data_50392 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50392 _Entry.Title ; 1H, 13C, and 15N backbone chemical shift assignments of coronavirus-2 non-structural protein Nsp10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-16 _Entry.Accession_date 2020-07-16 _Entry.Last_release_date 2020-07-16 _Entry.Original_release_date 2020-07-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nina Kubatova . . . . 50392 2 Harald Schwalbe . . . . 50392 3 Christian Richter . . . . 50392 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50392 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 50392 '15N chemical shifts' 126 50392 '1H chemical shifts' 126 50392 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 3 . . 2021-04-12 2020-07-16 update BMRB 'update entry citation' 50392 2 . . 2020-12-23 2020-07-16 update BMRB 'update entry citation' 50392 1 . . 2020-09-09 2020-07-16 original author 'original release' 50392 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50392 _Citation.ID 1 _Citation.Name 'citations 1' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33159807 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone chemical shift assignments of coronavirus-2 non-structural protein Nsp10 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 65 _Citation.Page_last 71 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Kubatova N. . . . 50392 1 2 N. Qureshi N. S. . . 50392 1 3 N. Altincekic N. . . . 50392 1 4 R. Abele R. . . . 50392 1 5 J. Bains J. K. . . 50392 1 6 B. Ceylan B. . . . 50392 1 7 J. Ferner J. . . . 50392 1 8 C. Fuks C. . . . 50392 1 9 B. Hargittay B. . . . 50392 1 10 M. Hutchison M. T. . . 50392 1 11 V. 'de Jesus' V. . . . 50392 1 12 F. Kutz F. . . . 50392 1 13 M. 'Wirtz Martin' M. A. . . 50392 1 14 N. Meiser N. . . . 50392 1 15 V. Linhard V. . . . 50392 1 16 D. Pyper D. J. . . 50392 1 17 S. Trucks S. . . . 50392 1 18 B. Furtig B. . . . 50392 1 19 M. Hengesbach M. . . . 50392 1 20 F. Lohr F. . . . 50392 1 21 C. Richter C. . . . 50392 1 22 K. Saxena K. . . . 50392 1 23 A. Schlundt A. . . . 50392 1 24 H. Schwalbe H. . . . 50392 1 25 S. Sreeramulu S. . . . 50392 1 26 A. Wacker A. . . . 50392 1 27 J. Weigand J. E. . . 50392 1 28 J. Wirmer-Bartoschek J. . . . 50392 1 29 J. Wohnert J. . . . 50392 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50392 _Assembly.ID 1 _Assembly.Name Nsp10 _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 16244.52 _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 Nsp10 1 $entity_1 . . yes native no no . . . 50392 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50392 _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 ; MGSDKIHHHHHHAGNATEVP ANSTVLSFCAFAVDAAKAYK DYLASGGQPITNCVKMLCTH TGTGQAITVTPEANMDQESF GGASCCLYCRCHIDHPNPKG FCDLKGKYVQIPTTCANDPV GFTLKNTVCTVCGMWKGYGC SCDQLREPMLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'MGSDKIHHHHHH = His-tag for purification' _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 151 _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 . 50392 1 2 . GLY . 50392 1 3 . SER . 50392 1 4 . ASP . 50392 1 5 . LYS . 50392 1 6 . ILE . 50392 1 7 . HIS . 50392 1 8 . HIS . 50392 1 9 . HIS . 50392 1 10 . HIS . 50392 1 11 . HIS . 50392 1 12 . HIS . 50392 1 13 . ALA . 50392 1 14 . GLY . 50392 1 15 . ASN . 50392 1 16 . ALA . 50392 1 17 . THR . 50392 1 18 . GLU . 50392 1 19 . VAL . 50392 1 20 . PRO . 50392 1 21 . ALA . 50392 1 22 . ASN . 50392 1 23 . SER . 50392 1 24 . THR . 50392 1 25 . VAL . 50392 1 26 . LEU . 50392 1 27 . SER . 50392 1 28 . PHE . 50392 1 29 . CYS . 50392 1 30 . ALA . 50392 1 31 . PHE . 50392 1 32 . ALA . 50392 1 33 . VAL . 50392 1 34 . ASP . 50392 1 35 . ALA . 50392 1 36 . ALA . 50392 1 37 . LYS . 50392 1 38 . ALA . 50392 1 39 . TYR . 50392 1 40 . LYS . 50392 1 41 . ASP . 50392 1 42 . TYR . 50392 1 43 . LEU . 50392 1 44 . ALA . 50392 1 45 . SER . 50392 1 46 . GLY . 50392 1 47 . GLY . 50392 1 48 . GLN . 50392 1 49 . PRO . 50392 1 50 . ILE . 50392 1 51 . THR . 50392 1 52 . ASN . 50392 1 53 . CYS . 50392 1 54 . VAL . 50392 1 55 . LYS . 50392 1 56 . MET . 50392 1 57 . LEU . 50392 1 58 . CYS . 50392 1 59 . THR . 50392 1 60 . HIS . 50392 1 61 . THR . 50392 1 62 . GLY . 50392 1 63 . THR . 50392 1 64 . GLY . 50392 1 65 . GLN . 50392 1 66 . ALA . 50392 1 67 . ILE . 50392 1 68 . THR . 50392 1 69 . VAL . 50392 1 70 . THR . 50392 1 71 . PRO . 50392 1 72 . GLU . 50392 1 73 . ALA . 50392 1 74 . ASN . 50392 1 75 . MET . 50392 1 76 . ASP . 50392 1 77 . GLN . 50392 1 78 . GLU . 50392 1 79 . SER . 50392 1 80 . PHE . 50392 1 81 . GLY . 50392 1 82 . GLY . 50392 1 83 . ALA . 50392 1 84 . SER . 50392 1 85 . CYS . 50392 1 86 . CYS . 50392 1 87 . LEU . 50392 1 88 . TYR . 50392 1 89 . CYS . 50392 1 90 . ARG . 50392 1 91 . CYS . 50392 1 92 . HIS . 50392 1 93 . ILE . 50392 1 94 . ASP . 50392 1 95 . HIS . 50392 1 96 . PRO . 50392 1 97 . ASN . 50392 1 98 . PRO . 50392 1 99 . LYS . 50392 1 100 . GLY . 50392 1 101 . PHE . 50392 1 102 . CYS . 50392 1 103 . ASP . 50392 1 104 . LEU . 50392 1 105 . LYS . 50392 1 106 . GLY . 50392 1 107 . LYS . 50392 1 108 . TYR . 50392 1 109 . VAL . 50392 1 110 . GLN . 50392 1 111 . ILE . 50392 1 112 . PRO . 50392 1 113 . THR . 50392 1 114 . THR . 50392 1 115 . CYS . 50392 1 116 . ALA . 50392 1 117 . ASN . 50392 1 118 . ASP . 50392 1 119 . PRO . 50392 1 120 . VAL . 50392 1 121 . GLY . 50392 1 122 . PHE . 50392 1 123 . THR . 50392 1 124 . LEU . 50392 1 125 . LYS . 50392 1 126 . ASN . 50392 1 127 . THR . 50392 1 128 . VAL . 50392 1 129 . CYS . 50392 1 130 . THR . 50392 1 131 . VAL . 50392 1 132 . CYS . 50392 1 133 . GLY . 50392 1 134 . MET . 50392 1 135 . TRP . 50392 1 136 . LYS . 50392 1 137 . GLY . 50392 1 138 . TYR . 50392 1 139 . GLY . 50392 1 140 . CYS . 50392 1 141 . SER . 50392 1 142 . CYS . 50392 1 143 . ASP . 50392 1 144 . GLN . 50392 1 145 . LEU . 50392 1 146 . ARG . 50392 1 147 . GLU . 50392 1 148 . PRO . 50392 1 149 . MET . 50392 1 150 . LEU . 50392 1 151 . GLN . 50392 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 50392 1 . GLY 2 2 50392 1 . SER 3 3 50392 1 . ASP 4 4 50392 1 . LYS 5 5 50392 1 . ILE 6 6 50392 1 . HIS 7 7 50392 1 . HIS 8 8 50392 1 . HIS 9 9 50392 1 . HIS 10 10 50392 1 . HIS 11 11 50392 1 . HIS 12 12 50392 1 . ALA 13 13 50392 1 . GLY 14 14 50392 1 . ASN 15 15 50392 1 . ALA 16 16 50392 1 . THR 17 17 50392 1 . GLU 18 18 50392 1 . VAL 19 19 50392 1 . PRO 20 20 50392 1 . ALA 21 21 50392 1 . ASN 22 22 50392 1 . SER 23 23 50392 1 . THR 24 24 50392 1 . VAL 25 25 50392 1 . LEU 26 26 50392 1 . SER 27 27 50392 1 . PHE 28 28 50392 1 . CYS 29 29 50392 1 . ALA 30 30 50392 1 . PHE 31 31 50392 1 . ALA 32 32 50392 1 . VAL 33 33 50392 1 . ASP 34 34 50392 1 . ALA 35 35 50392 1 . ALA 36 36 50392 1 . LYS 37 37 50392 1 . ALA 38 38 50392 1 . TYR 39 39 50392 1 . LYS 40 40 50392 1 . ASP 41 41 50392 1 . TYR 42 42 50392 1 . LEU 43 43 50392 1 . ALA 44 44 50392 1 . SER 45 45 50392 1 . GLY 46 46 50392 1 . GLY 47 47 50392 1 . GLN 48 48 50392 1 . PRO 49 49 50392 1 . ILE 50 50 50392 1 . THR 51 51 50392 1 . ASN 52 52 50392 1 . CYS 53 53 50392 1 . VAL 54 54 50392 1 . LYS 55 55 50392 1 . MET 56 56 50392 1 . LEU 57 57 50392 1 . CYS 58 58 50392 1 . THR 59 59 50392 1 . HIS 60 60 50392 1 . THR 61 61 50392 1 . GLY 62 62 50392 1 . THR 63 63 50392 1 . GLY 64 64 50392 1 . GLN 65 65 50392 1 . ALA 66 66 50392 1 . ILE 67 67 50392 1 . THR 68 68 50392 1 . VAL 69 69 50392 1 . THR 70 70 50392 1 . PRO 71 71 50392 1 . GLU 72 72 50392 1 . ALA 73 73 50392 1 . ASN 74 74 50392 1 . MET 75 75 50392 1 . ASP 76 76 50392 1 . GLN 77 77 50392 1 . GLU 78 78 50392 1 . SER 79 79 50392 1 . PHE 80 80 50392 1 . GLY 81 81 50392 1 . GLY 82 82 50392 1 . ALA 83 83 50392 1 . SER 84 84 50392 1 . CYS 85 85 50392 