44 44 ARG C C 13 179.47 . . . . . . . . 44 R C . 51997 1 205 . 1 . 1 44 44 ARG CA C 13 67.4613 . . . . . . . . 44 R CA . 51997 1 206 . 1 . 1 44 44 ARG CB C 13 32.9703 . . . . . . . . 44 R CB . 51997 1 207 . 1 . 1 44 44 ARG N N 15 118.329 . . . . . . . . 44 R N . 51997 1 208 . 1 . 1 45 45 LYS H H 1 8.036 . . . . . . . . 45 K H . 51997 1 209 . 1 . 1 45 45 LYS C C 13 178.96 . . . . . . . . 45 K C . 51997 1 210 . 1 . 1 45 45 LYS CA C 13 58.36 . . . . . . . . 45 K CA . 51997 1 211 . 1 . 1 45 45 LYS CB C 13 31.13 . . . . . . . . 45 K CB . 51997 1 212 . 1 . 1 45 45 LYS N N 15 120.125 . . . . . . . . 45 K N . 51997 1 213 . 1 . 1 46 46 PHE H H 1 9.31905 . . . . . . . . 46 F H . 51997 1 214 . 1 . 1 46 46 PHE C C 13 176.91 . . . . . . . . 46 F C . 51997 1 215 . 1 . 1 46 46 PHE CA C 13 61.98 . . . . . . . . 46 F CA . 51997 1 216 . 1 . 1 46 46 PHE CB C 13 39.38 . . . . . . . . 46 F CB . 51997 1 217 . 1 . 1 46 46 PHE N N 15 120.989 . . . . . . . . 46 F N . 51997 1 218 . 1 . 1 47 47 LYS H H 1 7.99890 . . . . . . . . 47 K H . 51997 1 219 . 1 . 1 47 47 LYS C C 13 179.12 . . . . . . . . 47 K C . 51997 1 220 . 1 . 1 47 47 LYS CA C 13 60 . . . . . . . . 47 K CA . 51997 1 221 . 1 . 1 47 47 LYS CB C 13 32.38 . . . . . . . . 47 K CB . 51997 1 222 . 1 . 1 47 47 LYS N N 15 116.783 . . . . . . . . 47 K N . 51997 1 223 . 1 . 1 48 48 GLN H H 1 7.30908 . . . . . . . . 48 Q H . 51997 1 224 . 1 . 1 48 48 GLN C C 13 178.17 . . . . . . . . 48 Q C . 51997 1 225 . 1 . 1 48 48 GLN CA C 13 58.97 . . . . . . . . 48 Q CA . 51997 1 226 . 1 . 1 48 48 GLN CB C 13 28.9 . . . . . . . . 48 Q CB . 51997 1 227 . 1 . 1 48 48 GLN N N 15 117.853 . . . . . . . . 48 Q N . 51997 1 228 . 1 . 1 49 49 VAL H H 1 7.85568 . . . . . . . . 49 V H . 51997 1 229 . 1 . 1 49 49 VAL C C 13 177.06 . . . . . . . . 49 V C . 51997 1 230 . 1 . 1 49 49 VAL CA C 13 66.53 . . . . . . . . 49 V CA . 51997 1 231 . 1 . 1 49 49 VAL CB C 13 31.73 . . . . . . . . 49 V CB . 51997 1 232 . 1 . 1 49 49 VAL N N 15 121.207 . . . . . . . . 49 V N . 51997 1 233 . 1 . 1 50 50 VAL H H 1 7.996 . . . . . . . . 50 V H . 51997 1 234 . 1 . 1 50 50 VAL C C 13 177.53 . . . . . . . . 50 V C . 51997 1 235 . 1 . 1 50 50 VAL CA C 13 67.2 . . . . . . . . 50 V CA . 51997 1 236 . 1 . 1 50 50 VAL CB C 13 31.64 . . . . . . . . 50 V CB . 51997 1 237 . 1 . 1 50 50 VAL N N 15 119.7 . . . . . . . . 50 V N . 51997 1 238 . 1 . 1 51 51 GLU H H 1 7.71528 . . . . . . . . 51 E H . 51997 1 239 . 1 . 1 51 51 GLU C C 13 177.48 . . . . . . . . 51 E C . 51997 1 240 . 1 . 1 51 51 GLU CA C 13 59.34 . . . . . . . . 51 E CA . 51997 1 241 . 