data_51061 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51061 _Entry.Title ; mMLKL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-19 _Entry.Accession_date 2021-08-19 _Entry.Last_release_date 2021-08-19 _Entry.Original_release_date 2021-08-19 _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 mMLKL(1-158) _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 Ashish Sethi . . . . 51061 2 Chris Horne . . . . 51061 3 'Paul R.' Gooley . . . . 51061 4 James Murphy . . . . 51061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 51061 '15N chemical shifts' 151 51061 '1H chemical shifts' 151 51061 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 . . 2022-09-23 2021-08-19 update BMRB 'update entry citation' 51061 1 . . 2022-03-08 2021-08-19 original author 'original release' 51061 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51061 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35264780 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Membrane permeabilization is mediated by distinct epitopes in mouse and human orthologs of the necroptosis effector, MLKL ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Death Diff.' _Citation.Journal_name_full 'Cell death and differentiation' _Citation.Journal_volume 29 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-5403 _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 1804 _Citation.Page_last 1815 _Citation.Year 2022 _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 Ashish Sethi A. . . . 51061 1 2 Christopher Horne C. R. . . 51061 1 3 Cheree Fitzgibbon C. . . . 51061 1 4 Karyn Wilde K. . . . 51061 1 5 Katherine Davies K. A. . . 51061 1 6 Sarah Garnish S. E. . . 51061 1 7 Annette Jacobsen A. V. . . 51061 1 8 Andre Samson A. L. . . 51061 1 9 Joanne Hildebrand J. M. . . 51061 1 10 Ahmad Wardak A. . . . 51061 1 11 Peter Czabotar P. E. . . 51061 1 12 Emma Petrie E. J. . . 51061 1 13 Paul Gooley P. R. . . 51061 1 14 James Murphy J. M. . . 51061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51061 _Assembly.ID 1 _Assembly.Name 'mMLKL monomer' _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 'mMLKL monomer' 1 $entity_1 . . yes native no no . . . 51061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51061 _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 ; GAMGSMDKLGQIIKLGQLIY EQCEKMKYCRKQCQRLGNRV HGLLQPLQRLQAQGKKNLPD DITAALGRFDEVLKEANQQI EKFSKKSHIWKFVSVGNDKI LFHEVNEKLRDVWEELLLLL QVYHWNTVSDVSQPASWQQE DRQDAEEDGNENMKVILMQL QIS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free disulfide and other bound' _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 . GLY . 51061 1 2 . ALA . 51061 1 3 . MET . 51061 1 4 . GLY . 51061 1 5 . SER . 51061 1 6 . MET . 51061 1 7 . ASP . 51061 1 8 . LYS . 51061 1 9 . LEU . 51061 1 10 . GLY . 51061 1 11 . GLN . 51061 1 12 . ILE . 51061 1 13 . ILE . 51061 1 14 . LYS . 51061 1 15 . LEU . 51061 1 16 . GLY . 51061 1 17 . GLN . 51061 1 18 . LEU . 51061 1 19 . ILE . 51061 1 20 . TYR . 51061 1 21 . GLU . 51061 1 22 . GLN . 51061 1 23 . CYS . 51061 1 24 . GLU . 51061 1 25 . LYS . 51061 1 26 . MET . 51061 1 27 . LYS . 51061 1 28 . TYR . 51061 1 29 . CYS . 51061 1 30 . ARG . 51061 1 31 . LYS . 51061 1 32 . GLN . 51061 1 33 . CYS . 51061 1 34 . GLN . 51061 1 35 . ARG . 51061 1 36 . LEU . 51061 1 37 . GLY . 51061 1 38 . ASN . 51061 1 39 . ARG . 51061 1 40 . VAL . 51061 1 41 . HIS . 51061 1 42 . GLY . 51061 1 43 . LEU . 51061 1 44 . LEU . 51061 1 45 . GLN . 51061 1 46 . PRO . 51061 1 47 . LEU . 51061 1 48 . GLN . 51061 1 49 . ARG . 51061 1 50 . LEU . 51061 1 51 . GLN . 51061 1 52 . ALA . 51061 1 53 . GLN . 51061 1 54 . GLY . 51061 1 55 . LYS . 51061 1 56 . LYS . 51061 1 57 . ASN . 51061 1 58 . LEU . 51061 1 59 . PRO . 51061 1 60 . ASP . 51061 1 61 . ASP . 51061 1 62 . ILE . 51061 1 63 . THR . 51061 1 64 . ALA . 51061 1 65 . ALA . 51061 1 66 . LEU . 51061 1 67 . GLY . 51061 1 68 . ARG . 51061 1 69 . PHE . 51061 1 70 . ASP . 51061 1 71 . GLU . 51061 1 72 . VAL . 51061 1 73 . LEU . 51061 1 74 . LYS . 51061 1 75 . GLU . 51061 1 76 . ALA . 51061 1 77 . ASN . 51061 1 78 . GLN . 51061 1 79 . GLN . 51061 1 80 . ILE . 51061 1 81 . GLU . 51061 1 82 . LYS . 51061 1 83 . PHE . 51061 1 84 . SER . 51061 1 85 . LYS . 51061 1 86 . LYS . 51061 1 87 . SER . 51061 1 88 . HIS . 51061 1 89 . ILE . 51061 1 90 . TRP . 51061 1 91 . LYS . 51061 1 92 . PHE . 51061 1 93 . VAL . 51061 1 94 . SER . 51061 1 95 . VAL . 51061 1 96 . GLY . 51061 1 97 . ASN . 51061 1 98 . ASP . 51061 1 99 . LYS . 51061 1 100 . ILE . 51061 1 101 . LEU . 51061 1 102 . PHE . 51061 1 103 . HIS . 51061 1 104 . GLU . 51061 1 105 . VAL . 51061 1 106 . ASN . 51061 1 107 . GLU . 51061 1 108 . LYS . 51061 1 109 . LEU . 51061 1 110 . ARG . 51061 1 111 . ASP . 51061 1 112 . VAL . 51061 1 113 . TRP . 51061 1 114 . GLU . 51061 1 115 . GLU . 51061 1 116 . LEU . 51061 1 117 . LEU . 51061 1 118 . LEU . 51061 1 119 . LEU . 51061 1 120 . LEU . 51061 1 121 . GLN . 51061 1 122 . VAL . 51061 1 123 . TYR . 51061 1 124 . HIS . 51061 1 125 . TRP . 51061 1 126 . ASN . 51061 1 127 . THR . 51061 1 128 . VAL . 51061 1 129 . SER . 51061 1 130 . ASP . 51061 1 131 . VAL . 51061 1 132 . SER . 51061 1 133 . GLN . 51061 1 134 . PRO . 51061 1 135 . ALA . 51061 1 136 . SER . 51061 1 137 . TRP . 51061 1 138 . GLN . 51061 1 139 . GLN . 51061 1 140 . GLU . 