1 . CYS 86 86 50392 1 . LEU 87 87 50392 1 . TYR 88 88 50392 1 . CYS 89 89 50392 1 . ARG 90 90 50392 1 . CYS 91 91 50392 1 . HIS 92 92 50392 1 . ILE 93 93 50392 1 . ASP 94 94 50392 1 . HIS 95 95 50392 1 . PRO 96 96 50392 1 . ASN 97 97 50392 1 . PRO 98 98 50392 1 . LYS 99 99 50392 1 . GLY 100 100 50392 1 . PHE 101 101 50392 1 . CYS 102 102 50392 1 . ASP 103 103 50392 1 . LEU 104 104 50392 1 . LYS 105 105 50392 1 . GLY 106 106 50392 1 . LYS 107 107 50392 1 . TYR 108 108 50392 1 . VAL 109 109 50392 1 . GLN 110 110 50392 1 . ILE 111 111 50392 1 . PRO 112 112 50392 1 . THR 113 113 50392 1 . THR 114 114 50392 1 . CYS 115 115 50392 1 . ALA 116 116 50392 1 . ASN 117 117 50392 1 . ASP 118 118 50392 1 . PRO 119 119 50392 1 . VAL 120 120 50392 1 . GLY 121 121 50392 1 . PHE 122 122 50392 1 . THR 123 123 50392 1 . LEU 124 124 50392 1 . LYS 125 125 50392 1 . ASN 126 126 50392 1 . THR 127 127 50392 1 . VAL 128 128 50392 1 . CYS 129 129 50392 1 . THR 130 130 50392 1 . VAL 131 131 50392 1 . CYS 132 132 50392 1 . GLY 133 133 50392 1 . MET 134 134 50392 1 . TRP 135 135 50392 1 . LYS 136 136 50392 1 . GLY 137 137 50392 1 . TYR 138 138 50392 1 . GLY 139 139 50392 1 . CYS 140 140 50392 1 . SER 141 141 50392 1 . CYS 142 142 50392 1 . ASP 143 143 50392 1 . GLN 144 144 50392 1 . LEU 145 145 50392 1 . ARG 146 146 50392 1 . GLU 147 147 50392 1 . PRO 148 148 50392 1 . MET 149 149 50392 1 . LEU 150 150 50392 1 . GLN 151 151 50392 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 50392 _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 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50392 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 50392 _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 . . pET21b(+) . . . 50392 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50392 _Sample.ID 1 _Sample.Name Nsp10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '5% 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 Nsp10 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50392 1 2 NaPi 'natural abundance' . . . . . . 25 . . mM . . . . 50392 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50392 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50392 _Sample.ID 2 _Sample.Name Nsp10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '5% 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 Nsp10 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 50392 2 2 'NaPi (pH 7.5)' 'natural abundance' . . . . . . 25 . . mM . . . . 50392 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50392 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 50392 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50392 _Sample.ID 3 _Sample.Name Nsp10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '5% 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 Nsp10 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50392 3 2 'Tris/Hcl (pH 7.5)' 'natural abundance' . . . . . . 20 . . mM . . . . 50392 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50392 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50392 _Sample.ID 4 _Sample.Name Nsp10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '5% 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 Nsp10 '[U-13C; U-15N]' . . 1 $entity_1 . . 570 . . uM . . . . 50392 4 2 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 50392 4 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50392 4 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 50392 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Nsp10 298K' _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' 175 . mM 50392 1 pH 7.5 . pH 50392 1 pressure 1 . atm 50392 1 temperature 298 . K 50392 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50392 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Nsp10 298K' _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' 177 . mM 50392 2 pH 7.5 . pH 50392 2 pressure 1 . atm 50392 2 temperature 298 . K 50392 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 50392 _Sample_condition_list.ID 3 _Sample_condition_list.Name 'Nsp10 298K' _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' 170 . mM 50392 3 pH 7.5 . pH 50392 3 pressure 1 . atm 50392 3 temperature 298 . K 50392 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 50392 _Sample_condition_list.ID 4 _Sample_condition_list.Name 'Nsp10 298K' _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' 200 . mM 50392 4 pH 7.5 . pH 50392 4 pressure 1 . atm 50392 4 temperature 298 . K 50392 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50392 _Software.ID 1 _Software.Type . _Software.Name LOGS _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50392 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50392 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50392 2 'peak picking' . 50392 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50392 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50392 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50392 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance neo 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance neo 900 MHz' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50392 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance neo 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance neo 600 MHz' _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 50392 _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 best-TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50392 1 2 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50392 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50392 1 4 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50392 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50392 1 6 (H)C(CCO)NH-TOCSY no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50392 1 7 '2D best-TROSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50392 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 50392 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference DSS' _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 protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50392 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50392 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50392 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 50392 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _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 best-TROSY' . . . 50392 1 2 '3D HNCO' . . . 50392 1 3 '3D HN(CA)CO' . . . 50392 1 4 '3D HN(CO)CACB' . . . 50392 1 5 '3D HNCACB' . . . 50392 1 6 (H)C(CCO)NH-TOCSY . . . 50392 1 7 '2D best-TROSY' . . . 50392 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 2 $software_2 . . 50392 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 3 3 SER C C 13 174.488 . . . . . . . . 3 S C . 50392 1 2 . 1 . 1 3 3 SER CA C 13 58.667 . . . . . . . . 3 S CA . 50392 1 3 . 1 . 1 3 3 SER CB C 13 63.822 . . . . . . . . 3 S CB . 50392 1 4 . 1 . 1 4 4 ASP H H 1 8.435 . . . . . . . . 4 D H . 50392 1 5 . 1 . 1 4 4 ASP C C 13 176.180 . . . . . . . . 4 D C . 50392 1 6 . 1 . 1 4 4 ASP CA C 13 54.505 . . . . . . . . 4 D CA . 50392 1 7 . 1 . 1 4 4 ASP CB C 13 41.067 . . . . . . . . 4 D CB . 50392 1 8 . 1 . 1 4 4 ASP N N 15 122.075 . . . . . . . . 4 D N . 50392 1 9 . 1 . 1 5 5 LYS H H 1 8.228 . . . . . . . . 5 K H . 50392 1 10 . 1 . 1 5 5 LYS C C 13 176.373 . . . . . . . . 5 K C . 50392 1 11 . 1 . 1 5 5 LYS CA C 13 56.353 . . . . . . . . 5 K CA . 50392 1 12 . 1 . 1 5 5 LYS CB C 13 32.868 . . . . . . . . 5 K CB . 50392 1 13 . 1 . 1 5 5 LYS N N 15 121.094 . . . . . . . . 5 K N . 50392 1 14 . 1 . 1 6 6 ILE H H 1 7.933 . . . . . . . . 6 I H . 