1 . 1 51 51 GLU CB C 13 29.66 . . . . . . . . 51 E CB . 51997 1 242 . 1 . 1 51 51 GLU N N 15 119.939 . . . . . . . . 51 E N . 51997 1 243 . 1 . 1 52 52 ALA H H 1 7.61129 . . . . . . . . 52 A H . 51997 1 244 . 1 . 1 52 52 ALA C C 13 178.73 . . . . . . . . 52 A C . 51997 1 245 . 1 . 1 52 52 ALA CA C 13 54.17 . . . . . . . . 52 A CA . 51997 1 246 . 1 . 1 52 52 ALA CB C 13 18.97 . . . . . . . . 52 A CB . 51997 1 247 . 1 . 1 52 52 ALA N N 15 118.05 . . . . . . . . 52 A N . 51997 1 248 . 1 . 1 53 53 TYR H H 1 8.181 . . . . . . . . 53 Y H . 51997 1 249 . 1 . 1 53 53 TYR C C 13 177.81 . . . . . . . . 53 Y C . 51997 1 250 . 1 . 1 53 53 TYR CA C 13 61.47 . . . . . . . . 53 Y CA . 51997 1 251 . 1 . 1 53 53 TYR CB C 13 39.53 . . . . . . . . 53 Y CB . 51997 1 252 . 1 . 1 53 53 TYR N N 15 117.09 . . . . . . . . 53 Y N . 51997 1 253 . 1 . 1 54 54 GLU H H 1 8.54 . . . . . . . . 54 E H . 51997 1 254 . 1 . 1 54 54 GLU C C 13 177.56 . . . . . . . . 54 E C . 51997 1 255 . 1 . 1 54 54 GLU CA C 13 59.92 . . . . . . . . 54 E CA . 51997 1 256 . 1 . 1 54 54 GLU CB C 13 29.17 . . . . . . . . 54 E CB . 51997 1 257 . 1 . 1 54 54 GLU N N 15 121.779 . . . . . . . . 54 E N . 51997 1 258 . 1 . 1 55 55 VAL H H 1 6.662 . . . . . . . . 55 V H . 51997 1 259 . 1 . 1 55 55 VAL C C 13 175.71 . . . . . . . . 55 V C . 51997 1 260 . 1 . 1 55 55 VAL CA C 13 65.81 . . . . . . . . 55 V CA . 51997 1 261 . 1 . 1 55 55 VAL CB C 13 31.82 . . . . . . . . 55 V CB . 51997 1 262 . 1 . 1 55 55 VAL N N 15 115.31 . . . . . . . . 55 V N . 51997 1 263 . 1 . 1 56 56 LEU H H 1 7.63027 . . . . . . . . 56 L H . 51997 1 264 . 1 . 1 56 56 LEU C C 13 177.28 . . . . . . . . 56 L C . 51997 1 265 . 1 . 1 56 56 LEU CA C 13 56.62 . . . . . . . . 56 L CA . 51997 1 266 . 1 . 1 56 56 LEU CB C 13 41.66 . . . . . . . . 56 L CB . 51997 1 267 . 1 . 1 56 56 LEU N N 15 111.030 . . . . . . . . 56 L N . 51997 1 268 . 1 . 1 57 57 SER H H 1 7.77956 . . . . . . . . 57 S H . 51997 1 269 . 1 . 1 57 57 SER C C 13 173.4 . . . . . . . . 57 S C . 51997 1 270 . 1 . 1 57 57 SER CA C 13 59.09 . . . . . . . . 57 S CA . 51997 1 271 . 1 . 1 57 57 SER CB C 13 63.48 . . . . . . . . 57 S CB . 51997 1 272 . 1 . 1 57 57 SER N N 15 109.21 . . . . . . . . 57 S N . 51997 1 273 . 1 . 1 58 58 ASP H H 1 6.86223 . . . . . . . . 58 D H . 51997 1 274 . 1 . 1 58 58 ASP C C 13 174.68 . . . . . . . . 58 D C . 51997 1 275 . 1 . 1 58 58 ASP CA C 13 54.9471 . . . . . . . . 58 D CA . 51997 1 276 . 1 . 1 58 58 ASP CB C 13 45.9272 . . . . . . . . 58 D CB . 51997 1 277 . 1 . 1 58 58 ASP N N 15 125.093 . . . . . . . . 58 D N . 