51061 1 141 . ASP . 51061 1 142 . ARG . 51061 1 143 . GLN . 51061 1 144 . ASP . 51061 1 145 . ALA . 51061 1 146 . GLU . 51061 1 147 . GLU . 51061 1 148 . ASP . 51061 1 149 . GLY . 51061 1 150 . ASN . 51061 1 151 . GLU . 51061 1 152 . ASN . 51061 1 153 . MET . 51061 1 154 . LYS . 51061 1 155 . VAL . 51061 1 156 . ILE . 51061 1 157 . LEU . 51061 1 158 . MET . 51061 1 159 . GLN . 51061 1 160 . LEU . 51061 1 161 . GLN . 51061 1 162 . ILE . 51061 1 163 . SER . 51061 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 . GLY 1 1 51061 1 . ALA 2 2 51061 1 . MET 3 3 51061 1 . GLY 4 4 51061 1 . SER 5 5 51061 1 . MET 6 6 51061 1 . ASP 7 7 51061 1 . LYS 8 8 51061 1 . LEU 9 9 51061 1 . GLY 10 10 51061 1 . GLN 11 11 51061 1 . ILE 12 12 51061 1 . ILE 13 13 51061 1 . LYS 14 14 51061 1 . LEU 15 15 51061 1 . GLY 16 16 51061 1 . GLN 17 17 51061 1 . LEU 18 18 51061 1 . ILE 19 19 51061 1 . TYR 20 20 51061 1 . GLU 21 21 51061 1 . GLN 22 22 51061 1 . CYS 23 23 51061 1 . GLU 24 24 51061 1 . LYS 25 25 51061 1 . MET 26 26 51061 1 . LYS 27 27 51061 1 . TYR 28 28 51061 1 . CYS 29 29 51061 1 . ARG 30 30 51061 1 . LYS 31 31 51061 1 . GLN 32 32 51061 1 . CYS 33 33 51061 1 . GLN 34 34 51061 1 . ARG 35 35 51061 1 . LEU 36 36 51061 1 . GLY 37 37 51061 1 . ASN 38 38 51061 1 . ARG 39 39 51061 1 . VAL 40 40 51061 1 . HIS 41 41 51061 1 . GLY 42 42 51061 1 . LEU 43 43 51061 1 . LEU 44 44 51061 1 . GLN 45 45 51061 1 . PRO 46 46 51061 1 . LEU 47 47 51061 1 . GLN 48 48 51061 1 . ARG 49 49 51061 1 . LEU 50 50 51061 1 . GLN 51 51 51061 1 . ALA 52 52 51061 1 . GLN 53 53 51061 1 . GLY 54 54 51061 1 . LYS 55 55 51061 1 . LYS 56 56 51061 1 . ASN 57 57 51061 1 . LEU 58 58 51061 1 . PRO 59 59 51061 1 . ASP 60 60 51061 1 . ASP 61 61 51061 1 . ILE 62 62 51061 1 . THR 63 63 51061 1 . ALA 64 64 51061 1 . ALA 65 65 51061 1 . LEU 66 66 51061 1 . GLY 67 67 51061 1 . ARG 68 68 51061 1 . PHE 69 69 51061 1 . ASP 70 70 51061 1 . GLU 71 71 51061 1 . VAL 72 72 51061 1 . LEU 73 73 51061 1 . LYS 74 74 51061 1 . GLU 75 75 51061 1 . ALA 76 76 51061 1 . ASN 77 77 51061 1 . GLN 78 78 51061 1 . GLN 79 79 51061 1 . ILE 80 80 51061 1 . GLU 81 81 51061 1 . LYS 82 82 51061 1 . PHE 83 83 51061 1 . SER 84 84 51061 1 . LYS 85 85 51061 1 . LYS 86 86 51061 1 . SER 87 87 51061 1 . HIS 88 88 51061 1 . ILE 89 89 51061 1 . TRP 90 90 51061 1 . LYS 91 91 51061 1 . PHE 92 92 51061 1 . VAL 93 93 51061 1 . SER 94 94 51061 1 . VAL 95 95 51061 1 . GLY 96 96 51061 1 . ASN 97 97 51061 1 . ASP 98 98 51061 1 . LYS 99 99 51061 1 . ILE 100 100 51061 1 . LEU 101 101 51061 1 . PHE 102 102 51061 1 . HIS 103 103 51061 1 . GLU 104 104 51061 1 . VAL 105 105 51061 1 . ASN 106 106 51061 1 . GLU 107 107 51061 1 . LYS 108 108 51061 1 . LEU 109 109 51061 1 . ARG 110 110 51061 1 . ASP 111 111 51061 1 . VAL 112 112 51061 1 . TRP 113 113 51061 1 . GLU 114 114 51061 1 . GLU 115 115 51061 1 . LEU 116 116 51061 1 . LEU 117 117 51061 1 . LEU 118 118 51061 1 . LEU 119 119 51061 1 . LEU 120 120 51061 1 . GLN 121 121 51061 1 . VAL 122 122 51061 1 . TYR 123 123 51061 1 . HIS 124 124 51061 1 . TRP 125 125 51061 1 . ASN 126 126 51061 1 . THR 127 127 51061 1 . VAL 128 128 51061 1 . SER 129 129 51061 1 . ASP 130 130 51061 1 . VAL 131 131 51061 1 . SER 132 132 51061 1 . GLN 133 133 51061 1 . PRO 134 134 51061 1 . ALA 135 135 51061 1 . SER 136 136 51061 1 . TRP 137 137 51061 1 . GLN 138 138 51061 1 . GLN 139 139 51061 1 . GLU 140 140 51061 1 . ASP 141 141 51061 1 . ARG 142 142 51061 1 . GLN 143 143 51061 1 . ASP 144 144 51061 1 . ALA 145 145 51061 1 . GLU 146 146 51061 1 . GLU 147 147 51061 1 . ASP 148 148 51061 1 . GLY 149 149 51061 1 . ASN 150 150 51061 1 . GLU 151 151 51061 1 . ASN 152 152 51061 1 . MET 153 153 51061 1 . LYS 154 154 51061 1 . VAL 155 155 51061 1 . ILE 156 156 51061 1 . LEU 157 157 51061 1 . MET 158 158 51061 1 . GLN 159 159 51061 1 . LEU 160 160 51061 1 . GLN 161 161 51061 1 . ILE 162 162 51061 1 . SER 163 163 51061 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 51061 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 51061 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 51061 _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 . . 'pETNusH Htb' . . . 51061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51061 _Sample.ID 1 _Sample.Name mMLKL _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 mMLKL(1-158) '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 352 . . uM . . . . 51061 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51061 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51061 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51061 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51061 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 51061 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR sample' _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' 100 . mM 51061 1 pH 6.8 . pH 51061 1 pressure 1 . atm 51061 1 temperature 298 . K 51061 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51061 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51061 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51061 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51061 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51061 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51061 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 