50392 1 15 . 1 . 1 6 6 ILE C C 13 175.880 . . . . . . . . 6 I C . 50392 1 16 . 1 . 1 6 6 ILE CA C 13 61.224 . . . . . . . . 6 I CA . 50392 1 17 . 1 . 1 6 6 ILE CB C 13 38.625 . . . . . . . . 6 I CB . 50392 1 18 . 1 . 1 6 6 ILE N N 15 120.780 . . . . . . . . 6 I N . 50392 1 19 . 1 . 1 7 7 HIS H H 1 8.307 . . . . . . . . 7 H H . 50392 1 20 . 1 . 1 7 7 HIS CA C 13 56.162 . . . . . . . . 7 H CA . 50392 1 21 . 1 . 1 7 7 HIS CB C 13 30.603 . . . . . . . . 7 H CB . 50392 1 22 . 1 . 1 7 7 HIS N N 15 123.504 . . . . . . . . 7 H N . 50392 1 23 . 1 . 1 12 12 HIS C C 13 175.080 . . . . . . . . 12 H C . 50392 1 24 . 1 . 1 12 12 HIS CA C 13 56.063 . . . . . . . . 12 H CA . 50392 1 25 . 1 . 1 12 12 HIS CB C 13 30.824 . . . . . . . . 12 H CB . 50392 1 26 . 1 . 1 13 13 ALA H H 1 8.362 . . . . . . . . 13 A H . 50392 1 27 . 1 . 1 13 13 ALA C C 13 178.081 . . . . . . . . 13 A C . 50392 1 28 . 1 . 1 13 13 ALA CA C 13 52.665 . . . . . . . . 13 A CA . 50392 1 29 . 1 . 1 13 13 ALA CB C 13 19.324 . . . . . . . . 13 A CB . 50392 1 30 . 1 . 1 13 13 ALA N N 15 125.668 . . . . . . . . 13 A N . 50392 1 31 . 1 . 1 14 14 GLY H H 1 8.386 . . . . . . . . 14 G H . 50392 1 32 . 1 . 1 14 14 GLY C C 13 173.952 . . . . . . . . 14 G C . 50392 1 33 . 1 . 1 14 14 GLY CA C 13 45.338 . . . . . . . . 14 G CA . 50392 1 34 . 1 . 1 14 14 GLY N N 15 108.198 . . . . . . . . 14 G N . 50392 1 35 . 1 . 1 15 15 ASN C C 13 175.192 . . . . . . . . 15 N C . 50392 1 36 . 1 . 1 15 15 ASN CA C 13 53.185 . . . . . . . . 15 N CA . 50392 1 37 . 1 . 1 15 15 ASN CB C 13 39.140 . . . . . . . . 15 N CB . 50392 1 38 . 1 . 1 16 16 ALA H H 1 8.361 . . . . . . . . 16 A H . 50392 1 39 . 1 . 1 16 16 ALA C C 13 177.855 . . . . . . . . 16 A C . 50392 1 40 . 1 . 1 16 16 ALA CA C 13 52.936 . . . . . . . . 16 A CA . 50392 1 41 . 1 . 1 16 16 ALA CB C 13 19.279 . . . . . . . . 16 A CB . 50392 1 42 . 1 . 1 16 16 ALA N N 15 124.383 . . . . . . . . 16 A N . 50392 1 43 . 1 . 1 17 17 THR H H 1 8.104 . . . . . . . . 17 T H . 50392 1 44 . 1 . 1 17 17 THR C C 13 174.480 . . . . . . . . 17 T C . 50392 1 45 . 1 . 1 17 17 THR CA C 13 61.995 . . . . . . . . 17 T CA . 50392 1 46 . 1 . 1 17 17 THR CB C 13 69.773 . . . . . . . . 17 T CB . 50392 1 47 . 1 . 1 17 17 THR N N 15 112.734 . . . . . . . . 17 T N . 50392 1 48 . 1 . 1 18 18 GLU H H 1 8.268 . . . . . . . . 18 E H . 50392 1 49 . 1 . 1 18 18 GLU C C 13 176.164 . . . . . . . . 18 E C . 50392 1 50 . 1 . 1 18 18 GLU CA C 13 56.201 . . . . . . . . 18 E CA . 50392 1 51 . 1 . 1 18 18 GLU CB C 13 30.578 . . . . . . . . 18 E CB . 50392 1 52 . 1 . 1 18 18 GLU N N 15 123.448 . . . . . . . . 18 E N . 50392 1 53 . 1 . 1 19 19 VAL H H 1 8.338 . . . . . . . . 19 V H . 50392 1 54 . 1 . 1 19 19 VAL C C 13 174.842 . . . . . . . . 19 V C . 50392 1 55 . 1 . 1 19 19 VAL CA C 13 59.955 . . . . . . . . 19 V CA . 50392 1 56 . 1 . 1 19 19 VAL CB C 13 32.256 . . . . . . . . 19 V CB . 50392 1 57 . 1 . 1 19 19 VAL N N 15 122.513 . . . . . . . . 19 V N . 50392 1 58 . 1 . 1 20 20 PRO C C 13 177.289 . . . . . . . . 20 P C . 50392 1 59 . 1 . 1 20 20 PRO CA C 13 63.696 . . . . . . . . 20 P CA . 50392 1 60 . 1 . 1 20 20 PRO CB C 13 32.144 . . . . . . . . 20 P CB . 50392 1 61 . 1 . 1 21 21 ALA H H 1 8.449 . . . . . . . . 21 A H . 50392 1 62 . 1 . 1 21 21 ALA C C 13 178.315 . . . . . . . . 21 A C . 50392 1 63 . 1 . 1 21 21 ALA CA C 13 53.372 . . . . . . . . 21 A CA . 50392 1 64 . 1 . 1 21 21 ALA CB C 13 19.140 . . . . . . . . 21 A CB . 50392 1 65 . 1 . 1 21 21 ALA N N 15 123.419 . . . . . . . . 21 A N . 50392 1 66 . 1 . 1 22 22 ASN C C 13 175.619 . . . . . . . . 22 N C . 50392 1 67 . 1 . 1 22 22 ASN CA C 13 54.040 . . . . . . . . 22 N CA . 50392 1 68 . 1 . 1 22 22 ASN CB C 13 38.779 . . . . . . . . 22 N CB . 50392 1 69 . 1 . 1 23 23 SER H H 1 8.207 . . . . . . . . 23 S H . 50392 1 70 . 1 . 1 23 23 SER CA C 13 60.197 . . . . . . . . 23 S CA . 50392 1 71 . 1 . 1 23 23 SER CB C 13 63.392 . . . . . . . . 23 S CB . 50392 1 72 . 1 . 1 23 23 SER N N 15 115.279 . . . . . . . . 23 S N . 50392 1 73 . 1 . 1 24 24 THR C C 13 175.954 . . . . . . . . 24 T C . 50392 1 74 . 1 . 1 24 24 THR CA C 13 64.102 . . . . . . . . 24 T CA . 50392 1 75 . 1 . 1 24 24 THR CB C 13 69.372 . . . . . . . . 24 T CB . 50392 1 76 . 1 . 1 25 25 VAL H H 1 8.011 . . . . . . . . 25 V H . 50392 1 77 . 1 . 1 25 25 VAL C C 13 176.524 . . . . . . . . 25 V C . 50392 1 78 . 1 . 1 25 25 VAL CA C 13 64.563 . . . . . . . . 25 V CA . 50392 1 79 . 1 . 1 25 25 VAL CB C 13 31.486 . . . . . . . . 25 V CB . 50392 1 80 . 1 . 1 25 25 VAL N N 15 122.015 . . . . . . . . 25 V N . 50392 1 81 . 1 . 1 26 26 LEU H H 1 7.863 . . . . . . . . 26 L H . 50392 1 82 . 1 . 1 26 26 LEU C C 13 179.046 . . . . . . . . 26 L C . 50392 1 83 . 1 . 1 26 26 LEU CA C 13 57.656 . . . . . . . . 26 L CA . 50392 1 84 . 1 . 1 26 26 LEU CB C 13 40.684 . . . . . . . . 26 L CB . 50392 1 85 . 1 . 1 26 26 LEU N N 15 121.159 . . . . . . . . 26 L N . 50392 1 86 . 1 . 1 27 27 SER H H 1 7.817 . . . . . . . . 27 S H . 50392 1 87 . 1 . 1 27 27 SER CA C 13 61.372 . . . . . . . . 27 S CA . 50392 1 88 . 1 . 1 27 27 SER CB C 13 62.900 . . . . . . . . 27 S CB . 50392 1 89 . 1 . 1 27 27 SER N N 15 114.295 . . . . . . . . 27 S N . 50392 1 90 . 1 . 1 30 30 ALA C C 13 178.051 . . . . . . . . 30 A C . 50392 1 91 . 1 . 1 30 30 ALA CA C 13 54.517 . . . . . . . . 30 A CA . 50392 1 92 . 1 . 1 30 30 ALA CB C 13 18.713 . . . . . . . . 30 A CB . 50392 1 93 . 1 . 1 31 31 PHE H H 1 7.417 . . . . . . . . 31 F H . 50392 1 94 . 1 . 1 31 31 PHE C C 13 175.503 . . . . . . . . 31 F C . 50392 1 95 . 1 . 1 31 31 PHE CA C 13 57.105 . . . . . . . . 31 F CA . 50392 1 96 . 1 . 1 31 31 PHE CB C 13 39.195 . . . . . . . . 31 F CB . 50392 1 97 . 1 . 1 31 31 PHE N N 15 114.025 . . . . . . . . 31 F N . 50392 1 98 . 1 . 1 32 32 ALA H H 1 7.085 . . . . . . . . 32 A H . 50392 1 99 . 1 . 1 32 32 ALA C C 13 177.645 . . . . . . . . 32 A C . 50392 1 100 . 1 . 1 32 32 ALA CA C 13 51.746 . . . . . . . . 32 A CA . 50392 1 101 . 1 . 1 32 32 ALA CB C 13 20.344 . . . . . . . . 32 A CB . 50392 1 102 . 1 . 1 32 32 ALA N N 15 122.838 . . . . . . . . 32 A N . 50392 1 103 . 1 . 1 33 33 VAL H H 1 8.430 . . . . . . . . 33 V H . 50392 1 104 . 1 . 1 33 33 VAL C C 13 176.474 . . . . . . . . 33 V C . 50392 1 105 . 1 . 1 33 33 VAL CA C 13 65.285 . . . . . . . . 33 V CA . 50392 1 106 . 1 . 1 33 33 VAL CB C 13 31.811 . . . . . . . . 33 V CB . 50392 1 107 . 1 . 1 33 33 VAL N N 15 120.096 . . . . . . . . 33 V N . 50392 1 108 . 1 . 1 34 34 ASP H H 1 7.607 . . . . . . . . 34 D H . 50392 1 109 . 1 . 1 34 34 ASP C C 13 176.160 . . . . . . . . 34 D C . 50392 1 110 . 1 . 1 34 34 ASP CA C 13 52.648 . . . . . . . . 34 D CA . 50392 1 111 . 1 . 1 34 34 ASP CB C 13 42.155 . . . . . . . . 34 D CB . 50392 1 112 . 1 . 1 34 34 ASP N N 15 117.969 . . . . . . . . 34 D N . 50392 1 113 . 1 . 1 35 35 ALA H H 1 8.839 . . . . . . . . 35 A H . 50392 1 114 . 1 . 1 35 35 ALA C C 13 178.119 . . . . . . . . 35 A C . 50392 1 115 . 1 . 1 35 35 ALA CA C 13 55.677 . . . . . . . . 35 A CA . 50392 1 116 . 1 . 1 35 35 ALA CB C 13 19.619 . . . . . . . . 35 A CB . 50392 1 117 . 1 . 1 35 35 ALA N N 15 129.271 . . . . . . . . 35 A N . 50392 1 118 . 1 . 1 36 36 ALA H H 1 8.040 . . . . . . . . 36 A H . 50392 1 119 . 1 . 1 36 36 ALA C C 13 179.849 . . . . . . . . 36 A C . 50392 1 120 . 1 . 1 36 36 ALA CA C 13 55.106 . . . . . . . . 36 A CA . 50392 1 121 . 1 . 1 36 36 ALA CB C 13 18.706 . . . . . . . . 36 A CB . 50392 1 122 . 1 . 1 36 36 ALA N N 15 118.780 . . . . . . . . 36 A N . 50392 1 123 . 1 . 1 37 37 LYS H H 1 7.734 . . . . . . . . 37 K H . 50392 1 124 . 1 . 1 37 37 LYS C C 13 178.135 . . . . . . . . 37 K C . 50392 1 125 . 1 . 1 37 37 LYS CA C 13 59.051 . . . . . . . . 