51997 1 278 . 1 . 1 59 59 ALA H H 1 8.73 . . . . . . . . 59 A H . 51997 1 279 . 1 . 1 59 59 ALA C C 13 180.02 . . . . . . . . 59 A C . 51997 1 280 . 1 . 1 59 59 ALA CA C 13 58.4820 . . . . . . . . 59 A CA . 51997 1 281 . 1 . 1 59 59 ALA CB C 13 21.2717 . . . . . . . . 59 A CB . 51997 1 282 . 1 . 1 59 59 ALA N N 15 127.742 . . . . . . . . 59 A N . 51997 1 283 . 1 . 1 60 60 LYS H H 1 7.85293 . . . . . . . . 60 K H . 51997 1 284 . 1 . 1 60 60 LYS C C 13 179.6 . . . . . . . . 60 K C . 51997 1 285 . 1 . 1 60 60 LYS CA C 13 59.05 . . . . . . . . 60 K CA . 51997 1 286 . 1 . 1 60 60 LYS CB C 13 32.08 . . . . . . . . 60 K CB . 51997 1 287 . 1 . 1 60 60 LYS N N 15 116.127 . . . . . . . . 60 K N . 51997 1 288 . 1 . 1 61 61 LYS H H 1 8.006 . . . . . . . . 61 K H . 51997 1 289 . 1 . 1 61 61 LYS C C 13 178.41 . . . . . . . . 61 K C . 51997 1 290 . 1 . 1 61 61 LYS CA C 13 60.1 . . . . . . . . 61 K CA . 51997 1 291 . 1 . 1 61 61 LYS CB C 13 33.05 . . . . . . . . 61 K CB . 51997 1 292 . 1 . 1 61 61 LYS N N 15 120.28 . . . . . . . . 61 K N . 51997 1 293 . 1 . 1 62 62 ARG H H 1 9.215 . . . . . . . . 62 R H . 51997 1 294 . 1 . 1 62 62 ARG C C 13 177.34 . . . . . . . . 62 R C . 51997 1 295 . 1 . 1 62 62 ARG CA C 13 60.41 . . . . . . . . 62 R CA . 51997 1 296 . 1 . 1 62 62 ARG CB C 13 29.84 . . . . . . . . 62 R CB . 51997 1 297 . 1 . 1 62 62 ARG N N 15 121.498 . . . . . . . . 62 R N . 51997 1 298 . 1 . 1 63 63 ASP H H 1 7.451 . . . . . . . . 63 D H . 51997 1 299 . 1 . 1 63 63 ASP C C 13 178.56 . . . . . . . . 63 D C . 51997 1 300 . 1 . 1 63 63 ASP CA C 13 57.78 . . . . . . . . 63 D CA . 51997 1 301 . 1 . 1 63 63 ASP CB C 13 41.62 . . . . . . . . 63 D CB . 51997 1 302 . 1 . 1 63 63 ASP N N 15 117.08 . . . . . . . . 63 D N . 51997 1 303 . 1 . 1 64 64 ILE H H 1 7.38238 . . . . . . . . 64 I H . 51997 1 304 . 1 . 1 64 64 ILE C C 13 177.98 . . . . . . . . 64 I C . 51997 1 305 . 1 . 1 64 64 ILE CA C 13 64.81 . . . . . . . . 64 I CA . 51997 1 306 . 1 . 1 64 64 ILE CB C 13 37.96 . . . . . . . . 64 I CB . 51997 1 307 . 1 . 1 64 64 ILE N N 15 118.5 . . . . . . . . 64 I N . 51997 1 308 . 1 . 1 65 65 TYR H H 1 8.91402 . . . . . . . . 65 Y H . 51997 1 309 . 1 . 1 65 65 TYR C C 13 178.7 . . . . . . . . 65 Y C . 51997 1 310 . 1 . 1 65 65 TYR CA C 13 61.7 . . . . . . . . 65 Y CA . 51997 1 311 . 1 . 1 65 65 TYR CB C 13 39.02 . . . . . . . . 65 Y CB . 51997 1 312 . 1 . 1 65 65 TYR N N 15 122.313 . . . . . . . . 65 Y N . 51997 1 313 . 1 . 1 66 66 ASP H H 1 9.26594 . . . . . . . . 66 D H . 51997 1 314 . 1 . 1 66 66 ASP C C 13 178.23 . . . . . . . . 66 D C . 