51061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance IIIHD with TCI cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51061 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51061 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51061 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51061 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51061 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51061 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51061 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 51061 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H chemical shift reference' _Chem_shift_reference.Details ; Other row for proton reference: water protons ppm 4.7629 internal direct 1.014 ; 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 na 'methyl carbons' . . . . ppm 45.735 internal indirect 0.2514 . . . . . 51061 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51061 1 N 15 na nitrogen . . . . ppm 119.588 internal indirect 0.1013 . . . . . 51061 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 51061 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name data-mlkl-1.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51061 1 2 '3D HNCO' . . . 51061 1 3 '3D HNCA' . . . 51061 1 4 '3D HNCACB' . . . 51061 1 5 '3D HN(CO)CACB' . . . 51061 1 6 '3D HN(CO)CA' . . . 51061 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 . . 51061 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 ALA CA C 13 49.445 . . . . . . . . 2 A CA . 51061 1 2 . 1 . 1 2 2 ALA CB C 13 15.874 . . . . . . . . 2 A CB . 51061 1 3 . 1 . 1 3 3 MET H H 1 8.432 . . . . . . . . 3 M H . 51061 1 4 . 1 . 1 3 3 MET CA C 13 52.565 . . . . . . . . 3 M CA . 51061 1 5 . 1 . 1 3 3 MET CB C 13 29.683 . . . . . . . . 3 M CB . 51061 1 6 . 1 . 1 3 3 MET N N 15 120.734 . . . . . . . . 3 M N . 51061 1 7 . 1 . 1 4 4 GLY H H 1 8.538 . . . . . . . . 4 G H . 51061 1 8 . 1 . 1 4 4 GLY CA C 13 42.321 . . . . . . . . 4 G CA . 51061 1 9 . 1 . 1 4 4 GLY N N 15 111.318 . . . . . . . . 4 G N . 51061 1 10 . 1 . 1 5 5 SER H H 1 8.314 . . . . . . . . 5 S H . 51061 1 11 . 1 . 1 5 5 SER CA C 13 57.094 . . . . . . . . 5 S CA . 51061 1 12 . 1 . 1 5 5 SER CB C 13 60.701 . . . . . . . . 5 S CB . 51061 1 13 . 1 . 1 5 5 SER N N 15 117.067 . . . . . . . . 5 S N . 51061 1 14 . 1 . 1 6 6 MET H H 1 8.341 . . . . . . . . 6 M H . 51061 1 15 . 1 . 1 6 6 MET CA C 13 53.159 . . . . . . . . 6 M CA . 51061 1 16 . 1 . 1 6 6 MET CB C 13 28.351 . . . . . . . . 6 M CB . 51061 1 17 . 1 . 1 6 6 MET N N 15 121.286 . . . . . . . . 6 M N . 51061 1 18 . 1 . 1 7 7 ASP H H 1 7.950 . . . . . . . . 7 D H . 51061 1 19 . 1 . 1 7 7 ASP CA C 13 52.350 . . . . . . . . 7 D CA . 51061 1 20 . 1 . 1 7 7 ASP CB C 13 37.391 . . . . . . . . 7 D CB . 51061 1 21 . 1 . 1 7 7 ASP N N 15 122.563 . . . . . . . . 7 D N . 51061 1 22 . 1 . 1 8 8 LYS H H 1 8.093 . . . . . . . . 8 K H . 51061 1 23 . 1 . 1 8 8 LYS CA C 13 55.561 . . . . . . . . 8 K CA . 51061 1 24 . 1 . 1 8 8 LYS CB C 13 28.156 . . . . . . . . 8 K CB . 51061 1 25 . 1 . 1 8 8 LYS N N 15 122.464 . . . . . . . . 8 K N . 51061 1 26 . 1 . 1 9 9 LEU H H 1 8.072 . . . . . . . . 9 L H . 51061 1 27 . 1 . 1 9 9 LEU CA C 13 55.194 . . . . . . . . 9 L CA . 51061 1 28 . 1 . 1 9 9 LEU CB C 13 37.673 . . . . . . . . 9 L CB . 51061 1 29 . 1 . 1 9 9 LEU N N 15 119.212 . . . . . . . . 9 L N . 51061 1 30 . 1 . 1 10 10 GLY H H 1 7.988 . . . . . . . . 10 G H . 51061 1 31 . 1 . 1 10 10 GLY CA C 13 44.242 . . . . . . . . 10 G CA . 51061 1 32 . 1 . 1 10 10 GLY N N 15 105.349 . . . . . . . . 10 G N . 51061 1 33 . 1 . 1 11 11 GLN H H 1 7.828 . . . . . . . . 11 Q H . 51061 1 34 . 1 . 1 11 11 GLN CA C 13 55.679 . . . . . . . . 11 Q CA . 51061 1 35 . 1 . 1 11 11 GLN CB C 13 24.943 . . . . . . . . 11 Q CB . 51061 1 36 . 1 . 1 11 11 GLN N N 15 121.493 . . . . . . . . 11 Q N . 51061 1 37 . 1 . 1 12 12 ILE H H 1 7.993 . . . . . . . . 12 I H . 51061 1 38 . 1 . 1 12 12 ILE CA C 13 61.854 . . . . . . . . 12 I CA . 51061 1 39 . 1 . 1 12 12 ILE CB C 13 34.496 . . . . . . . . 12 I CB . 51061 1 40 . 1 . 1 12 12 ILE N N 15 123.003 . . . . . . . . 12 I N . 51061 1 41 . 1 . 1 13 13 ILE H H 1 8.277 . . . . . . . . 13 I H . 51061 1 42 . 1 . 1 13 13 ILE CA C 13 58.992 . . . . . . . . 13 I CA . 51061 1 43 . 1 . 1 13 13 ILE CB C 13 34.666 . . . . . . . . 13 I CB . 51061 1 44 . 1 . 1 13 13 ILE N N 15 121.154 . . . . . . . . 13 I N . 51061 1 45 . 1 . 1 14 14 LYS H H 1 7.579 . . . . . . . . 14 K H . 51061 1 46 . 1 . 1 14 14 LYS CA C 13 56.330 . . . . . . . . 14 K CA . 51061 1 47 . 1 . 1 14 14 LYS CB C 13 28.809 . . . . . . . . 14 K CB . 51061 1 48 . 1 . 1 14 14 LYS N N 15 119.038 . . . . . . . . 14 K N . 51061 1 49 . 1 . 1 15 15 LEU H H 1 7.799 . . . . . . . . 15 L H . 51061 1 50 . 1 . 1 15 15 LEU CA C 13 54.436 . . . . . . . . 15 L CA . 51061 1 51 . 1 . 1 15 15 LEU CB C 13 37.617 . . . . . . . . 15 L CB . 51061 1 52 . 1 . 1 15 15 LEU N N 15 121.801 . . . . . . . . 15 L N . 51061 1 53 . 1 . 1 16 16 GLY H H 1 8.806 . . . . . . . . 16 G H . 51061 1 54 . 1 . 1 16 16 GLY CA C 13 44.655 . . . . . . . . 16 G CA . 51061 1 55 . 1 . 1 16 16 GLY N N 15 106.775 . . . . . . . . 16 G N . 51061 1 56 . 1 . 1 17 17 GLN H H 1 8.171 . . . . . . . . 17 Q H . 51061 1 57 . 1 . 1 17 17 GLN CA C 13 55.840 . . . . . . . . 