37 K CA . 50392 1 126 . 1 . 1 37 37 LYS CB C 13 32.639 . . . . . . . . 37 K CB . 50392 1 127 . 1 . 1 37 37 LYS N N 15 119.810 . . . . . . . . 37 K N . 50392 1 128 . 1 . 1 38 38 ALA H H 1 8.039 . . . . . . . . 38 A H . 50392 1 129 . 1 . 1 38 38 ALA C C 13 180.208 . . . . . . . . 38 A C . 50392 1 130 . 1 . 1 38 38 ALA CA C 13 55.082 . . . . . . . . 38 A CA . 50392 1 131 . 1 . 1 38 38 ALA CB C 13 18.547 . . . . . . . . 38 A CB . 50392 1 132 . 1 . 1 38 38 ALA N N 15 120.011 . . . . . . . . 38 A N . 50392 1 133 . 1 . 1 39 39 TYR H H 1 8.398 . . . . . . . . 39 Y H . 50392 1 134 . 1 . 1 39 39 TYR C C 13 177.250 . . . . . . . . 39 Y C . 50392 1 135 . 1 . 1 39 39 TYR CA C 13 61.374 . . . . . . . . 39 Y CA . 50392 1 136 . 1 . 1 39 39 TYR CB C 13 38.212 . . . . . . . . 39 Y CB . 50392 1 137 . 1 . 1 39 39 TYR N N 15 119.511 . . . . . . . . 39 Y N . 50392 1 138 . 1 . 1 40 40 LYS H H 1 8.103 . . . . . . . . 40 K H . 50392 1 139 . 1 . 1 40 40 LYS C C 13 180.169 . . . . . . . . 40 K C . 50392 1 140 . 1 . 1 40 40 LYS CA C 13 60.730 . . . . . . . . 40 K CA . 50392 1 141 . 1 . 1 40 40 LYS CB C 13 32.053 . . . . . . . . 40 K CB . 50392 1 142 . 1 . 1 40 40 LYS N N 15 118.372 . . . . . . . . 40 K N . 50392 1 143 . 1 . 1 41 41 ASP H H 1 8.943 . . . . . . . . 41 D H . 50392 1 144 . 1 . 1 41 41 ASP C C 13 178.820 . . . . . . . . 41 D C . 50392 1 145 . 1 . 1 41 41 ASP CA C 13 57.357 . . . . . . . . 41 D CA . 50392 1 146 . 1 . 1 41 41 ASP CB C 13 39.858 . . . . . . . . 41 D CB . 50392 1 147 . 1 . 1 41 41 ASP N N 15 122.248 . . . . . . . . 41 D N . 50392 1 148 . 1 . 1 42 42 TYR H H 1 8.390 . . . . . . . . 42 Y H . 50392 1 149 . 1 . 1 42 42 TYR C C 13 179.401 . . . . . . . . 42 Y C . 50392 1 150 . 1 . 1 42 42 TYR CA C 13 60.798 . . . . . . . . 42 Y CA . 50392 1 151 . 1 . 1 42 42 TYR CB C 13 37.604 . . . . . . . . 42 Y CB . 50392 1 152 . 1 . 1 42 42 TYR N N 15 125.005 . . . . . . . . 42 Y N . 50392 1 153 . 1 . 1 43 43 LEU H H 1 8.458 . . . . . . . . 43 L H . 50392 1 154 . 1 . 1 43 43 LEU C C 13 181.629 . . . . . . . . 43 L C . 50392 1 155 . 1 . 1 43 43 LEU CA C 13 57.301 . . . . . . . . 43 L CA . 50392 1 156 . 1 . 1 43 43 LEU CB C 13 42.188 . . . . . . . . 43 L CB . 50392 1 157 . 1 . 1 43 43 LEU N N 15 122.802 . . . . . . . . 43 L N . 50392 1 158 . 1 . 1 44 44 ALA H H 1 8.148 . . . . . . . . 44 A H . 50392 1 159 . 1 . 1 44 44 ALA C C 13 178.968 . . . . . . . . 44 A C . 50392 1 160 . 1 . 1 44 44 ALA CA C 13 54.647 . . . . . . . . 44 A CA . 50392 1 161 . 1 . 1 44 44 ALA CB C 13 17.990 . . . . . . . . 44 A CB . 50392 1 162 . 1 . 1 44 44 ALA N N 15 123.123 . . . . . . . . 44 A N . 50392 1 163 . 1 . 1 45 45 SER H H 1 7.478 . . . . . . . . 45 S H . 50392 1 164 . 1 . 1 45 45 SER C C 13 173.841 . . . . . . . . 45 S C . 50392 1 165 . 1 . 1 45 45 SER CA C 13 58.431 . . . . . . . . 45 S CA . 50392 1 166 . 1 . 1 45 45 SER CB C 13 63.787 . . . . . . . . 45 S CB . 50392 1 167 . 1 . 1 45 45 SER N N 15 111.950 . . . . . . . . 45 S N . 50392 1 168 . 1 . 1 46 46 GLY H H 1 7.661 . . . . . . . . 46 G H . 50392 1 169 . 1 . 1 46 46 GLY C C 13 174.808 . . . . . . . . 46 G C . 50392 1 170 . 1 . 1 46 46 GLY CA C 13 44.665 . . . . . . . . 46 G CA . 50392 1 171 . 1 . 1 46 46 GLY N N 15 108.253 . . . . . . . . 46 G N . 50392 1 172 . 1 . 1 47 47 GLY H H 1 7.551 . . . . . . . . 47 G H . 50392 1 173 . 1 . 1 47 47 GLY C C 13 172.397 . . . . . . . . 47 G C . 50392 1 174 . 1 . 1 47 47 GLY CA C 13 44.282 . . . . . . . . 47 G CA . 50392 1 175 . 1 . 1 47 47 GLY N N 15 108.832 . . . . . . . . 47 G N . 50392 1 176 . 1 . 1 48 48 GLN H H 1 8.024 . . . . . . . . 48 Q H . 50392 1 177 . 1 . 1 48 48 GLN C C 13 174.487 . . . . . . . . 48 Q C . 50392 1 178 . 1 . 1 48 48 GLN CA C 13 53.448 . . . . . . . . 48 Q CA . 50392 1 179 . 1 . 1 48 48 GLN CB C 13 28.938 . . . . . . . . 48 Q CB . 50392 1 180 . 1 . 1 48 48 GLN N N 15 121.661 . . . . . . . . 48 Q N . 50392 1 181 . 1 . 1 49 49 PRO C C 13 176.525 . . . . . . . . 49 P C . 50392 1 182 . 1 . 1 49 49 PRO CA C 13 62.844 . . . . . . . . 49 P CA . 50392 1 183 . 1 . 1 49 49 PRO CB C 13 33.009 . . . . . . . . 49 P CB . 50392 1 184 . 1 . 1 50 50 ILE H H 1 7.761 . . . . . . . . 50 I H . 50392 1 185 . 1 . 1 50 50 ILE C C 13 176.954 . . . . . . . . 50 I C . 50392 1 186 . 1 . 1 50 50 ILE CA C 13 63.450 . . . . . . . . 50 I CA . 50392 1 187 . 1 . 1 50 50 ILE CB C 13 38.416 . . . . . . . . 50 I CB . 50392 1 188 . 1 . 1 50 50 ILE N N 15 121.285 . . . . . . . . 50 I N . 50392 1 189 . 1 . 1 51 51 THR H H 1 8.505 . . . . . . . . 51 T H . 50392 1 190 . 1 . 1 51 51 THR C C 13 174.755 . . . . . . . . 51 T C . 50392 1 191 . 1 . 1 51 51 THR CA C 13 60.423 . . . . . . . . 51 T CA . 50392 1 192 . 1 . 1 51 51 THR CB C 13 70.914 . . . . . . . . 51 T CB . 50392 1 193 . 1 . 1 51 51 THR N N 15 120.233 . . . . . . . . 51 T N . 50392 1 194 . 1 . 1 52 52 ASN H H 1 9.085 . . . . . . . . 52 N H . 50392 1 195 . 1 . 1 52 52 ASN C C 13 175.582 . . . . . . . . 52 N C . 50392 1 196 . 1 . 1 52 52 ASN CA C 13 54.723 . . . . . . . . 52 N CA . 50392 1 197 . 1 . 1 52 52 ASN CB C 13 36.906 . . . . . . . . 52 N CB . 50392 1 198 . 1 . 1 52 52 ASN N N 15 115.202 . . . . . . . . 52 N N . 50392 1 199 . 1 . 1 53 53 CYS H H 1 8.381 . . . . . . . . 53 C H . 50392 1 200 . 1 . 1 53 53 CYS C C 13 175.081 . . . . . . . . 53 C C . 50392 1 201 . 1 . 1 53 53 CYS CA C 13 60.816 . . . . . . . . 53 C CA . 50392 1 202 . 1 . 1 53 53 CYS CB C 13 27.898 . . . . . . . . 53 C CB . 50392 1 203 . 1 . 1 53 53 CYS N N 15 118.882 . . . . . . . . 53 C N . 50392 1 204 . 1 . 1 54 54 VAL H H 1 8.829 . . . . . . . . 54 V H . 50392 1 205 . 1 . 1 54 54 VAL C C 13 173.809 . . . . . . . . 54 V C . 50392 1 206 . 1 . 1 54 54 VAL CA C 13 63.599 . . . . . . . . 54 V CA . 50392 1 207 . 1 . 1 54 54 VAL CB C 13 32.135 . . . . . . . . 54 V CB . 50392 1 208 . 1 . 1 54 54 VAL N N 15 124.822 . . . . . . . . 54 V N . 50392 1 209 . 1 . 1 55 55 LYS H H 1 8.447 . . . . . . . . 55 K H . 50392 1 210 . 1 . 1 55 55 LYS C C 13 176.517 . . . . . . . . 55 K C . 50392 1 211 . 1 . 1 55 55 LYS CA C 13 56.239 . . . . . . . . 55 K CA . 50392 1 212 . 1 . 1 55 55 LYS CB C 13 33.210 . . . . . . . . 55 K CB . 50392 1 213 . 1 . 1 55 55 LYS N N 15 131.621 . . . . . . . . 55 K N . 50392 1 214 . 1 . 1 56 56 MET H H 1 8.729 . . . . . . . . 56 M H . 50392 1 215 . 1 . 1 56 56 MET C C 13 176.409 . . . . . . . . 56 M C . 50392 1 216 . 1 . 1 56 56 MET CA C 13 52.520 . . . . . . . . 56 M CA . 50392 1 217 . 1 . 1 56 56 MET CB C 13 31.260 . . . . . . . . 56 M CB . 50392 1 218 . 1 . 1 56 56 MET N N 15 124.708 . . . . . . . . 56 M N . 50392 1 219 . 1 . 1 57 57 LEU H H 1 8.506 . . . . . . . . 57 L H . 50392 1 220 . 1 . 1 57 57 LEU C C 13 176.102 . . . . . . . . 57 L C . 50392 1 221 . 1 . 1 57 57 LEU CA C 13 55.201 . . . . . . . . 57 L CA . 50392 1 222 . 1 . 1 57 57 LEU CB C 13 41.177 . . . . . . . . 57 L CB . 50392 1 223 . 1 . 1 57 57 LEU N N 15 125.223 . . . . . . . . 57 L N . 50392 1 224 . 1 . 1 58 58 CYS H H 1 8.224 . . . . . . . . 58 C H . 50392 1 225 . 1 . 1 58 58 CYS C C 13 173.952 . . . . . . . . 58 C C . 50392 1 226 . 1 . 1 58 58 CYS CA C 13 56.137 . . . . . . . . 58 C CA . 50392 1 227 . 1 . 1 58 58 CYS CB C 13 29.325 . . . . . . . . 58 C CB . 50392 1 228 . 1 . 1 58 58 CYS N N 15 119.436 . . . . . . . . 58 C N . 50392 1 229 . 1 . 1 60 60 HIS C C 13 174.383 . . . . . . . . 60 H C . 50392 1 230 . 1 . 1 61 61 THR H H 1 7.455 . . . . . . . . 61 T H . 50392 1 231 . 1 . 1 61 61 THR C C 13 175.150 . . . . . . . . 61 T C . 50392 1 232 . 1 . 1 61 61 THR CA C 13 60.022 . . . . . . . . 61 T CA . 50392 1 233 . 1 . 1 61 61 THR CB C 13 68.551 . . . . . . . . 61 T CB . 50392 1 234 . 1 . 1 61 61 THR N N 15 106.849 . . . . . . . . 61 T N . 50392 1 235 . 