51997 1 315 . 1 . 1 66 66 ASP CA C 13 57.05 . . . . . . . . 66 D CA . 51997 1 316 . 1 . 1 66 66 ASP CB C 13 40.12 . . . . . . . . 66 D CB . 51997 1 317 . 1 . 1 66 66 ASP N N 15 120.939 . . . . . . . . 66 D N . 51997 1 318 . 1 . 1 67 67 LYS H H 1 7.425 . . . . . . . . 67 K H . 51997 1 319 . 1 . 1 67 67 LYS C C 13 177.97 . . . . . . . . 67 K C . 51997 1 320 . 1 . 1 67 67 LYS CA C 13 58.43 . . . . . . . . 67 K CA . 51997 1 321 . 1 . 1 67 67 LYS CB C 13 33.84 . . . . . . . . 67 K CB . 51997 1 322 . 1 . 1 67 67 LYS N N 15 118.048 . . . . . . . . 67 K N . 51997 1 323 . 1 . 1 68 68 TYR H H 1 8.46001 . . . . . . . . 68 Y H . 51997 1 324 . 1 . 1 68 68 TYR C C 13 176.93 . . . . . . . . 68 Y C . 51997 1 325 . 1 . 1 68 68 TYR CA C 13 58.18 . . . . . . . . 68 Y CA . 51997 1 326 . 1 . 1 68 68 TYR CB C 13 40.22 . . . . . . . . 68 Y CB . 51997 1 327 . 1 . 1 68 68 TYR N N 15 116.322 . . . . . . . . 68 Y N . 51997 1 328 . 1 . 1 69 69 GLY H H 1 8.17838 . . . . . . . . 69 G H . 51997 1 329 . 1 . 1 69 69 GLY C C 13 174.21 . . . . . . . . 69 G C . 51997 1 330 . 1 . 1 69 69 GLY CA C 13 45.33 . . . . . . . . 69 G CA . 51997 1 331 . 1 . 1 69 69 GLY N N 15 109.84 . . . . . . . . 69 G N . 51997 1 332 . 1 . 1 70 70 LYS H H 1 8.416 . . . . . . . . 70 K H . 51997 1 333 . 1 . 1 70 70 LYS C C 13 178.31 . . . . . . . . 70 K C . 51997 1 334 . 1 . 1 70 70 LYS CA C 13 58.69 . . . . . . . . 70 K CA . 51997 1 335 . 1 . 1 70 70 LYS CB C 13 32.74 . . . . . . . . 70 K CB . 51997 1 336 . 1 . 1 70 70 LYS N N 15 120.377 . . . . . . . . 70 K N . 51997 1 337 . 1 . 1 71 71 GLU H H 1 8.75 . . . . . . . . 71 E H . 51997 1 338 . 1 . 1 71 71 GLU C C 13 178.15 . . . . . . . . 71 E C . 51997 1 339 . 1 . 1 71 71 GLU CA C 13 58.23 . . . . . . . . 71 E CA . 51997 1 340 . 1 . 1 71 71 GLU CB C 13 29.31 . . . . . . . . 71 E CB . 51997 1 341 . 1 . 1 71 71 GLU N N 15 118.814 . . . . . . . . 71 E N . 51997 1 342 . 1 . 1 72 72 GLY H H 1 7.734 . . . . . . . . 72 G H . 51997 1 343 . 1 . 1 72 72 GLY C C 13 174.37 . . . . . . . . 72 G C . 51997 1 344 . 1 . 1 72 72 GLY CA C 13 45.81 . . . . . . . . 72 G CA . 51997 1 345 . 1 . 1 72 72 GLY N N 15 106.09 . . . . . . . . 72 G N . 51997 1 346 . 1 . 1 73 73 LEU H H 1 7.66 . . . . . . . . 73 L H . 51997 1 347 . 1 . 1 73 73 LEU C C 13 177.24 . . . . . . . . 73 L C . 51997 1 348 . 1 . 1 73 73 LEU CA C 13 55.44 . . . . . . . . 73 L CA . 51997 1 349 . 1 . 1 73 73 LEU CB C 13 42.41 . . . . . . . . 73 L CB . 51997 1 350 . 1 . 1 73 73 LEU N N 15 120.148 . . . . . . . . 73 L N . 51997 1 351 . 1 . 1 74 74 ASN H H 1 8 . . . . . . . . 74 N H . 51997 1 352 . 