17 Q CA . 51061 1 58 . 1 . 1 17 17 GLN CB C 13 24.127 . . . . . . . . 17 Q CB . 51061 1 59 . 1 . 1 17 17 GLN N N 15 121.518 . . . . . . . . 17 Q N . 51061 1 60 . 1 . 1 18 18 LEU H H 1 7.677 . . . . . . . . 18 L H . 51061 1 61 . 1 . 1 18 18 LEU CA C 13 55.079 . . . . . . . . 18 L CA . 51061 1 62 . 1 . 1 18 18 LEU CB C 13 37.810 . . . . . . . . 18 L CB . 51061 1 63 . 1 . 1 18 18 LEU N N 15 122.258 . . . . . . . . 18 L N . 51061 1 64 . 1 . 1 19 19 ILE H H 1 7.681 . . . . . . . . 19 I H . 51061 1 65 . 1 . 1 19 19 ILE CA C 13 61.850 . . . . . . . . 19 I CA . 51061 1 66 . 1 . 1 19 19 ILE CB C 13 39.007 . . . . . . . . 19 I CB . 51061 1 67 . 1 . 1 19 19 ILE N N 15 119.483 . . . . . . . . 19 I N . 51061 1 68 . 1 . 1 20 20 TYR H H 1 7.826 . . . . . . . . 20 Y H . 51061 1 69 . 1 . 1 20 20 TYR CA C 13 60.321 . . . . . . . . 20 Y CA . 51061 1 70 . 1 . 1 20 20 TYR CB C 13 34.551 . . . . . . . . 20 Y CB . 51061 1 71 . 1 . 1 20 20 TYR N N 15 122.010 . . . . . . . . 20 Y N . 51061 1 72 . 1 . 1 21 21 GLU H H 1 7.630 . . . . . . . . 21 E H . 51061 1 73 . 1 . 1 21 21 GLU CA C 13 56.458 . . . . . . . . 21 E CA . 51061 1 74 . 1 . 1 21 21 GLU CB C 13 33.990 . . . . . . . . 21 E CB . 51061 1 75 . 1 . 1 21 21 GLU N N 15 121.011 . . . . . . . . 21 E N . 51061 1 76 . 1 . 1 22 22 GLN H H 1 7.626 . . . . . . . . 22 Q H . 51061 1 77 . 1 . 1 22 22 GLN N N 15 120.937 . . . . . . . . 22 Q N . 51061 1 78 . 1 . 1 23 23 CYS H H 1 8.138 . . . . . . . . 23 C H . 51061 1 79 . 1 . 1 23 23 CYS CA C 13 56.082 . . . . . . . . 23 C CA . 51061 1 80 . 1 . 1 23 23 CYS CB C 13 26.011 . . . . . . . . 23 C CB . 51061 1 81 . 1 . 1 23 23 CYS N N 15 118.905 . . . . . . . . 23 C N . 51061 1 82 . 1 . 1 24 24 GLU H H 1 7.993 . . . . . . . . 24 E H . 51061 1 83 . 1 . 1 24 24 GLU CA C 13 55.081 . . . . . . . . 24 E CA . 51061 1 84 . 1 . 1 24 24 GLU N N 15 123.315 . . . . . . . . 24 E N . 51061 1 85 . 1 . 1 25 25 LYS H H 1 6.941 . . . . . . . . 25 K H . 51061 1 86 . 1 . 1 25 25 LYS CA C 13 52.812 . . . . . . . . 25 K CA . 51061 1 87 . 1 . 1 25 25 LYS CB C 13 29.854 . . . . . . . . 25 K CB . 51061 1 88 . 1 . 1 25 25 LYS N N 15 115.466 . . . . . . . . 25 K N . 51061 1 89 . 1 . 1 26 26 MET H H 1 6.894 . . . . . . . . 26 M H . 51061 1 90 . 1 . 1 26 26 MET CA C 13 52.795 . . . . . . . . 26 M CA . 51061 1 91 . 1 . 1 26 26 MET CB C 13 29.575 . . . . . . . . 26 M CB . 51061 1 92 . 1 . 1 26 26 MET N N 15 120.568 . . . . . . . . 26 M N . 51061 1 93 . 1 . 1 27 27 LYS H H 1 8.540 . . . . . . . . 27 K H . 51061 1 94 . 1 . 1 27 27 LYS CA C 13 53.205 . . . . . . . . 27 K CA . 51061 1 95 . 1 . 1 27 27 LYS CB C 13 29.783 . . . . . . . . 27 K CB . 51061 1 96 . 1 . 1 27 27 LYS N N 15 121.528 . . . . . . . . 27 K N . 51061 1 97 . 1 . 1 28 28 TYR H H 1 7.129 . . . . . . . . 28 Y H . 51061 1 98 . 1 . 1 28 28 TYR CA C 13 53.089 . . . . . . . . 28 Y CA . 51061 1 99 . 1 . 1 28 28 TYR CB C 13 37.364 . . . . . . . . 28 Y CB . 51061 1 100 . 1 . 1 28 28 TYR N N 15 117.933 . . . . . . . . 28 Y N . 51061 1 101 . 1 . 1 29 29 CYS H H 1 8.882 . . . . . . . . 29 C H . 51061 1 102 . 1 . 1 29 29 CYS CA C 13 57.868 . . . . . . . . 29 C CA . 51061 1 103 . 1 . 1 29 29 CYS CB C 13 26.983 . . . . . . . . 29 C CB . 51061 1 104 . 1 . 1 29 29 CYS N N 15 115.838 . . . . . . . . 29 C N . 51061 1 105 . 1 . 1 30 30 ARG H H 1 7.843 . . . . . . . . 30 R H . 51061 1 106 . 1 . 1 30 30 ARG CA C 13 57.170 . . . . . . . . 30 R CA . 51061 1 107 . 1 . 1 30 30 ARG N N 15 117.208 . . . . . . . . 30 R N . 51061 1 108 . 1 . 1 31 31 LYS H H 1 8.377 . . . . . . . . 31 K H . 51061 1 109 . 1 . 1 31 31 LYS CA C 13 62.709 . . . . . . . . 31 K CA . 51061 1 110 . 1 . 1 31 31 LYS CB C 13 27.977 . . . . . . . . 31 K CB . 51061 1 111 . 1 . 1 31 31 LYS N N 15 118.629 . . . . . . . . 31 K N . 51061 1 112 . 1 . 1 32 32 GLN H H 1 8.698 . . . . . . . . 32 Q H . 51061 1 113 . 1 . 1 32 32 GLN CA C 13 56.547 . . . . . . . . 32 Q CA . 51061 1 114 . 1 . 1 32 32 GLN CB C 13 25.746 . . . . . . . . 32 Q CB . 51061 1 115 . 1 . 1 32 32 GLN N N 15 117.357 . . . . . . . . 32 Q N . 51061 1 116 . 1 . 1 33 33 CYS H H 1 8.657 . . . . . . . . 33 C H . 51061 1 117 . 1 . 1 33 33 CYS CA C 13 61.297 . . . . . . . . 33 C CA . 51061 1 118 . 1 . 1 33 33 CYS CB C 13 23.344 . . . . . . . . 33 C CB . 51061 1 119 . 1 . 1 33 33 CYS N N 15 119.825 . . . . . . . . 33 C N . 51061 1 120 . 1 . 1 34 34 GLN H H 1 8.741 . . . . . . . . 34 Q H . 51061 1 121 . 1 . 1 34 34 GLN CA C 13 55.495 . . . . . . . . 34 Q CA . 51061 1 122 . 1 . 1 34 34 GLN N N 15 120.462 . . . . . . . . 34 Q N . 51061 1 123 . 1 . 1 35 35 ARG H H 1 9.360 . . . . . . . . 35 R H . 51061 1 124 . 1 . 1 35 35 ARG CA C 13 56.430 . . . . . . . . 35 R CA . 51061 1 125 . 1 . 1 35 35 ARG CB C 13 28.140 . . . . . . . . 35 R CB . 51061 1 126 . 1 . 1 35 35 ARG N N 15 121.463 . . . . . . . . 35 R N . 51061 1 127 . 1 . 1 36 36 LEU H H 1 8.996 . . . . . . . . 36 L H . 51061 1 128 . 1 . 1 36 36 LEU CA C 13 54.218 . . . . . . . . 36 L CA . 51061 1 129 . 1 . 1 36 36 LEU CB C 13 37.082 . . . . . . . . 36 L CB . 51061 1 130 . 1 . 1 36 36 LEU N N 15 122.004 . . . . . . . . 36 L N . 51061 1 131 . 1 . 1 37 37 GLY H H 1 8.076 . . . . . . . . 37 G H . 51061 1 132 . 1 . 1 37 37 GLY CA C 13 44.825 . . . . . . . . 37 G CA . 51061 1 133 . 1 . 1 37 37 GLY N N 15 105.631 . . . . . . . . 37 G N . 51061 1 134 . 1 . 