1 . 1 62 62 GLY H H 1 7.884 . . . . . . . . 62 G H . 50392 1 236 . 1 . 1 62 62 GLY C C 13 174.411 . . . . . . . . 62 G C . 50392 1 237 . 1 . 1 62 62 GLY CA C 13 44.785 . . . . . . . . 62 G CA . 50392 1 238 . 1 . 1 62 62 GLY N N 15 109.498 . . . . . . . . 62 G N . 50392 1 239 . 1 . 1 63 63 THR H H 1 8.931 . . . . . . . . 63 T H . 50392 1 240 . 1 . 1 63 63 THR C C 13 178.289 . . . . . . . . 63 T C . 50392 1 241 . 1 . 1 63 63 THR CA C 13 63.666 . . . . . . . . 63 T CA . 50392 1 242 . 1 . 1 63 63 THR CB C 13 70.198 . . . . . . . . 63 T CB . 50392 1 243 . 1 . 1 63 63 THR N N 15 108.442 . . . . . . . . 63 T N . 50392 1 244 . 1 . 1 64 64 GLY H H 1 9.245 . . . . . . . . 64 G H . 50392 1 245 . 1 . 1 64 64 GLY C C 13 174.829 . . . . . . . . 64 G C . 50392 1 246 . 1 . 1 64 64 GLY CA C 13 45.401 . . . . . . . . 64 G CA . 50392 1 247 . 1 . 1 64 64 GLY N N 15 109.725 . . . . . . . . 64 G N . 50392 1 248 . 1 . 1 65 65 GLN H H 1 7.299 . . . . . . . . 65 Q H . 50392 1 249 . 1 . 1 65 65 GLN C C 13 174.163 . . . . . . . . 65 Q C . 50392 1 250 . 1 . 1 65 65 GLN CA C 13 56.726 . . . . . . . . 65 Q CA . 50392 1 251 . 1 . 1 65 65 GLN CB C 13 30.069 . . . . . . . . 65 Q CB . 50392 1 252 . 1 . 1 65 65 GLN N N 15 117.239 . . . . . . . . 65 Q N . 50392 1 253 . 1 . 1 66 66 ALA H H 1 8.031 . . . . . . . . 66 A H . 50392 1 254 . 1 . 1 66 66 ALA C C 13 176.520 . . . . . . . . 66 A C . 50392 1 255 . 1 . 1 66 66 ALA CA C 13 57.460 . . . . . . . . 66 A CA . 50392 1 256 . 1 . 1 66 66 ALA CB C 13 19.667 . . . . . . . . 66 A CB . 50392 1 257 . 1 . 1 66 66 ALA N N 15 121.450 . . . . . . . . 66 A N . 50392 1 258 . 1 . 1 67 67 ILE H H 1 8.213 . . . . . . . . 67 I H . 50392 1 259 . 1 . 1 67 67 ILE C C 13 177.270 . . . . . . . . 67 I C . 50392 1 260 . 1 . 1 67 67 ILE CA C 13 60.878 . . . . . . . . 67 I CA . 50392 1 261 . 1 . 1 67 67 ILE CB C 13 40.590 . . . . . . . . 67 I CB . 50392 1 262 . 1 . 1 67 67 ILE N N 15 115.013 . . . . . . . . 67 I N . 50392 1 263 . 1 . 1 68 68 THR H H 1 9.459 . . . . . . . . 68 T H . 50392 1 264 . 1 . 1 68 68 THR C C 13 175.212 . . . . . . . . 68 T C . 50392 1 265 . 1 . 1 68 68 THR CA C 13 60.029 . . . . . . . . 68 T CA . 50392 1 266 . 1 . 1 68 68 THR CB C 13 73.294 . . . . . . . . 68 T CB . 50392 1 267 . 1 . 1 68 68 THR N N 15 117.521 . . . . . . . . 68 T N . 50392 1 268 . 1 . 1 69 69 VAL H H 1 8.744 . . . . . . . . 69 V H . 50392 1 269 . 1 . 1 69 69 VAL C C 13 175.901 . . . . . . . . 69 V C . 50392 1 270 . 1 . 1 69 69 VAL CA C 13 64.251 . . . . . . . . 69 V CA . 50392 1 271 . 1 . 1 69 69 VAL CB C 13 32.201 . . . . . . . . 69 V CB . 50392 1 272 . 1 . 1 69 69 VAL N N 15 115.113 . . . . . . . . 69 V N . 50392 1 273 . 1 . 1 70 70 THR H H 1 7.573 . . . . . . . . 70 T H . 50392 1 274 . 1 . 1 70 70 THR C C 13 171.637 . . . . . . . . 70 T C . 50392 1 275 . 1 . 1 70 70 THR CA C 13 58.828 . . . . . . . . 70 T CA . 50392 1 276 . 1 . 1 70 70 THR CB C 13 69.455 . . . . . . . . 70 T CB . 50392 1 277 . 1 . 1 70 70 THR N N 15 110.701 . . . . . . . . 70 T N . 50392 1 278 . 1 . 1 71 71 PRO C C 13 177.411 . . . . . . . . 71 P C . 50392 1 279 . 1 . 1 71 71 PRO CA C 13 65.060 . . . . . . . . 71 P CA . 50392 1 280 . 1 . 1 71 71 PRO CB C 13 30.763 . . . . . . . . 71 P CB . 50392 1 281 . 1 . 1 72 72 GLU H H 1 7.239 . . . . . . . . 72 E H . 50392 1 282 . 1 . 1 72 72 GLU C C 13 174.738 . . . . . . . . 72 E C . 50392 1 283 . 1 . 1 72 72 GLU CA C 13 54.763 . . . . . . . . 72 E CA . 50392 1 284 . 1 . 1 72 72 GLU CB C 13 29.980 . . . . . . . . 72 E CB . 50392 1 285 . 1 . 1 72 72 GLU N N 15 125.800 . . . . . . . . 72 E N . 50392 1 286 . 1 . 1 73 73 ALA H H 1 6.678 . . . . . . . . 73 A H . 50392 1 287 . 1 . 1 73 73 ALA C C 13 179.478 . . . . . . . . 73 A C . 50392 1 288 . 1 . 1 73 73 ALA CA C 13 53.566 . . . . . . . . 73 A CA . 50392 1 289 . 1 . 1 73 73 ALA CB C 13 18.633 . . . . . . . . 73 A CB . 50392 1 290 . 1 . 1 73 73 ALA N N 15 121.256 . . . . . . . . 73 A N . 50392 1 291 . 1 . 1 74 74 ASN H H 1 8.340 . . . . . . . . 74 N H . 50392 1 292 . 1 . 1 74 74 ASN C C 13 177.259 . . . . . . . . 74 N C . 50392 1 293 . 1 . 1 74 74 ASN CA C 13 50.849 . . . . . . . . 74 N CA . 50392 1 294 . 1 . 1 74 74 ASN CB C 13 37.993 . . . . . . . . 74 N CB . 50392 1 295 . 1 . 1 74 74 ASN N N 15 121.591 . . . . . . . . 74 N N . 50392 1 296 . 1 . 1 75 75 MET H H 1 8.243 . . . . . . . . 75 M H . 50392 1 297 . 1 . 1 75 75 MET C C 13 176.726 . . . . . . . . 75 M C . 50392 1 298 . 1 . 1 75 75 MET CA C 13 58.264 . . . . . . . . 75 M CA . 50392 1 299 . 1 . 1 75 75 MET CB C 13 32.076 . . . . . . . . 75 M CB . 50392 1 300 . 1 . 1 75 75 MET N N 15 115.784 . . . . . . . . 75 M N . 50392 1 301 . 1 . 1 76 76 ASP H H 1 8.320 . . . . . . . . 76 D H . 50392 1 302 . 1 . 1 76 76 ASP C C 13 176.069 . . . . . . . . 76 D C . 50392 1 303 . 1 . 1 76 76 ASP CA C 13 53.977 . . . . . . . . 76 D CA . 50392 1 304 . 1 . 1 76 76 ASP CB C 13 42.586 . . . . . . . . 76 D CB . 50392 1 305 . 1 . 1 76 76 ASP N N 15 118.659 . . . . . . . . 76 D N . 50392 1 306 . 1 . 1 77 77 GLN H H 1 7.473 . . . . . . . . 77 Q H . 50392 1 307 . 1 . 1 77 77 GLN C C 13 175.214 . . . . . . . . 77 Q C . 50392 1 308 . 1 . 1 77 77 GLN CA C 13 54.387 . . . . . . . . 77 Q CA . 50392 1 309 . 1 . 1 77 77 GLN CB C 13 35.122 . . . . . . . . 77 Q CB . 50392 1 310 . 1 . 1 77 77 GLN N N 15 119.711 . . . . . . . . 77 Q N . 50392 1 311 . 1 . 1 78 78 GLU H H 1 8.570 . . . . . . . . 78 E H . 50392 1 312 . 1 . 1 78 78 GLU C C 13 175.405 . . . . . . . . 78 E C . 50392 1 313 . 1 . 1 78 78 GLU CA C 13 54.093 . . . . . . . . 78 E CA . 50392 1 314 . 1 . 1 78 78 GLU CB C 13 33.453 . . . . . . . . 78 E CB . 50392 1 315 . 1 . 1 78 78 GLU N N 15 115.641 . . . . . . . . 78 E N . 50392 1 316 . 1 . 1 79 79 SER H H 1 9.341 . . . . . . . . 79 S H . 50392 1 317 . 1 . 1 79 79 SER C C 13 173.135 . . . . . . . . 79 S C . 50392 1 318 . 1 . 1 79 79 SER CA C 13 59.506 . . . . . . . . 79 S CA . 50392 1 319 . 1 . 1 79 79 SER CB C 13 66.353 . . . . . . . . 79 S CB . 50392 1 320 . 1 . 1 79 79 SER N N 15 119.096 . . . . . . . . 79 S N . 50392 1 321 . 1 . 1 80 80 PHE H H 1 9.539 . . . . . . . . 80 F H . 50392 1 322 . 1 . 1 80 80 PHE C C 13 177.646 . . . . . . . . 80 F C . 50392 1 323 . 1 . 1 80 80 PHE CA C 13 55.311 . . . . . . . . 80 F CA . 50392 1 324 . 1 . 1 80 80 PHE CB C 13 45.066 . . . . . . . . 80 F CB . 50392 1 325 . 1 . 1 80 80 PHE N N 15 121.148 . . . . . . . . 80 F N . 50392 1 326 . 1 . 1 81 81 GLY H H 1 9.393 . . . . . . . . 81 G H . 50392 1 327 . 1 . 1 81 81 GLY C C 13 177.557 . . . . . . . . 81 G C . 50392 1 328 . 1 . 1 81 81 GLY CA C 13 47.102 . . . . . . . . 81 G CA . 50392 1 329 . 1 . 1 81 81 GLY N N 15 107.075 . . . . . . . . 81 G N . 50392 1 330 . 1 . 1 82 82 GLY H H 1 8.868 . . . . . . . . 82 G H . 50392 1 331 . 1 . 1 82 82 GLY C C 13 175.369 . . . . . . . . 82 G C . 50392 1 332 . 1 . 1 82 82 GLY CA C 13 48.956 . . . . . . . . 82 G CA . 50392 1 333 . 1 . 1 82 82 GLY N N 15 118.490 . . . . . . . . 82 G N . 50392 1 334 . 1 . 1 83 83 ALA H H 1 8.752 . . . . . . . . 83 A H . 50392 1 335 . 1 . 1 83 83 ALA C C 13 180.399 . . . . . . . . 83 A C . 50392 1 336 . 1 . 1 83 83 ALA CA C 13 55.172 . . . . . . . . 83 A CA . 50392 1 337 . 1 . 1 83 83 ALA CB C 13 18.557 . . . . . . . . 83 A CB . 50392 1 338 . 1 . 1 83 83 ALA N N 15 121.854 . . . . . . . . 83 A N . 50392 1 339 . 1 . 1 84 84 SER H H 1 8.007 . . . . . . . . 84 S H . 50392 1 340 . 1 . 1 84 84 SER C C 13 174.197 . . . . . . . . 84 S C . 50392 1 341 . 1 . 1 84 84 SER CA C 13 60.123 . . . . . . . . 84 S CA . 50392 1 342 . 1 . 1 84 84 SER CB C 13 63.835 . . . . . . . . 84 S CB . 50392 1 343 . 1 . 1 84 84 SER N N 15 111.057 . . . . . . . . 84 S N . 50392 1 344 . 1 . 1 85 85 CYS H H 1 7.487 . . . . . . . . 