1 . 1 74 74 ASN C C 13 175.84 . . . . . . . . 74 N C . 51997 1 353 . 1 . 1 74 74 ASN CA C 13 53.46 . . . . . . . . 74 N CA . 51997 1 354 . 1 . 1 74 74 ASN CB C 13 38.8 . . . . . . . . 74 N CB . 51997 1 355 . 1 . 1 74 74 ASN N N 15 117.735 . . . . . . . . 74 N N . 51997 1 356 . 1 . 1 75 75 GLY H H 1 8.16582 . . . . . . . . 75 G H . 51997 1 357 . 1 . 1 75 75 GLY C C 13 174.88 . . . . . . . . 75 G C . 51997 1 358 . 1 . 1 75 75 GLY CA C 13 45.42 . . . . . . . . 75 G CA . 51997 1 359 . 1 . 1 75 75 GLY N N 15 108.865 . . . . . . . . 75 G N . 51997 1 360 . 1 . 1 76 76 GLY H H 1 8.20538 . . . . . . . . 76 G H . 51997 1 361 . 1 . 1 76 76 GLY C C 13 174.84 . . . . . . . . 76 G C . 51997 1 362 . 1 . 1 76 76 GLY CA C 13 45.42 . . . . . . . . 76 G CA . 51997 1 363 . 1 . 1 76 76 GLY N N 15 108.499 . . . . . . . . 76 G N . 51997 1 364 . 1 . 1 77 77 GLY H H 1 8.22155 . . . . . . . . 77 G H . 51997 1 365 . 1 . 1 77 77 GLY C C 13 174.84 . . . . . . . . 77 G C . 51997 1 366 . 1 . 1 77 77 GLY CA C 13 45.3 . . . . . . . . 77 G CA . 51997 1 367 . 1 . 1 77 77 GLY N N 15 108.609 . . . . . . . . 77 G N . 51997 1 368 . 1 . 1 78 78 GLY H H 1 8.23772 . . . . . . . . 78 G H . 51997 1 369 . 1 . 1 78 78 GLY C C 13 174.84 . . . . . . . . 78 G C . 51997 1 370 . 1 . 1 78 78 GLY CA C 13 45.5 . . . . . . . . 78 G CA . 51997 1 371 . 1 . 1 78 78 GLY N N 15 108.730 . . . . . . . . 78 G N . 51997 1 372 . 1 . 1 79 79 GLY H H 1 8.30861 . . . . . . . . 79 G H . 51997 1 373 . 1 . 1 79 79 GLY CA C 13 45.4653 . . . . . . . . 79 G CA . 51997 1 374 . 1 . 1 79 79 GLY N N 15 108.700 . . . . . . . . 79 G N . 51997 1 375 . 1 . 1 80 80 GLY H H 1 7.94499 . . . . . . . . 80 G H . 51997 1 376 . 1 . 1 80 80 GLY C C 13 174.6 . . . . . . . . 80 G C . 51997 1 377 . 1 . 1 80 80 GLY CA C 13 45.11 . . . . . . . . 80 G CA . 51997 1 378 . 1 . 1 80 80 GLY N N 15 108.220 . . . . . . . . 80 G N . 51997 1 379 . 1 . 1 81 81 SER H H 1 8.12 . . . . . . . . 81 S H . 51997 1 380 . 1 . 1 81 81 SER CA C 13 55.53 . . . . . . . . 81 S CA . 51997 1 381 . 1 . 1 81 81 SER CB C 13 61.13 . . . . . . . . 81 S CB . 51997 1 382 . 1 . 1 81 81 SER N N 15 115.43 . . . . . . . . 81 S N . 51997 1 383 . 1 . 1 82 82 HIS CA C 13 57.4759 . . . . . . . . 82 H CA . 51997 1 384 . 1 . 1 82 82 HIS CB C 13 31.6546 . . . . . . . . 82 H CB . 51997 1 385 . 1 . 1 83 83 PHE H H 1 8.018 . . . . . . . . 83 F H . 51997 1 386 . 1 . 1 83 83 PHE C C 13 176.16 . . . . . . . . 83 F C . 51997 1 387 . 1 . 1 83 83 PHE CA C 13 59.62 . . . . . . . . 83 F CA . 51997 1 388 . 1 . 1 83 83 PHE CB C 13 39.16 . . . . . . . . 83 F CB . 