1 38 38 ASN H H 1 7.127 . . . . . . . . 38 N H . 51061 1 135 . 1 . 1 38 38 ASN CA C 13 55.058 . . . . . . . . 38 N CA . 51061 1 136 . 1 . 1 38 38 ASN CB C 13 36.342 . . . . . . . . 38 N CB . 51061 1 137 . 1 . 1 38 38 ASN N N 15 120.921 . . . . . . . . 38 N N . 51061 1 138 . 1 . 1 39 39 ARG H H 1 7.560 . . . . . . . . 39 R H . 51061 1 139 . 1 . 1 39 39 ARG CA C 13 53.603 . . . . . . . . 39 R CA . 51061 1 140 . 1 . 1 39 39 ARG CB C 13 29.087 . . . . . . . . 39 R CB . 51061 1 141 . 1 . 1 39 39 ARG N N 15 121.138 . . . . . . . . 39 R N . 51061 1 142 . 1 . 1 40 40 VAL H H 1 7.589 . . . . . . . . 40 V H . 51061 1 143 . 1 . 1 40 40 VAL CA C 13 62.261 . . . . . . . . 40 V CA . 51061 1 144 . 1 . 1 40 40 VAL CB C 13 32.719 . . . . . . . . 40 V CB . 51061 1 145 . 1 . 1 40 40 VAL N N 15 121.072 . . . . . . . . 40 V N . 51061 1 146 . 1 . 1 41 41 HIS H H 1 7.084 . . . . . . . . 41 H H . 51061 1 147 . 1 . 1 41 41 HIS CA C 13 55.746 . . . . . . . . 41 H CA . 51061 1 148 . 1 . 1 41 41 HIS CB C 13 29.670 . . . . . . . . 41 H CB . 51061 1 149 . 1 . 1 41 41 HIS N N 15 118.932 . . . . . . . . 41 H N . 51061 1 150 . 1 . 1 42 42 GLY H H 1 8.201 . . . . . . . . 42 G H . 51061 1 151 . 1 . 1 42 42 GLY CA C 13 43.967 . . . . . . . . 42 G CA . 51061 1 152 . 1 . 1 42 42 GLY N N 15 106.776 . . . . . . . . 42 G N . 51061 1 153 . 1 . 1 43 43 LEU H H 1 7.913 . . . . . . . . 43 L H . 51061 1 154 . 1 . 1 43 43 LEU CA C 13 54.749 . . . . . . . . 43 L CA . 51061 1 155 . 1 . 1 43 43 LEU CB C 13 34.340 . . . . . . . . 43 L CB . 51061 1 156 . 1 . 1 43 43 LEU N N 15 122.111 . . . . . . . . 43 L N . 51061 1 157 . 1 . 1 44 44 LEU H H 1 7.602 . . . . . . . . 44 L H . 51061 1 158 . 1 . 1 44 44 LEU CA C 13 53.598 . . . . . . . . 44 L CA . 51061 1 159 . 1 . 1 44 44 LEU CB C 13 38.253 . . . . . . . . 44 L CB . 51061 1 160 . 1 . 1 44 44 LEU N N 15 113.799 . . . . . . . . 44 L N . 51061 1 161 . 1 . 1 45 45 GLN H H 1 7.371 . . . . . . . . 45 Q H . 51061 1 162 . 1 . 1 45 45 GLN CA C 13 57.811 . . . . . . . . 45 Q CA . 51061 1 163 . 1 . 1 45 45 GLN CB C 13 30.382 . . . . . . . . 45 Q CB . 51061 1 164 . 1 . 1 45 45 GLN N N 15 117.196 . . . . . . . . 45 Q N . 51061 1 165 . 1 . 1 47 47 LEU H H 1 7.936 . . . . . . . . 47 L H . 51061 1 166 . 1 . 1 47 47 LEU CA C 13 56.311 . . . . . . . . 47 L CA . 51061 1 167 . 1 . 1 47 47 LEU CB C 13 43.098 . . . . . . . . 47 L CB . 51061 1 168 . 1 . 1 47 47 LEU N N 15 114.653 . . . . . . . . 47 L N . 51061 1 169 . 1 . 1 48 48 GLN H H 1 7.561 . . . . . . . . 48 Q H . 51061 1 170 . 1 . 1 48 48 GLN CA C 13 57.104 . . . . . . . . 48 Q CA . 51061 1 171 . 1 . 1 48 48 GLN CB C 13 28.475 . . . . . . . . 48 Q CB . 51061 1 172 . 1 . 1 48 48 GLN N N 15 119.519 . . . . . . . . 48 Q N . 51061 1 173 . 1 . 1 49 49 ARG H H 1 8.070 . . . . . . . . 49 R H . 51061 1 174 . 1 . 1 49 49 ARG CA C 13 55.276 . . . . . . . . 49 R CA . 51061 1 175 . 1 . 1 49 49 ARG N N 15 119.189 . . . . . . . . 49 R N . 51061 1 176 . 1 . 1 51 51 GLN H H 1 7.996 . . . . . . . . 51 Q H . 51061 1 177 . 1 . 1 51 51 GLN CA C 13 55.567 . . . . . . . . 51 Q CA . 51061 1 178 . 1 . 1 51 51 GLN CB C 13 25.656 . . . . . . . . 51 Q CB . 51061 1 179 . 1 . 1 51 51 GLN N N 15 120.376 . . . . . . . . 51 Q N . 51061 1 180 . 1 . 1 52 52 ALA H H 1 7.651 . . . . . . . . 52 A H . 51061 1 181 . 1 . 1 52 52 ALA CA C 13 50.630 . . . . . . . . 52 A CA . 51061 1 182 . 1 . 1 52 52 ALA CB C 13 14.833 . . . . . . . . 52 A CB . 51061 1 183 . 1 . 1 52 52 ALA N N 15 121.224 . . . . . . . . 52 A N . 51061 1 184 . 1 . 1 53 53 GLN H H 1 7.449 . . . . . . . . 53 Q H . 51061 1 185 . 1 . 1 53 53 GLN CA C 13 53.597 . . . . . . . . 53 Q CA . 51061 1 186 . 1 . 1 53 53 GLN CB C 13 25.424 . . . . . . . . 53 Q CB . 51061 1 187 . 1 . 1 53 53 GLN N N 15 115.892 . . . . . . . . 53 Q N . 51061 1 188 . 1 . 1 54 54 GLY H H 1 7.609 . . . . . . . . 54 G H . 51061 1 189 . 1 . 1 54 54 GLY CA C 13 43.107 . . . . . . . . 54 G CA . 51061 1 190 . 1 . 1 54 54 GLY N N 15 107.220 . . . . . . . . 54 G N . 51061 1 191 . 1 . 1 55 55 LYS H H 1 7.884 . . . . . . . . 55 K H . 51061 1 192 . 1 . 1 55 55 LYS CA C 13 53.013 . . . . . . . . 55 K CA . 51061 1 193 . 1 . 1 55 55 LYS CB C 13 28.358 . . . . . . . . 55 K CB . 51061 1 194 . 1 . 1 55 55 LYS N N 15 120.181 . . . . . . . . 55 K N . 51061 1 195 . 1 . 1 58 58 LEU H H 1 8.082 . . . . . . . . 58 L H . 51061 1 196 . 1 . 1 58 58 LEU CA C 13 56.500 . . . . . . . . 58 L CA . 51061 1 197 . 1 . 1 58 58 LEU N N 15 121.684 . . . . . . . . 58 L N . 51061 1 198 . 1 . 1 60 60 ASP H H 1 8.800 . . . . . . . . 60 D H . 51061 1 199 . 1 . 1 60 60 ASP CA C 13 59.510 . . . . . . . . 60 D CA . 51061 1 200 . 1 . 1 60 60 ASP CB C 13 36.855 . . . . . . . . 60 D CB . 51061 1 201 . 1 . 1 60 60 ASP N N 15 123.599 . . . . . . . . 60 D N . 51061 1 202 . 1 . 1 61 61 ASP H H 1 8.188 . . . . . . . . 61 D H . 51061 1 203 . 1 . 1 61 61 ASP N N 15 122.436 . . . . . . . . 61 D N . 51061 1 204 . 1 . 1 62 62 ILE H H 1 7.188 . . . . . . . . 62 I H . 51061 1 205 . 1 . 1 62 62 ILE CA C 13 58.016 . . . . . . . . 62 I CA . 51061 1 206 . 1 . 1 62 62 ILE CB C 13 33.879 . . . . . . . . 62 I CB . 51061 1 207 . 1 . 1 62 62 ILE N N 15 117.990 . . . . . . . . 62 I N . 51061 1 208 . 1 . 1 63 63 THR H H 1 8.279 . . . . . . . . 63 T H . 51061 1 209 . 1 . 1 63 63 THR CA C 13 60.838 . . . . . . . . 63 T CA . 51061 1 210 . 