85 C H . 50392 1 345 . 1 . 1 85 85 CYS C C 13 170.633 . . . . . . . . 85 C C . 50392 1 346 . 1 . 1 85 85 CYS CA C 13 58.788 . . . . . . . . 85 C CA . 50392 1 347 . 1 . 1 85 85 CYS CB C 13 27.965 . . . . . . . . 85 C CB . 50392 1 348 . 1 . 1 85 85 CYS N N 15 117.539 . . . . . . . . 85 C N . 50392 1 349 . 1 . 1 86 86 CYS H H 1 7.156 . . . . . . . . 86 C H . 50392 1 350 . 1 . 1 86 86 CYS C C 13 175.883 . . . . . . . . 86 C C . 50392 1 351 . 1 . 1 86 86 CYS CA C 13 56.636 . . . . . . . . 86 C CA . 50392 1 352 . 1 . 1 86 86 CYS CB C 13 29.520 . . . . . . . . 86 C CB . 50392 1 353 . 1 . 1 86 86 CYS N N 15 122.125 . . . . . . . . 86 C N . 50392 1 354 . 1 . 1 87 87 LEU H H 1 9.230 . . . . . . . . 87 L H . 50392 1 355 . 1 . 1 87 87 LEU C C 13 176.432 . . . . . . . . 87 L C . 50392 1 356 . 1 . 1 87 87 LEU CA C 13 58.364 . . . . . . . . 87 L CA . 50392 1 357 . 1 . 1 87 87 LEU CB C 13 42.592 . . . . . . . . 87 L CB . 50392 1 358 . 1 . 1 87 87 LEU N N 15 130.139 . . . . . . . . 87 L N . 50392 1 359 . 1 . 1 88 88 TYR H H 1 7.234 . . . . . . . . 88 Y H . 50392 1 360 . 1 . 1 88 88 TYR C C 13 178.810 . . . . . . . . 88 Y C . 50392 1 361 . 1 . 1 88 88 TYR CA C 13 60.830 . . . . . . . . 88 Y CA . 50392 1 362 . 1 . 1 88 88 TYR CB C 13 34.744 . . . . . . . . 88 Y CB . 50392 1 363 . 1 . 1 88 88 TYR N N 15 118.274 . . . . . . . . 88 Y N . 50392 1 364 . 1 . 1 89 89 CYS H H 1 8.913 . . . . . . . . 89 C H . 50392 1 365 . 1 . 1 89 89 CYS C C 13 180.409 . . . . . . . . 89 C C . 50392 1 366 . 1 . 1 89 89 CYS CA C 13 65.919 . . . . . . . . 89 C CA . 50392 1 367 . 1 . 1 89 89 CYS CB C 13 30.354 . . . . . . . . 89 C CB . 50392 1 368 . 1 . 1 89 89 CYS N N 15 123.530 . . . . . . . . 89 C N . 50392 1 369 . 1 . 1 90 90 ARG H H 1 8.615 . . . . . . . . 90 R H . 50392 1 370 . 1 . 1 90 90 ARG C C 13 178.920 . . . . . . . . 90 R C . 50392 1 371 . 1 . 1 90 90 ARG CA C 13 56.306 . . . . . . . . 90 R CA . 50392 1 372 . 1 . 1 90 90 ARG CB C 13 28.201 . . . . . . . . 90 R CB . 50392 1 373 . 1 . 1 90 90 ARG N N 15 117.411 . . . . . . . . 90 R N . 50392 1 374 . 1 . 1 91 91 CYS H H 1 7.939 . . . . . . . . 91 C H . 50392 1 375 . 1 . 1 91 91 CYS C C 13 173.067 . . . . . . . . 91 C C . 50392 1 376 . 1 . 1 91 91 CYS CA C 13 60.776 . . . . . . . . 91 C CA . 50392 1 377 . 1 . 1 91 91 CYS CB C 13 28.808 . . . . . . . . 91 C CB . 50392 1 378 . 1 . 1 91 91 CYS N N 15 113.308 . . . . . . . . 91 C N . 50392 1 379 . 1 . 1 92 92 HIS H H 1 7.617 . . . . . . . . 92 H H . 50392 1 380 . 1 . 1 92 92 HIS C C 13 174.144 . . . . . . . . 92 H C . 50392 1 381 . 1 . 1 92 92 HIS CA C 13 56.437 . . . . . . . . 92 H CA . 50392 1 382 . 1 . 1 92 92 HIS CB C 13 26.160 . . . . . . . . 92 H CB . 50392 1 383 . 1 . 1 92 92 HIS N N 15 116.751 . . . . . . . . 92 H N . 50392 1 384 . 1 . 1 93 93 ILE H H 1 7.856 . . . . . . . . 93 I H . 50392 1 385 . 1 . 1 93 93 ILE C C 13 175.285 . . . . . . . . 93 I C . 50392 1 386 . 1 . 1 93 93 ILE CA C 13 59.421 . . . . . . . . 93 I CA . 50392 1 387 . 1 . 1 93 93 ILE CB C 13 41.659 . . . . . . . . 93 I CB . 50392 1 388 . 1 . 1 93 93 ILE N N 15 111.736 . . . . . . . . 93 I N . 50392 1 389 . 1 . 1 94 94 ASP H H 1 8.171 . . . . . . . . 94 D H . 50392 1 390 . 1 . 1 94 94 ASP C C 13 176.166 . . . . . . . . 94 D C . 50392 1 391 . 1 . 1 94 94 ASP CA C 13 54.981 . . . . . . . . 94 D CA . 50392 1 392 . 1 . 1 94 94 ASP CB C 13 40.769 . . . . . . . . 94 D CB . 50392 1 393 . 1 . 1 94 94 ASP N N 15 118.958 . . . . . . . . 94 D N . 50392 1 394 . 1 . 1 95 95 HIS H H 1 8.574 . . . . . . . . 95 H H . 50392 1 395 . 1 . 1 95 95 HIS C C 13 174.901 . . . . . . . . 95 H C . 50392 1 396 . 1 . 1 95 95 HIS CA C 13 54.914 . . . . . . . . 95 H CA . 50392 1 397 . 1 . 1 95 95 HIS CB C 13 27.910 . . . . . . . . 95 H CB . 50392 1 398 . 1 . 1 95 95 HIS N N 15 119.326 . . . . . . . . 95 H N . 50392 1 399 . 1 . 1 96 96 PRO C C 13 175.386 . . . . . . . . 96 P C . 50392 1 400 . 1 . 1 96 96 PRO CA C 13 63.353 . . . . . . . . 96 P CA . 50392 1 401 . 1 . 1 96 96 PRO CB C 13 29.696 . . . . . . . . 96 P CB . 50392 1 402 . 1 . 1 97 97 ASN H H 1 8.053 . . . . . . . . 97 N H . 50392 1 403 . 1 . 1 97 97 ASN C C 13 174.340 . . . . . . . . 97 N C . 50392 1 404 . 1 . 1 97 97 ASN CA C 13 51.841 . . . . . . . . 97 N CA . 50392 1 405 . 1 . 1 97 97 ASN CB C 13 39.423 . . . . . . . . 97 N CB . 50392 1 406 . 1 . 1 97 97 ASN N N 15 118.472 . . . . . . . . 97 N N . 50392 1 407 . 1 . 1 98 98 PRO C C 13 177.771 . . . . . . . . 98 P C . 50392 1 408 . 1 . 1 98 98 PRO CA C 13 65.253 . . . . . . . . 98 P CA . 50392 1 409 . 1 . 1 98 98 PRO CB C 13 32.110 . . . . . . . . 98 P CB . 50392 1 410 . 1 . 1 99 99 LYS H H 1 8.197 . . . . . . . . 99 K H . 50392 1 411 . 1 . 1 99 99 LYS C C 13 176.955 . . . . . . . . 99 K C . 50392 1 412 . 1 . 1 99 99 LYS CA C 13 56.383 . . . . . . . . 99 K CA . 50392 1 413 . 1 . 1 99 99 LYS CB C 13 31.898 . . . . . . . . 99 K CB . 50392 1 414 . 1 . 1 99 99 LYS N N 15 115.739 . . . . . . . . 99 K N . 50392 1 415 . 1 . 1 100 100 GLY H H 1 8.189 . . . . . . . . 100 G H . 50392 1 416 . 1 . 1 100 100 GLY C C 13 174.216 . . . . . . . . 100 G C . 50392 1 417 . 1 . 1 100 100 GLY CA C 13 46.157 . . . . . . . . 100 G CA . 50392 1 418 . 1 . 1 100 100 GLY N N 15 109.268 . . . . . . . . 100 G N . 50392 1 419 . 1 . 1 101 101 PHE H H 1 7.555 . . . . . . . . 101 F H . 50392 1 420 . 1 . 1 101 101 PHE C C 13 173.288 . . . . . . . . 101 F C . 50392 1 421 . 1 . 1 101 101 PHE CA C 13 57.130 . . . . . . . . 101 F CA . 50392 1 422 . 1 . 1 101 101 PHE CB C 13 40.251 . . . . . . . . 101 F CB . 50392 1 423 . 1 . 1 101 101 PHE N N 15 119.931 . . . . . . . . 101 F N . 50392 1 424 . 1 . 1 102 102 CYS H H 1 7.723 . . . . . . . . 102 C H . 50392 1 425 . 1 . 1 102 102 CYS C C 13 175.250 . . . . . . . . 102 C C . 50392 1 426 . 1 . 1 102 102 CYS CA C 13 59.223 . . . . . . . . 102 C CA . 50392 1 427 . 1 . 1 102 102 CYS CB C 13 30.540 . . . . . . . . 102 C CB . 50392 1 428 . 1 . 1 102 102 CYS N N 15 125.926 . . . . . . . . 102 C N . 50392 1 429 . 1 . 1 103 103 ASP H H 1 8.771 . . . . . . . . 103 D H . 50392 1 430 . 1 . 1 103 103 ASP C C 13 174.995 . . . . . . . . 103 D C . 50392 1 431 . 1 . 1 103 103 ASP CA C 13 55.807 . . . . . . . . 103 D CA . 50392 1 432 . 1 . 1 103 103 ASP CB C 13 41.364 . . . . . . . . 103 D CB . 50392 1 433 . 1 . 1 103 103 ASP N N 15 128.068 . . . . . . . . 103 D N . 50392 1 434 . 1 . 1 104 104 LEU H H 1 8.549 . . . . . . . . 104 L H . 50392 1 435 . 1 . 1 104 104 LEU C C 13 176.102 . . . . . . . . 104 L C . 50392 1 436 . 1 . 1 104 104 LEU CA C 13 54.147 . . . . . . . . 104 L CA . 50392 1 437 . 1 . 1 104 104 LEU CB C 13 33.588 . . . . . . . . 104 L CB . 50392 1 438 . 1 . 1 104 104 LEU N N 15 120.503 . . . . . . . . 104 L N . 50392 1 439 . 1 . 1 105 105 LYS H H 1 8.684 . . . . . . . . 105 K H . 50392 1 440 . 1 . 1 105 105 LYS C C 13 179.152 . . . . . . . . 105 K C . 50392 1 441 . 1 . 1 105 105 LYS CA C 13 58.105 . . . . . . . . 105 K CA . 50392 1 442 . 1 . 1 105 105 LYS CB C 13 31.508 . . . . . . . . 105 K CB . 50392 1 443 . 1 . 1 105 105 LYS N N 15 120.455 . . . . . . . . 105 K N . 50392 1 444 . 1 . 1 106 106 GLY C C 13 173.229 . . . . . . . . 106 G C . 50392 1 445 . 1 . 1 106 106 GLY CA C 13 45.260 . . . . . . . . 106 G CA . 50392 1 446 . 1 . 1 107 107 LYS H H 1 7.790 . . . . . . . . 107 K H . 50392 1 447 . 1 . 1 107 107 LYS C C 13 175.053 . . . . . . . . 107 K C . 50392 1 448 . 1 . 1 107 107 LYS CA C 13 53.701 . . . . . . . . 107 K CA . 50392 1 449 . 1 . 1 107 107 LYS CB C 13 35.195 . . . . . . . . 107 K CB . 50392 1 450 . 1 . 1 107 107 LYS N N 15 120.033 . . . . . . . . 107 K N . 50392 1 451 . 1 . 1 108 108 TYR H H 1 9.318 . . . . . . . . 108 Y H . 50392 1 452 . 1 . 