51997 1 389 . 1 . 1 83 83 PHE N N 15 119.14 . . . . . . . . 83 F N . 51997 1 390 . 1 . 1 84 84 ASP H H 1 8.23 . . . . . . . . 84 D H . 51997 1 391 . 1 . 1 84 84 ASP C C 13 175.55 . . . . . . . . 84 D C . 51997 1 392 . 1 . 1 84 84 ASP CA C 13 54.35 . . . . . . . . 84 D CA . 51997 1 393 . 1 . 1 84 84 ASP CB C 13 41.35 . . . . . . . . 84 D CB . 51997 1 394 . 1 . 1 84 84 ASP N N 15 121.41 . . . . . . . . 84 D N . 51997 1 395 . 1 . 1 85 85 SER H H 1 7.96871 . . . . . . . . 85 S H . 51997 1 396 . 1 . 1 85 85 SER C C 13 173.14 . . . . . . . . 85 S C . 51997 1 397 . 1 . 1 85 85 SER CA C 13 56.07 . . . . . . . . 85 S CA . 51997 1 398 . 1 . 1 85 85 SER CB C 13 63.83 . . . . . . . . 85 S CB . 51997 1 399 . 1 . 1 85 85 SER N N 15 116.174 . . . . . . . . 85 S N . 51997 1 400 . 1 . 1 86 86 PRO C C 13 176.48 . . . . . . . . 86 P C . 51997 1 401 . 1 . 1 86 86 PRO CA C 13 63.47 . . . . . . . . 86 P CA . 51997 1 402 . 1 . 1 86 86 PRO CB C 13 31.86 . . . . . . . . 86 P CB . 51997 1 403 . 1 . 1 87 87 PHE H H 1 7.84027 . . . . . . . . 87 F H . 51997 1 404 . 1 . 1 87 87 PHE C C 13 176.56 . . . . . . . . 87 F C . 51997 1 405 . 1 . 1 87 87 PHE CA C 13 57.63 . . . . . . . . 87 F CA . 51997 1 406 . 1 . 1 87 87 PHE CB C 13 39.43 . . . . . . . . 87 F CB . 51997 1 407 . 1 . 1 87 87 PHE N N 15 118.97 . . . . . . . . 87 F N . 51997 1 408 . 1 . 1 88 88 GLU H H 1 7.914 . . . . . . . . 88 E H . 51997 1 409 . 1 . 1 88 88 GLU C C 13 175.84 . . . . . . . . 88 E C . 51997 1 410 . 1 . 1 88 88 GLU CA C 13 56.42 . . . . . . . . 88 E CA . 51997 1 411 . 1 . 1 88 88 GLU CB C 13 30.37 . . . . . . . . 88 E CB . 51997 1 412 . 1 . 1 88 88 GLU N N 15 121.73 . . . . . . . . 88 E N . 51997 1 413 . 1 . 1 89 89 PHE H H 1 7.983 . . . . . . . . 89 F H . 51997 1 414 . 1 . 1 89 89 PHE C C 13 176.13 . . . . . . . . 89 F C . 51997 1 415 . 1 . 1 89 89 PHE CA C 13 57.97 . . . . . . . . 89 F CA . 51997 1 416 . 1 . 1 89 89 PHE CB C 13 39.41 . . . . . . . . 89 F CB . 51997 1 417 . 1 . 1 89 89 PHE N N 15 120.13 . . . . . . . . 89 F N . 51997 1 418 . 1 . 1 90 90 GLY H H 1 8.124 . . . . . . . . 90 G H . 51997 1 419 . 1 . 1 90 90 GLY C C 13 173.79 . . . . . . . . 90 G C . 51997 1 420 . 1 . 1 90 90 GLY CA C 13 45.32 . . . . . . . . 90 G CA . 51997 1 421 . 1 . 1 90 90 GLY N N 15 109.402 . . . . . . . . 90 G N . 51997 1 422 . 1 . 1 91 91 PHE H H 1 7.83979 . . . . . . . . 91 F H . 51997 1 423 . 1 . 1 91 91 PHE C C 13 175.57 . . . . . . . . 91 F C . 51997 1 424 . 1 . 1 91 91 PHE CA C 13 57.77 . . . . . . . . 91 F CA . 51997 1 425 . 1 . 1 91 91 PHE CB C 13 39.63 . . . . . . . . 91 F CB . 