1 . 1 63 63 THR N N 15 118.711 . . . . . . . . 63 T N . 51061 1 211 . 1 . 1 64 64 ALA H H 1 8.591 . . . . . . . . 64 A H . 51061 1 212 . 1 . 1 64 64 ALA CA C 13 51.932 . . . . . . . . 64 A CA . 51061 1 213 . 1 . 1 64 64 ALA CB C 13 16.641 . . . . . . . . 64 A CB . 51061 1 214 . 1 . 1 64 64 ALA N N 15 122.742 . . . . . . . . 64 A N . 51061 1 215 . 1 . 1 65 65 ALA H H 1 7.517 . . . . . . . . 65 A H . 51061 1 216 . 1 . 1 65 65 ALA CA C 13 52.229 . . . . . . . . 65 A CA . 51061 1 217 . 1 . 1 65 65 ALA CB C 13 14.643 . . . . . . . . 65 A CB . 51061 1 218 . 1 . 1 65 65 ALA N N 15 123.169 . . . . . . . . 65 A N . 51061 1 219 . 1 . 1 66 66 LEU H H 1 8.646 . . . . . . . . 66 L H . 51061 1 220 . 1 . 1 66 66 LEU CA C 13 54.556 . . . . . . . . 66 L CA . 51061 1 221 . 1 . 1 66 66 LEU CB C 13 36.954 . . . . . . . . 66 L CB . 51061 1 222 . 1 . 1 66 66 LEU N N 15 118.428 . . . . . . . . 66 L N . 51061 1 223 . 1 . 1 67 67 GLY H H 1 8.019 . . . . . . . . 67 G H . 51061 1 224 . 1 . 1 67 67 GLY CA C 13 44.216 . . . . . . . . 67 G CA . 51061 1 225 . 1 . 1 67 67 GLY N N 15 108.546 . . . . . . . . 67 G N . 51061 1 226 . 1 . 1 68 68 ARG H H 1 7.873 . . . . . . . . 68 R H . 51061 1 227 . 1 . 1 68 68 ARG CA C 13 54.362 . . . . . . . . 68 R CA . 51061 1 228 . 1 . 1 68 68 ARG N N 15 128.396 . . . . . . . . 68 R N . 51061 1 229 . 1 . 1 69 69 PHE H H 1 7.890 . . . . . . . . 69 F H . 51061 1 230 . 1 . 1 69 69 PHE CA C 13 58.469 . . . . . . . . 69 F CA . 51061 1 231 . 1 . 1 69 69 PHE CB C 13 36.894 . . . . . . . . 69 F CB . 51061 1 232 . 1 . 1 69 69 PHE N N 15 120.302 . . . . . . . . 69 F N . 51061 1 233 . 1 . 1 70 70 ASP H H 1 8.315 . . . . . . . . 70 D H . 51061 1 234 . 1 . 1 70 70 ASP CA C 13 52.147 . . . . . . . . 70 D CA . 51061 1 235 . 1 . 1 70 70 ASP CB C 13 35.829 . . . . . . . . 70 D CB . 51061 1 236 . 1 . 1 70 70 ASP N N 15 118.634 . . . . . . . . 70 D N . 51061 1 237 . 1 . 1 71 71 GLU H H 1 8.119 . . . . . . . . 71 E H . 51061 1 238 . 1 . 1 71 71 GLU CA C 13 55.791 . . . . . . . . 71 E CA . 51061 1 239 . 1 . 1 71 71 GLU CB C 13 26.649 . . . . . . . . 71 E CB . 51061 1 240 . 1 . 1 71 71 GLU N N 15 118.019 . . . . . . . . 71 E N . 51061 1 241 . 1 . 1 72 72 VAL H H 1 8.177 . . . . . . . . 72 V H . 51061 1 242 . 1 . 1 72 72 VAL CA C 13 61.728 . . . . . . . . 72 V CA . 51061 1 243 . 1 . 1 72 72 VAL CB C 13 30.703 . . . . . . . . 72 V CB . 51061 1 244 . 1 . 1 72 72 VAL N N 15 124.496 . . . . . . . . 72 V N . 51061 1 245 . 1 . 1 73 73 LEU H H 1 6.689 . . . . . . . . 73 L H . 51061 1 246 . 1 . 1 73 73 LEU CA C 13 54.534 . . . . . . . . 73 L CA . 51061 1 247 . 1 . 1 73 73 LEU CB C 13 36.420 . . . . . . . . 73 L CB . 51061 1 248 . 1 . 1 73 73 LEU N N 15 117.106 . . . . . . . . 73 L N . 51061 1 249 . 1 . 1 74 74 LYS H H 1 8.611 . . . . . . . . 74 K H . 51061 1 250 . 1 . 1 74 74 LYS CA C 13 56.024 . . . . . . . . 74 K CA . 51061 1 251 . 1 . 1 74 74 LYS N N 15 120.453 . . . . . . . . 74 K N . 51061 1 252 . 1 . 1 75 75 GLU H H 1 7.839 . . . . . . . . 75 E H . 51061 1 253 . 1 . 1 75 75 GLU CA C 13 56.950 . . . . . . . . 75 E CA . 51061 1 254 . 1 . 1 75 75 GLU CB C 13 35.257 . . . . . . . . 75 E CB . 51061 1 255 . 1 . 1 75 75 GLU N N 15 124.332 . . . . . . . . 75 E N . 51061 1 256 . 1 . 1 76 76 ALA H H 1 7.958 . . . . . . . . 76 A H . 51061 1 257 . 1 . 1 76 76 ALA CA C 13 53.720 . . . . . . . . 76 A CA . 51061 1 258 . 1 . 1 76 76 ALA CB C 13 22.357 . . . . . . . . 76 A CB . 51061 1 259 . 1 . 1 76 76 ALA N N 15 119.423 . . . . . . . . 76 A N . 51061 1 260 . 1 . 1 77 77 ASN H H 1 8.609 . . . . . . . . 77 N H . 51061 1 261 . 1 . 1 77 77 ASN CA C 13 53.685 . . . . . . . . 77 N CA . 51061 1 262 . 1 . 1 77 77 ASN CB C 13 36.271 . . . . . . . . 77 N CB . 51061 1 263 . 1 . 1 77 77 ASN N N 15 115.807 . . . . . . . . 77 N N . 51061 1 264 . 1 . 1 78 78 GLN H H 1 7.761 . . . . . . . . 78 Q H . 51061 1 265 . 1 . 1 78 78 GLN CA C 13 55.772 . . . . . . . . 78 Q CA . 51061 1 266 . 1 . 1 78 78 GLN CB C 13 25.169 . . . . . . . . 78 Q CB . 51061 1 267 . 1 . 1 78 78 GLN N N 15 117.654 . . . . . . . . 78 Q N . 51061 1 268 . 1 . 1 79 79 GLN H H 1 7.182 . . . . . . . . 79 Q H . 51061 1 269 . 1 . 1 79 79 GLN CA C 13 54.882 . . . . . . . . 79 Q CA . 51061 1 270 . 1 . 1 79 79 GLN N N 15 111.012 . . . . . . . . 79 Q N . 51061 1 271 . 1 . 1 80 80 ILE H H 1 7.932 . . . . . . . . 80 I H . 51061 1 272 . 1 . 1 80 80 ILE CA C 13 62.091 . . . . . . . . 80 I CA . 51061 1 273 . 1 . 1 80 80 ILE CB C 13 34.569 . . . . . . . . 80 I CB . 51061 1 274 . 1 . 1 80 80 ILE N N 15 120.179 . . . . . . . . 80 I N . 51061 1 275 . 1 . 1 81 81 GLU H H 1 7.573 . . . . . . . . 81 E H . 51061 1 276 . 1 . 1 81 81 GLU CA C 13 56.316 . . . . . . . . 81 E CA . 51061 1 277 . 1 . 1 81 81 GLU CB C 13 28.835 . . . . . . . . 81 E CB . 51061 1 278 . 1 . 1 81 81 GLU N N 15 118.688 . . . . . . . . 81 E N . 51061 1 279 . 1 . 1 82 82 LYS H H 1 7.978 . . . . . . . . 82 K H . 51061 1 280 . 1 . 1 82 82 LYS CA C 13 55.341 . . . . . . . . 82 K CA . 51061 1 281 . 1 . 1 82 82 LYS CB C 13 35.335 . . . . . . . . 82 K CB . 51061 1 282 . 1 . 1 82 82 LYS N N 15 118.000 . . . . . . . . 82 K N . 51061 1 283 . 1 . 1 83 83 PHE H H 1 8.326 . . . . . . . . 83 F H . 51061 1 284 . 1 . 1 83 83 PHE CA C 13 56.699 . . . . . . . . 83 F CA . 51061 1 285 . 1 . 1 83 83 PHE N N 15 121.768 . . . . . . . . 83 F N . 