1 108 108 TYR C C 13 173.062 . . . . . . . . 108 Y C . 50392 1 453 . 1 . 1 108 108 TYR CA C 13 58.257 . . . . . . . . 108 Y CA . 50392 1 454 . 1 . 1 108 108 TYR CB C 13 40.201 . . . . . . . . 108 Y CB . 50392 1 455 . 1 . 1 108 108 TYR N N 15 120.421 . . . . . . . . 108 Y N . 50392 1 456 . 1 . 1 109 109 VAL H H 1 9.301 . . . . . . . . 109 V H . 50392 1 457 . 1 . 1 109 109 VAL C C 13 174.366 . . . . . . . . 109 V C . 50392 1 458 . 1 . 1 109 109 VAL CA C 13 58.252 . . . . . . . . 109 V CA . 50392 1 459 . 1 . 1 109 109 VAL CB C 13 35.377 . . . . . . . . 109 V CB . 50392 1 460 . 1 . 1 109 109 VAL N N 15 120.368 . . . . . . . . 109 V N . 50392 1 461 . 1 . 1 110 110 GLN H H 1 9.259 . . . . . . . . 110 Q H . 50392 1 462 . 1 . 1 110 110 GLN C C 13 174.786 . . . . . . . . 110 Q C . 50392 1 463 . 1 . 1 110 110 GLN CA C 13 55.836 . . . . . . . . 110 Q CA . 50392 1 464 . 1 . 1 110 110 GLN CB C 13 30.845 . . . . . . . . 110 Q CB . 50392 1 465 . 1 . 1 110 110 GLN N N 15 130.369 . . . . . . . . 110 Q N . 50392 1 466 . 1 . 1 111 111 ILE H H 1 9.031 . . . . . . . . 111 I H . 50392 1 467 . 1 . 1 111 111 ILE C C 13 173.807 . . . . . . . . 111 I C . 50392 1 468 . 1 . 1 111 111 ILE CA C 13 54.160 . . . . . . . . 111 I CA . 50392 1 469 . 1 . 1 111 111 ILE CB C 13 40.516 . . . . . . . . 111 I CB . 50392 1 470 . 1 . 1 111 111 ILE N N 15 123.246 . . . . . . . . 111 I N . 50392 1 471 . 1 . 1 112 112 PRO C C 13 178.426 . . . . . . . . 112 P C . 50392 1 472 . 1 . 1 112 112 PRO CA C 13 62.915 . . . . . . . . 112 P CA . 50392 1 473 . 1 . 1 112 112 PRO CB C 13 31.912 . . . . . . . . 112 P CB . 50392 1 474 . 1 . 1 113 113 THR H H 1 9.092 . . . . . . . . 113 T H . 50392 1 475 . 1 . 1 113 113 THR C C 13 177.152 . . . . . . . . 113 T C . 50392 1 476 . 1 . 1 113 113 THR CA C 13 67.096 . . . . . . . . 113 T CA . 50392 1 477 . 1 . 1 113 113 THR CB C 13 68.112 . . . . . . . . 113 T CB . 50392 1 478 . 1 . 1 113 113 THR N N 15 122.835 . . . . . . . . 113 T N . 50392 1 479 . 1 . 1 114 114 THR H H 1 7.857 . . . . . . . . 114 T H . 50392 1 480 . 1 . 1 114 114 THR C C 13 175.944 . . . . . . . . 114 T C . 50392 1 481 . 1 . 1 114 114 THR CA C 13 64.016 . . . . . . . . 114 T CA . 50392 1 482 . 1 . 1 114 114 THR CB C 13 68.998 . . . . . . . . 114 T CB . 50392 1 483 . 1 . 1 114 114 THR N N 15 110.128 . . . . . . . . 114 T N . 50392 1 484 . 1 . 1 115 115 CYS H H 1 7.892 . . . . . . . . 115 C H . 50392 1 485 . 1 . 1 115 115 CYS C C 13 174.774 . . . . . . . . 115 C C . 50392 1 486 . 1 . 1 115 115 CYS CA C 13 58.429 . . . . . . . . 115 C CA . 50392 1 487 . 1 . 1 115 115 CYS CB C 13 30.073 . . . . . . . . 115 C CB . 50392 1 488 . 1 . 1 115 115 CYS N N 15 117.937 . . . . . . . . 115 C N . 50392 1 489 . 1 . 1 116 116 ALA H H 1 7.359 . . . . . . . . 116 A H . 50392 1 490 . 1 . 1 116 116 ALA C C 13 175.122 . . . . . . . . 116 A C . 50392 1 491 . 1 . 1 116 116 ALA CA C 13 54.118 . . . . . . . . 116 A CA . 50392 1 492 . 1 . 1 116 116 ALA CB C 13 17.572 . . . . . . . . 116 A CB . 50392 1 493 . 1 . 1 116 116 ALA N N 15 121.420 . . . . . . . . 116 A N . 50392 1 494 . 1 . 1 117 117 ASN H H 1 8.323 . . . . . . . . 117 N H . 50392 1 495 . 1 . 1 117 117 ASN C C 13 175.543 . . . . . . . . 117 N C . 50392 1 496 . 1 . 1 117 117 ASN CA C 13 54.578 . . . . . . . . 117 N CA . 50392 1 497 . 1 . 1 117 117 ASN CB C 13 37.288 . . . . . . . . 117 N CB . 50392 1 498 . 1 . 1 117 117 ASN N N 15 114.261 . . . . . . . . 117 N N . 50392 1 499 . 1 . 1 118 118 ASP H H 1 7.410 . . . . . . . . 118 D H . 50392 1 500 . 1 . 1 118 118 ASP C C 13 172.213 . . . . . . . . 118 D C . 50392 1 501 . 1 . 1 118 118 ASP CA C 13 51.750 . . . . . . . . 118 D CA . 50392 1 502 . 1 . 1 118 118 ASP CB C 13 41.454 . . . . . . . . 118 D CB . 50392 1 503 . 1 . 1 118 118 ASP N N 15 116.110 . . . . . . . . 118 D N . 50392 1 504 . 1 . 1 119 119 PRO C C 13 178.467 . . . . . . . . 119 P C . 50392 1 505 . 1 . 1 119 119 PRO CA C 13 65.515 . . . . . . . . 119 P CA . 50392 1 506 . 1 . 1 119 119 PRO CB C 13 33.436 . . . . . . . . 119 P CB . 50392 1 507 . 1 . 1 120 120 VAL H H 1 8.270 . . . . . . . . 120 V H . 50392 1 508 . 1 . 1 120 120 VAL C C 13 178.730 . . . . . . . . 120 V C . 50392 1 509 . 1 . 1 120 120 VAL CA C 13 65.175 . . . . . . . . 120 V CA . 50392 1 510 . 1 . 1 120 120 VAL CB C 13 30.798 . . . . . . . . 120 V CB . 50392 1 511 . 1 . 1 120 120 VAL N N 15 115.017 . . . . . . . . 120 V N . 50392 1 512 . 1 . 1 121 121 GLY H H 1 8.129 . . . . . . . . 121 G H . 50392 1 513 . 1 . 1 121 121 GLY C C 13 175.951 . . . . . . . . 121 G C . 50392 1 514 . 1 . 1 121 121 GLY CA C 13 48.022 . . . . . . . . 121 G CA . 50392 1 515 . 1 . 1 121 121 GLY N N 15 107.027 . . . . . . . . 121 G N . 50392 1 516 . 1 . 1 122 122 PHE H H 1 8.280 . . . . . . . . 122 F H . 50392 1 517 . 1 . 1 122 122 PHE C C 13 179.111 . . . . . . . . 122 F C . 50392 1 518 . 1 . 1 122 122 PHE CA C 13 63.051 . . . . . . . . 122 F CA . 50392 1 519 . 1 . 1 122 122 PHE CB C 13 39.062 . . . . . . . . 122 F CB . 50392 1 520 . 1 . 1 122 122 PHE N N 15 120.299 . . . . . . . . 122 F N . 50392 1 521 . 1 . 1 123 123 THR H H 1 8.215 . . . . . . . . 123 T H . 50392 1 522 . 1 . 1 123 123 THR C C 13 176.634 . . . . . . . . 123 T C . 50392 1 523 . 1 . 1 123 123 THR CA C 13 65.371 . . . . . . . . 123 T CA . 50392 1 524 . 1 . 1 123 123 THR CB C 13 68.848 . . . . . . . . 123 T CB . 50392 1 525 . 1 . 1 123 123 THR N N 15 111.034 . . . . . . . . 123 T N . 50392 1 526 . 1 . 1 124 124 LEU H H 1 7.635 . . . . . . . . 124 L H . 50392 1 527 . 1 . 1 124 124 LEU C C 13 179.542 . . . . . . . . 124 L C . 50392 1 528 . 1 . 1 124 124 LEU CA C 13 56.625 . . . . . . . . 124 L CA . 50392 1 529 . 1 . 1 124 124 LEU CB C 13 43.787 . . . . . . . . 124 L CB . 50392 1 530 . 1 . 1 124 124 LEU N N 15 119.599 . . . . . . . . 124 L N . 50392 1 531 . 1 . 1 125 125 LYS H H 1 7.424 . . . . . . . . 125 K H . 50392 1 532 . 1 . 1 125 125 LYS C C 13 176.060 . . . . . . . . 125 K C . 50392 1 533 . 1 . 1 125 125 LYS CA C 13 57.165 . . . . . . . . 125 K CA . 50392 1 534 . 1 . 1 125 125 LYS CB C 13 34.921 . . . . . . . . 125 K CB . 50392 1 535 . 1 . 1 125 125 LYS N N 15 115.719 . . . . . . . . 125 K N . 50392 1 536 . 1 . 1 126 126 ASN H H 1 6.984 . . . . . . . . 126 N H . 50392 1 537 . 1 . 1 126 126 ASN C C 13 173.335 . . . . . . . . 126 N C . 50392 1 538 . 1 . 1 126 126 ASN CA C 13 53.978 . . . . . . . . 126 N CA . 50392 1 539 . 1 . 1 126 126 ASN CB C 13 42.551 . . . . . . . . 126 N CB . 50392 1 540 . 1 . 1 126 126 ASN N N 15 117.370 . . . . . . . . 126 N N . 50392 1 541 . 1 . 1 127 127 THR H H 1 9.035 . . . . . . . . 127 T H . 50392 1 542 . 1 . 1 127 127 THR C C 13 172.685 . . . . . . . . 127 T C . 50392 1 543 . 1 . 1 127 127 THR CA C 13 61.393 . . . . . . . . 127 T CA . 50392 1 544 . 1 . 1 127 127 THR CB C 13 72.607 . . . . . . . . 127 T CB . 50392 1 545 . 1 . 1 127 127 THR N N 15 112.894 . . . . . . . . 127 T N . 50392 1 546 . 1 . 1 128 128 VAL H H 1 8.863 . . . . . . . . 128 V H . 50392 1 547 . 1 . 1 128 128 VAL C C 13 175.988 . . . . . . . . 128 V C . 50392 1 548 . 1 . 1 128 128 VAL CA C 13 62.612 . . . . . . . . 128 V CA . 50392 1 549 . 1 . 1 128 128 VAL CB C 13 32.920 . . . . . . . . 128 V CB . 50392 1 550 . 1 . 1 128 128 VAL N N 15 126.773 . . . . . . . . 128 V N . 50392 1 551 . 1 . 1 129 129 CYS H H 1 8.907 . . . . . . . . 129 C H . 50392 1 552 . 1 . 1 129 129 CYS C C 13 177.811 . . . . . . . . 129 C C . 50392 1 553 . 1 . 1 129 129 CYS CA C 13 60.148 . . . . . . . . 129 C CA . 50392 1 554 . 1 . 1 129 129 CYS CB C 13 31.572 . . . . . . . . 129 C CB . 50392 1 555 . 1 . 1 129 129 CYS N N 15 130.293 . . . . . . . . 129 C N . 50392 1 556 . 1 . 1 130 130 THR H H 1 8.684 . . . . . . . . 130 T H . 50392 1 557 . 1 . 