51997 1 426 . 1 . 1 91 91 PHE N N 15 119.541 . . . . . . . . 91 F N . 51997 1 427 . 1 . 1 92 92 THR H H 1 7.87 . . . . . . . . 92 T H . 51997 1 428 . 1 . 1 92 92 THR C C 13 173.62 . . . . . . . . 92 T C . 51997 1 429 . 1 . 1 92 92 THR CA C 13 61.8 . . . . . . . . 92 T CA . 51997 1 430 . 1 . 1 92 92 THR CB C 13 69.87 . . . . . . . . 92 T CB . 51997 1 431 . 1 . 1 92 92 THR N N 15 115.462 . . . . . . . . 92 T N . 51997 1 432 . 1 . 1 93 93 PHE H H 1 8.086 . . . . . . . . 93 F H . 51997 1 433 . 1 . 1 93 93 PHE C C 13 175.37 . . . . . . . . 93 F C . 51997 1 434 . 1 . 1 93 93 PHE CA C 13 57.77 . . . . . . . . 93 F CA . 51997 1 435 . 1 . 1 93 93 PHE CB C 13 39.52 . . . . . . . . 93 F CB . 51997 1 436 . 1 . 1 93 93 PHE N N 15 122.283 . . . . . . . . 93 F N . 51997 1 437 . 1 . 1 96 96 PRO C C 13 177.17 . . . . . . . . 96 P C . 51997 1 438 . 1 . 1 96 96 PRO CA C 13 65 . . . . . . . . 96 P CA . 51997 1 439 . 1 . 1 96 96 PRO CB C 13 32.106 . . . . . . . . 96 P CB . 51997 1 440 . 1 . 1 97 97 ASP H H 1 8.187 . . . . . . . . 97 D H . 51997 1 441 . 1 . 1 97 97 ASP C C 13 177.29 . . . . . . . . 97 D C . 51997 1 442 . 1 . 1 97 97 ASP CA C 13 56.02 . . . . . . . . 97 D CA . 51997 1 443 . 1 . 1 97 97 ASP CB C 13 40.67 . . . . . . . . 97 D CB . 51997 1 444 . 1 . 1 97 97 ASP N N 15 117.298 . . . . . . . . 97 D N . 51997 1 445 . 1 . 1 98 98 ASP H H 1 7.795 . . . . . . . . 98 D H . 51997 1 446 . 1 . 1 98 98 ASP C C 13 177.4 . . . . . . . . 98 D C . 51997 1 447 . 1 . 1 98 98 ASP CA C 13 55.81 . . . . . . . . 98 D CA . 51997 1 448 . 1 . 1 98 98 ASP CB C 13 40.85 . . . . . . . . 98 D CB . 51997 1 449 . 1 . 1 98 98 ASP N N 15 120 . . . . . . . . 98 D N . 51997 1 450 . 1 . 1 99 99 VAL H H 1 7.54711 . . . . . . . . 99 V H . 51997 1 451 . 1 . 1 99 99 VAL C C 13 176.92 . . . . . . . . 99 V C . 51997 1 452 . 1 . 1 99 99 VAL CA C 13 64.45 . . . . . . . . 99 V CA . 51997 1 453 . 1 . 1 99 99 VAL CB C 13 32.1 . . . . . . . . 99 V CB . 51997 1 454 . 1 . 1 99 99 VAL N N 15 119.301 . . . . . . . . 99 V N . 51997 1 455 . 1 . 1 100 100 PHE H H 1 8.09076 . . . . . . . . 100 F H . 51997 1 456 . 1 . 1 100 100 PHE C C 13 176.55 . . . . . . . . 100 F C . 51997 1 457 . 1 . 1 100 100 PHE CA C 13 59.46 . . . . . . . . 100 F CA . 51997 1 458 . 1 . 1 100 100 PHE CB C 13 39.21 . . . . . . . . 100 F CB . 51997 1 459 . 1 . 1 100 100 PHE N N 15 120.53 . . . . . . . . 100 F N . 51997 1 460 . 1 . 1 101 101 ARG H H 1 7.876 . . . . . . . . 101 R H . 51997 1 461 . 1 . 1 101 101 ARG C C 13 177.21 . . . . . . . . 101 R C . 51997 1 462 . 1 . 1 101 101 ARG CA C 13 57.67 . . . . . . . . 