51061 1 286 . 1 . 1 84 84 SER H H 1 7.978 . . . . . . . . 84 S H . 51061 1 287 . 1 . 1 84 84 SER N N 15 107.815 . . . . . . . . 84 S N . 51061 1 288 . 1 . 1 85 85 LYS H H 1 8.209 . . . . . . . . 85 K H . 51061 1 289 . 1 . 1 85 85 LYS CA C 13 56.702 . . . . . . . . 85 K CA . 51061 1 290 . 1 . 1 85 85 LYS CB C 13 28.574 . . . . . . . . 85 K CB . 51061 1 291 . 1 . 1 85 85 LYS N N 15 121.511 . . . . . . . . 85 K N . 51061 1 292 . 1 . 1 86 86 LYS H H 1 7.833 . . . . . . . . 86 K H . 51061 1 293 . 1 . 1 86 86 LYS CA C 13 54.147 . . . . . . . . 86 K CA . 51061 1 294 . 1 . 1 86 86 LYS CB C 13 28.680 . . . . . . . . 86 K CB . 51061 1 295 . 1 . 1 86 86 LYS N N 15 118.671 . . . . . . . . 86 K N . 51061 1 296 . 1 . 1 87 87 SER H H 1 7.637 . . . . . . . . 87 S H . 51061 1 297 . 1 . 1 87 87 SER CA C 13 55.716 . . . . . . . . 87 S CA . 51061 1 298 . 1 . 1 87 87 SER N N 15 119.426 . . . . . . . . 87 S N . 51061 1 299 . 1 . 1 89 89 ILE H H 1 9.122 . . . . . . . . 89 I H . 51061 1 300 . 1 . 1 89 89 ILE CA C 13 61.966 . . . . . . . . 89 I CA . 51061 1 301 . 1 . 1 89 89 ILE CB C 13 35.778 . . . . . . . . 89 I CB . 51061 1 302 . 1 . 1 89 89 ILE N N 15 118.474 . . . . . . . . 89 I N . 51061 1 303 . 1 . 1 90 90 TRP H H 1 8.462 . . . . . . . . 90 W H . 51061 1 304 . 1 . 1 90 90 TRP CA C 13 57.155 . . . . . . . . 90 W CA . 51061 1 305 . 1 . 1 90 90 TRP CB C 13 26.479 . . . . . . . . 90 W CB . 51061 1 306 . 1 . 1 90 90 TRP N N 15 123.346 . . . . . . . . 90 W N . 51061 1 307 . 1 . 1 91 91 LYS H H 1 10.963 . . . . . . . . 91 K H . 51061 1 308 . 1 . 1 91 91 LYS CA C 13 55.236 . . . . . . . . 91 K CA . 51061 1 309 . 1 . 1 91 91 LYS CB C 13 33.754 . . . . . . . . 91 K CB . 51061 1 310 . 1 . 1 91 91 LYS N N 15 121.472 . . . . . . . . 91 K N . 51061 1 311 . 1 . 1 92 92 PHE H H 1 8.771 . . . . . . . . 92 F H . 51061 1 312 . 1 . 1 92 92 PHE CA C 13 53.362 . . . . . . . . 92 F CA . 51061 1 313 . 1 . 1 92 92 PHE CB C 13 38.616 . . . . . . . . 92 F CB . 51061 1 314 . 1 . 1 92 92 PHE N N 15 115.677 . . . . . . . . 92 F N . 51061 1 315 . 1 . 1 93 93 VAL H H 1 7.492 . . . . . . . . 93 V H . 51061 1 316 . 1 . 1 93 93 VAL CA C 13 58.603 . . . . . . . . 93 V CA . 51061 1 317 . 1 . 1 93 93 VAL N N 15 120.246 . . . . . . . . 93 V N . 51061 1 318 . 1 . 1 94 94 SER H H 1 7.936 . . . . . . . . 94 S H . 51061 1 319 . 1 . 1 94 94 SER CA C 13 55.337 . . . . . . . . 94 S CA . 51061 1 320 . 1 . 1 94 94 SER CB C 13 60.828 . . . . . . . . 94 S CB . 51061 1 321 . 1 . 1 94 94 SER N N 15 118.115 . . . . . . . . 94 S N . 51061 1 322 . 1 . 1 95 95 VAL H H 1 7.821 . . . . . . . . 95 V H . 51061 1 323 . 1 . 1 95 95 VAL CA C 13 59.193 . . . . . . . . 95 V CA . 51061 1 324 . 1 . 1 95 95 VAL CB C 13 29.290 . . . . . . . . 95 V CB . 51061 1 325 . 1 . 1 95 95 VAL N N 15 120.598 . . . . . . . . 95 V N . 51061 1 326 . 1 . 1 96 96 GLY H H 1 8.221 . . . . . . . . 96 G H . 51061 1 327 . 1 . 1 96 96 GLY CA C 13 42.179 . . . . . . . . 96 G CA . 51061 1 328 . 1 . 1 96 96 GLY N N 15 111.918 . . . . . . . . 96 G N . 51061 1 329 . 1 . 1 97 97 ASN H H 1 8.211 . . . . . . . . 97 N H . 51061 1 330 . 1 . 1 97 97 ASN CA C 13 50.762 . . . . . . . . 97 N CA . 51061 1 331 . 1 . 1 97 97 ASN CB C 13 35.538 . . . . . . . . 97 N CB . 51061 1 332 . 1 . 1 97 97 ASN N N 15 119.361 . . . . . . . . 97 N N . 51061 1 333 . 1 . 1 98 98 ASP H H 1 8.164 . . . . . . . . 98 D H . 51061 1 334 . 1 . 1 98 98 ASP CA C 13 51.274 . . . . . . . . 98 D CA . 51061 1 335 . 1 . 1 98 98 ASP CB C 13 37.561 . . . . . . . . 98 D CB . 51061 1 336 . 1 . 1 98 98 ASP N N 15 119.350 . . . . . . . . 98 D N . 51061 1 337 . 1 . 1 99 99 LYS H H 1 7.729 . . . . . . . . 99 K H . 51061 1 338 . 1 . 1 99 99 LYS CA C 13 53.203 . . . . . . . . 99 K CA . 51061 1 339 . 1 . 1 99 99 LYS N N 15 120.462 . . . . . . . . 99 K N . 51061 1 340 . 1 . 1 100 100 ILE H H 1 7.801 . . . . . . . . 100 I H . 51061 1 341 . 1 . 1 100 100 ILE CB C 13 33.575 . . . . . . . . 100 I CB . 51061 1 342 . 1 . 1 100 100 ILE N N 15 121.799 . . . . . . . . 100 I N . 51061 1 343 . 1 . 1 101 101 LEU H H 1 8.557 . . . . . . . . 101 L H . 51061 1 344 . 1 . 1 101 101 LEU CA C 13 55.221 . . . . . . . . 101 L CA . 51061 1 345 . 1 . 1 101 101 LEU CB C 13 38.704 . . . . . . . . 101 L CB . 51061 1 346 . 1 . 1 101 101 LEU N N 15 131.575 . . . . . . . . 101 L N . 51061 1 347 . 1 . 1 102 102 PHE H H 1 8.557 . . . . . . . . 102 F H . 51061 1 348 . 1 . 1 102 102 PHE CA C 13 54.632 . . . . . . . . 102 F CA . 51061 1 349 . 1 . 1 102 102 PHE N N 15 119.584 . . . . . . . . 102 F N . 51061 1 350 . 1 . 1 103 103 HIS H H 1 8.622 . . . . . . . . 103 H H . 51061 1 351 . 1 . 1 103 103 HIS CA C 13 54.717 . . . . . . . . 103 H CA . 51061 1 352 . 1 . 1 103 103 HIS N N 15 117.662 . . . . . . . . 103 H N . 51061 1 353 . 1 . 1 104 104 GLU H H 1 7.760 . . . . . . . . 104 E H . 51061 1 354 . 1 . 1 104 104 GLU CB C 13 34.153 . . . . . . . . 104 E CB . 51061 1 355 . 1 . 1 104 104 GLU N N 15 121.480 . . . . . . . . 104 E N . 51061 1 356 . 1 . 1 105 105 VAL CA C 13 62.995 . . . . . . . . 105 V CA . 51061 1 357 . 1 . 1 106 106 ASN H H 1 8.957 . . . . . . . . 106 N H . 51061 1 358 . 1 . 1 106 106 ASN CA C 13 52.865 . . . . . . . . 106 N CA . 51061 1 359 . 1 . 1 106 106 ASN N N 15 120.035 . . . . . . . . 106 N N . 51061 1 360 . 1 . 1 107 107 GLU H H 1 7.627 . . . . . . . . 107 E H . 