1 130 130 THR C C 13 174.686 . . . . . . . . 130 T C . 50392 1 558 . 1 . 1 130 130 THR CA C 13 64.032 . . . . . . . . 130 T CA . 50392 1 559 . 1 . 1 130 130 THR CB C 13 68.834 . . . . . . . . 130 T CB . 50392 1 560 . 1 . 1 130 130 THR N N 15 122.560 . . . . . . . . 130 T N . 50392 1 561 . 1 . 1 131 131 VAL H H 1 9.351 . . . . . . . . 131 V H . 50392 1 562 . 1 . 1 131 131 VAL C C 13 177.700 . . . . . . . . 131 V C . 50392 1 563 . 1 . 1 131 131 VAL CA C 13 65.671 . . . . . . . . 131 V CA . 50392 1 564 . 1 . 1 131 131 VAL CB C 13 32.459 . . . . . . . . 131 V CB . 50392 1 565 . 1 . 1 131 131 VAL N N 15 126.213 . . . . . . . . 131 V N . 50392 1 566 . 1 . 1 132 132 CYS H H 1 8.668 . . . . . . . . 132 C H . 50392 1 567 . 1 . 1 132 132 CYS C C 13 177.404 . . . . . . . . 132 C C . 50392 1 568 . 1 . 1 132 132 CYS CA C 13 58.617 . . . . . . . . 132 C CA . 50392 1 569 . 1 . 1 132 132 CYS CB C 13 32.454 . . . . . . . . 132 C CB . 50392 1 570 . 1 . 1 132 132 CYS N N 15 118.697 . . . . . . . . 132 C N . 50392 1 571 . 1 . 1 133 133 GLY H H 1 7.720 . . . . . . . . 133 G H . 50392 1 572 . 1 . 1 133 133 GLY C C 13 173.772 . . . . . . . . 133 G C . 50392 1 573 . 1 . 1 133 133 GLY CA C 13 46.555 . . . . . . . . 133 G CA . 50392 1 574 . 1 . 1 133 133 GLY N N 15 111.553 . . . . . . . . 133 G N . 50392 1 575 . 1 . 1 134 134 MET H H 1 8.548 . . . . . . . . 134 M H . 50392 1 576 . 1 . 1 134 134 MET C C 13 177.411 . . . . . . . . 134 M C . 50392 1 577 . 1 . 1 134 134 MET CA C 13 56.161 . . . . . . . . 134 M CA . 50392 1 578 . 1 . 1 134 134 MET CB C 13 30.507 . . . . . . . . 134 M CB . 50392 1 579 . 1 . 1 134 134 MET N N 15 120.495 . . . . . . . . 134 M N . 50392 1 580 . 1 . 1 135 135 TRP H H 1 8.322 . . . . . . . . 135 W H . 50392 1 581 . 1 . 1 135 135 TRP C C 13 177.220 . . . . . . . . 135 W C . 50392 1 582 . 1 . 1 135 135 TRP CA C 13 59.113 . . . . . . . . 135 W CA . 50392 1 583 . 1 . 1 135 135 TRP CB C 13 31.885 . . . . . . . . 135 W CB . 50392 1 584 . 1 . 1 135 135 TRP N N 15 122.781 . . . . . . . . 135 W N . 50392 1 585 . 1 . 1 136 136 LYS H H 1 9.503 . . . . . . . . 136 K H . 50392 1 586 . 1 . 1 136 136 LYS C C 13 178.546 . . . . . . . . 136 K C . 50392 1 587 . 1 . 1 136 136 LYS CA C 13 58.435 . . . . . . . . 136 K CA . 50392 1 588 . 1 . 1 136 136 LYS CB C 13 31.117 . . . . . . . . 136 K CB . 50392 1 589 . 1 . 1 136 136 LYS N N 15 126.364 . . . . . . . . 136 K N . 50392 1 590 . 1 . 1 137 137 GLY H H 1 9.288 . . . . . . . . 137 G H . 50392 1 591 . 1 . 1 137 137 GLY C C 13 173.694 . . . . . . . . 137 G C . 50392 1 592 . 1 . 1 137 137 GLY CA C 13 45.516 . . . . . . . . 137 G CA . 50392 1 593 . 1 . 1 137 137 GLY N N 15 114.225 . . . . . . . . 137 G N . 50392 1 594 . 1 . 1 138 138 TYR H H 1 7.713 . . . . . . . . 138 Y H . 50392 1 595 . 1 . 1 138 138 TYR C C 13 175.830 . . . . . . . . 138 Y C . 50392 1 596 . 1 . 1 138 138 TYR CA C 13 56.925 . . . . . . . . 138 Y CA . 50392 1 597 . 1 . 1 138 138 TYR CB C 13 39.243 . . . . . . . . 138 Y CB . 50392 1 598 . 1 . 1 138 138 TYR N N 15 118.652 . . . . . . . . 138 Y N . 50392 1 599 . 1 . 1 139 139 GLY H H 1 8.744 . . . . . . . . 139 G H . 50392 1 600 . 1 . 1 139 139 GLY C C 13 173.947 . . . . . . . . 139 G C . 50392 1 601 . 1 . 1 139 139 GLY CA C 13 45.949 . . . . . . . . 139 G CA . 50392 1 602 . 1 . 1 139 139 GLY N N 15 110.195 . . . . . . . . 139 G N . 50392 1 603 . 1 . 1 140 140 CYS H H 1 7.497 . . . . . . . . 140 C H . 50392 1 604 . 1 . 1 140 140 CYS C C 13 177.250 . . . . . . . . 140 C C . 50392 1 605 . 1 . 1 140 140 CYS CA C 13 60.824 . . . . . . . . 140 C CA . 50392 1 606 . 1 . 1 140 140 CYS CB C 13 29.604 . . . . . . . . 140 C CB . 50392 1 607 . 1 . 1 140 140 CYS N N 15 122.406 . . . . . . . . 140 C N . 50392 1 608 . 1 . 1 141 141 SER H H 1 9.399 . . . . . . . . 141 S H . 50392 1 609 . 1 . 1 141 141 SER C C 13 175.288 . . . . . . . . 141 S C . 50392 1 610 . 1 . 1 141 141 SER CA C 13 57.459 . . . . . . . . 141 S CA . 50392 1 611 . 1 . 1 141 141 SER CB C 13 63.827 . . . . . . . . 141 S CB . 50392 1 612 . 1 . 1 141 141 SER N N 15 128.561 . . . . . . . . 141 S N . 50392 1 613 . 1 . 1 142 142 CYS H H 1 9.452 . . . . . . . . 142 C H . 50392 1 614 . 1 . 1 142 142 CYS C C 13 176.763 . . . . . . . . 142 C C . 50392 1 615 . 1 . 1 142 142 CYS CA C 13 63.767 . . . . . . . . 142 C CA . 50392 1 616 . 1 . 1 142 142 CYS CB C 13 29.627 . . . . . . . . 142 C CB . 50392 1 617 . 1 . 1 142 142 CYS N N 15 127.237 . . . . . . . . 142 C N . 50392 1 618 . 1 . 1 143 143 ASP H H 1 8.562 . . . . . . . . 143 D H . 50392 1 619 . 1 . 1 143 143 ASP C C 13 176.458 . . . . . . . . 143 D C . 50392 1 620 . 1 . 1 143 143 ASP CA C 13 54.779 . . . . . . . . 143 D CA . 50392 1 621 . 1 . 1 143 143 ASP CB C 13 40.737 . . . . . . . . 143 D CB . 50392 1 622 . 1 . 1 143 143 ASP N N 15 118.473 . . . . . . . . 143 D N . 50392 1 623 . 1 . 1 144 144 GLN H H 1 8.011 . . . . . . . . 144 Q H . 50392 1 624 . 1 . 1 144 144 GLN C C 13 176.121 . . . . . . . . 144 Q C . 50392 1 625 . 1 . 1 144 144 GLN CA C 13 56.148 . . . . . . . . 144 Q CA . 50392 1 626 . 1 . 1 144 144 GLN CB C 13 29.326 . . . . . . . . 144 Q CB . 50392 1 627 . 1 . 1 144 144 GLN N N 15 119.845 . . . . . . . . 144 Q N . 50392 1 628 . 1 . 1 145 145 LEU H H 1 8.156 . . . . . . . . 145 L H . 50392 1 629 . 1 . 1 145 145 LEU C C 13 177.245 . . . . . . . . 145 L C . 50392 1 630 . 1 . 1 145 145 LEU CA C 13 55.359 . . . . . . . . 145 L CA . 50392 1 631 . 1 . 1 145 145 LEU CB C 13 42.141 . . . . . . . . 145 L CB . 50392 1 632 . 1 . 1 145 145 LEU N N 15 122.410 . . . . . . . . 145 L N . 50392 1 633 . 1 . 1 146 146 ARG H H 1 8.179 . . . . . . . . 146 R H . 50392 1 634 . 1 . 1 146 146 ARG C C 13 175.977 . . . . . . . . 146 R C . 50392 1 635 . 1 . 1 146 146 ARG CA C 13 55.800 . . . . . . . . 146 R CA . 50392 1 636 . 1 . 1 146 146 ARG CB C 13 31.075 . . . . . . . . 146 R CB . 50392 1 637 . 1 . 1 146 146 ARG CD C 13 43.375 . . . . . . . . 146 R CD . 50392 1 638 . 1 . 1 146 146 ARG N N 15 121.816 . . . . . . . . 146 R N . 50392 1 639 . 1 . 1 147 147 GLU H H 1 8.346 . . . . . . . . 147 E H . 50392 1 640 . 1 . 1 147 147 GLU C C 13 174.497 . . . . . . . . 147 E C . 50392 1 641 . 1 . 1 147 147 GLU CA C 13 54.557 . . . . . . . . 147 E CA . 50392 1 642 . 1 . 1 147 147 GLU CB C 13 29.699 . . . . . . . . 147 E CB . 50392 1 643 . 1 . 1 147 147 GLU N N 15 123.195 . . . . . . . . 147 E N . 50392 1 644 . 1 . 1 148 148 PRO C C 13 176.815 . . . . . . . . 148 P C . 50392 1 645 . 1 . 1 148 148 PRO CA C 13 63.325 . . . . . . . . 148 P CA . 50392 1 646 . 1 . 1 148 148 PRO CB C 13 32.167 . . . . . . . . 148 P CB . 50392 1 647 . 1 . 1 149 149 MET H H 1 8.450 . . . . . . . . 149 M H . 50392 1 648 . 1 . 1 149 149 MET C C 13 176.072 . . . . . . . . 149 M C . 50392 1 649 . 1 . 1 149 149 MET CA C 13 55.502 . . . . . . . . 149 M CA . 50392 1 650 . 1 . 1 149 149 MET CB C 13 33.005 . . . . . . . . 149 M CB . 50392 1 651 . 1 . 1 149 149 MET N N 15 120.415 . . . . . . . . 149 M N . 50392 1 652 . 1 . 1 150 150 LEU H H 1 8.278 . . . . . . . . 150 L H . 50392 1 653 . 1 . 1 150 150 LEU C C 13 176.345 . . . . . . . . 150 L C . 50392 1 654 . 1 . 1 150 150 LEU CA C 13 55.270 . . . . . . . . 150 L CA . 50392 1 655 . 1 . 1 150 150 LEU CB C 13 42.305 . . . . . . . . 150 L CB . 50392 1 656 . 1 . 1 150 150 LEU N N 15 124.400 . . . . . . . . 150 L N . 50392 1 657 . 1 . 1 151 151 GLN H H 1 7.900 . . . . . . . . 151 Q H . 50392 1 658 . 1 . 1 151 151 GLN C C 13 180.456 . . . . . . . . 151 Q C . 50392 1 659 . 1 . 1 151 151 GLN CA C 13 57.331 . . . . . . . . 151 Q CA . 50392 1 660 . 1 . 1 151 151 GLN CB C 13 30.637 . . . . . . . . 151 Q CB . 50392 1 661 . 1 . 1 151 151 GLN N N 15 126.015 . . . . . . . . 151 Q N . 50392 1 stop_ save_