101 R CA . 51997 1 463 . 1 . 1 101 101 ARG CB C 13 30.53 . . . . . . . . 101 R CB . 51997 1 464 . 1 . 1 101 101 ARG N N 15 120.36 . . . . . . . . 101 R N . 51997 1 465 . 1 . 1 102 102 GLU H H 1 8.04201 . . . . . . . . 102 E H . 51997 1 466 . 1 . 1 102 102 GLU C C 13 176.87 . . . . . . . . 102 E C . 51997 1 467 . 1 . 1 102 102 GLU CA C 13 57.47 . . . . . . . . 102 E CA . 51997 1 468 . 1 . 1 102 102 GLU CB C 13 30.15 . . . . . . . . 102 E CB . 51997 1 469 . 1 . 1 102 102 GLU N N 15 119.894 . . . . . . . . 102 E N . 51997 1 470 . 1 . 1 103 103 PHE H H 1 7.995 . . . . . . . . 103 F H . 51997 1 471 . 1 . 1 103 103 PHE C C 13 176.8 . . . . . . . . 103 F C . 51997 1 472 . 1 . 1 103 103 PHE CA C 13 58.1018 . . . . . . . . 103 F CA . 51997 1 473 . 1 . 1 103 103 PHE CB C 13 39.79 . . . . . . . . 103 F CB . 51997 1 474 . 1 . 1 103 103 PHE N N 15 120.28 . . . . . . . . 103 F N . 51997 1 475 . 1 . 1 104 104 PHE H H 1 8.154 . . . . . . . . 104 F H . 51997 1 476 . 1 . 1 104 104 PHE C C 13 176.06 . . . . . . . . 104 F C . 51997 1 477 . 1 . 1 104 104 PHE CA C 13 58.17 . . . . . . . . 104 F CA . 51997 1 478 . 1 . 1 104 104 PHE CB C 13 39.54 . . . . . . . . 104 F CB . 51997 1 479 . 1 . 1 104 104 PHE N N 15 119.65 . . . . . . . . 104 F N . 51997 1 480 . 1 . 1 105 105 GLY H H 1 7.873 . . . . . . . . 105 G H . 51997 1 481 . 1 . 1 105 105 GLY C C 13 174.46 . . . . . . . . 105 G C . 51997 1 482 . 1 . 1 105 105 GLY CA C 13 45.48 . . . . . . . . 105 G CA . 51997 1 483 . 1 . 1 105 105 GLY N N 15 109.45 . . . . . . . . 105 G N . 51997 1 484 . 1 . 1 106 106 GLY H H 1 10.69 . . . . . . . . 106 G H . 51997 1 485 . 1 . 1 106 106 GLY C C 13 173.88 . . . . . . . . 106 G C . 51997 1 486 . 1 . 1 106 106 GLY CA C 13 45.28 . . . . . . . . 106 G CA . 51997 1 487 . 1 . 1 106 106 GLY N N 15 108.32 . . . . . . . . 106 G N . 51997 1 488 . 1 . 1 107 107 ARG H H 1 8.095 . . . . . . . . 107 R H . 51997 1 489 . 1 . 1 107 107 ARG C C 13 175.07 . . . . . . . . 107 R C . 51997 1 490 . 1 . 1 107 107 ARG CA C 13 55.9 . . . . . . . . 107 R CA . 51997 1 491 . 1 . 1 107 107 ARG CB C 13 31.15 . . . . . . . . 107 R CB . 51997 1 492 . 1 . 1 107 107 ARG N N 15 120.31 . . . . . . . . 107 R N . 51997 1 493 . 1 . 1 108 108 ASP H H 1 7.91865 . . . . . . . . 108 D H . 51997 1 494 . 1 . 1 108 108 ASP C C 13 175.12 . . . . . . . . 108 D C . 51997 1 495 . 1 . 1 108 108 ASP CA C 13 55.98 . . . . . . . . 108 D CA . 51997 1 496 . 1 . 1 108 108 ASP CB C 13 42.19 . . . . . . . . 108 D CB . 51997 1 497 . 1 . 1 108 108 ASP N N 15 126.52 . . . . . . . . 108 D N . 51997 1 stop_ save_