51061 1 361 . 1 . 1 107 107 GLU CA C 13 55.939 . . . . . . . . 107 E CA . 51061 1 362 . 1 . 1 107 107 GLU CB C 13 29.341 . . . . . . . . 107 E CB . 51061 1 363 . 1 . 1 107 107 GLU N N 15 120.778 . . . . . . . . 107 E N . 51061 1 364 . 1 . 1 108 108 LYS H H 1 7.390 . . . . . . . . 108 K H . 51061 1 365 . 1 . 1 108 108 LYS CA C 13 57.458 . . . . . . . . 108 K CA . 51061 1 366 . 1 . 1 108 108 LYS N N 15 120.693 . . . . . . . . 108 K N . 51061 1 367 . 1 . 1 109 109 LEU H H 1 7.900 . . . . . . . . 109 L H . 51061 1 368 . 1 . 1 109 109 LEU N N 15 116.706 . . . . . . . . 109 L N . 51061 1 369 . 1 . 1 110 110 ARG H H 1 8.295 . . . . . . . . 110 R H . 51061 1 370 . 1 . 1 110 110 ARG CA C 13 52.350 . . . . . . . . 110 R CA . 51061 1 371 . 1 . 1 110 110 ARG CB C 13 26.084 . . . . . . . . 110 R CB . 51061 1 372 . 1 . 1 110 110 ARG N N 15 122.095 . . . . . . . . 110 R N . 51061 1 373 . 1 . 1 111 111 ASP H H 1 8.412 . . . . . . . . 111 D H . 51061 1 374 . 1 . 1 111 111 ASP CA C 13 52.318 . . . . . . . . 111 D CA . 51061 1 375 . 1 . 1 111 111 ASP CB C 13 37.127 . . . . . . . . 111 D CB . 51061 1 376 . 1 . 1 111 111 ASP N N 15 120.959 . . . . . . . . 111 D N . 51061 1 377 . 1 . 1 112 112 VAL H H 1 8.061 . . . . . . . . 112 V H . 51061 1 378 . 1 . 1 112 112 VAL CA C 13 59.202 . . . . . . . . 112 V CA . 51061 1 379 . 1 . 1 112 112 VAL CB C 13 27.268 . . . . . . . . 112 V CB . 51061 1 380 . 1 . 1 112 112 VAL N N 15 120.206 . . . . . . . . 112 V N . 51061 1 381 . 1 . 1 113 113 TRP H H 1 8.446 . . . . . . . . 113 W H . 51061 1 382 . 1 . 1 113 113 TRP CA C 13 54.588 . . . . . . . . 113 W CA . 51061 1 383 . 1 . 1 113 113 TRP CB C 13 29.715 . . . . . . . . 113 W CB . 51061 1 384 . 1 . 1 113 113 TRP N N 15 120.061 . . . . . . . . 113 W N . 51061 1 385 . 1 . 1 114 114 GLU H H 1 8.428 . . . . . . . . 114 E H . 51061 1 386 . 1 . 1 114 114 GLU CA C 13 57.334 . . . . . . . . 114 E CA . 51061 1 387 . 1 . 1 114 114 GLU CB C 13 29.335 . . . . . . . . 114 E CB . 51061 1 388 . 1 . 1 114 114 GLU N N 15 120.049 . . . . . . . . 114 E N . 51061 1 389 . 1 . 1 115 115 GLU H H 1 8.194 . . . . . . . . 115 E H . 51061 1 390 . 1 . 1 115 115 GLU CA C 13 53.490 . . . . . . . . 115 E CA . 51061 1 391 . 1 . 1 115 115 GLU CB C 13 29.881 . . . . . . . . 115 E CB . 51061 1 392 . 1 . 1 115 115 GLU N N 15 121.556 . . . . . . . . 115 E N . 51061 1 393 . 1 . 1 116 116 LEU H H 1 7.433 . . . . . . . . 116 L H . 51061 1 394 . 1 . 1 116 116 LEU CA C 13 56.030 . . . . . . . . 116 L CA . 51061 1 395 . 1 . 1 116 116 LEU CB C 13 25.665 . . . . . . . . 116 L CB . 51061 1 396 . 1 . 1 116 116 LEU N N 15 120.294 . . . . . . . . 116 L N . 51061 1 397 . 1 . 1 117 117 LEU H H 1 7.416 . . . . . . . . 117 L H . 51061 1 398 . 1 . 1 117 117 LEU N N 15 120.614 . . . . . . . . 117 L N . 51061 1 399 . 1 . 1 118 118 LEU H H 1 7.395 . . . . . . . . 118 L H . 51061 1 400 . 1 . 1 118 118 LEU N N 15 120.709 . . . . . . . . 118 L N . 51061 1 401 . 1 . 1 120 120 LEU H H 1 7.789 . . . . . . . . 120 L H . 51061 1 402 . 1 . 1 120 120 LEU CA C 13 53.682 . . . . . . . . 120 L CA . 51061 1 403 . 1 . 1 120 120 LEU CB C 13 37.913 . . . . . . . . 120 L CB . 51061 1 404 . 1 . 1 120 120 LEU N N 15 121.297 . . . . . . . . 120 L N . 51061 1 405 . 1 . 1 121 121 GLN H H 1 8.487 . . . . . . . . 121 Q H . 51061 1 406 . 1 . 1 121 121 GLN N N 15 120.716 . . . . . . . . 121 Q N . 51061 1 407 . 1 . 1 123 123 TYR H H 1 7.588 . . . . . . . . 123 Y H . 51061 1 408 . 1 . 1 123 123 TYR CA C 13 54.024 . . . . . . . . 123 Y CA . 51061 1 409 . 1 . 1 123 123 TYR CB C 13 36.671 . . . . . . . . 123 Y CB . 51061 1 410 . 1 . 1 123 123 TYR N N 15 118.261 . . . . . . . . 123 Y N . 51061 1 411 . 1 . 1 124 124 HIS H H 1 7.716 . . . . . . . . 124 H H . 51061 1 412 . 1 . 1 124 124 HIS CA C 13 55.130 . . . . . . . . 124 H CA . 51061 1 413 . 1 . 1 124 124 HIS N N 15 119.646 . . . . . . . . 124 H N . 51061 1 414 . 1 . 1 125 125 TRP H H 1 7.907 . . . . . . . . 125 W H . 51061 1 415 . 1 . 1 125 125 TRP CA C 13 53.558 . . . . . . . . 125 W CA . 51061 1 416 . 1 . 1 125 125 TRP N N 15 119.393 . . . . . . . . 125 W N . 51061 1 417 . 1 . 1 126 126 ASN H H 1 8.289 . . . . . . . . 126 N H . 51061 1 418 . 1 . 1 126 126 ASN CA C 13 51.154 . . . . . . . . 126 N CA . 51061 1 419 . 1 . 1 126 126 ASN CB C 13 35.763 . . . . . . . . 126 N CB . 51061 1 420 . 1 . 1 126 126 ASN N N 15 119.006 . . . . . . . . 126 N N . 51061 1 421 . 1 . 1 127 127 THR H H 1 8.104 . . . . . . . . 127 T H . 51061 1 422 . 1 . 1 127 127 THR CA C 13 58.284 . . . . . . . . 127 T CA . 51061 1 423 . 1 . 1 127 127 THR CB C 13 66.698 . . . . . . . . 127 T CB . 51061 1 424 . 1 . 1 127 127 THR N N 15 114.620 . . . . . . . . 127 T N . 51061 1 425 . 1 . 1 128 128 VAL H H 1 8.183 . . . . . . . . 128 V H . 51061 1 426 . 1 . 1 128 128 VAL N N 15 116.067 . . . . . . . . 128 V N . 51061 1 427 . 1 . 1 129 129 SER H H 1 8.317 . . . . . . . . 129 S H . 51061 1 428 . 1 . 1 129 129 SER CA C 13 55.017 . . . . . . . . 129 S CA . 51061 1 429 . 1 . 1 129 129 SER CB C 13 61.535 . . . . . . . . 129 S CB . 51061 1 430 . 1 . 1 129 129 SER N N 15 120.964 . . . . . . . . 129 S N . 51061 1 431 . 1 . 1 130 130 ASP H H 1 8.429 . . . . . . . . 130 D H . 51061 1 432 . 1 . 1 130 130 ASP CA C 13 51.400 . . . . . . . . 130 D CA . 51061 1 433 . 1 . 1 130 130 ASP CB C 13 37.538 . . . . . . . . 130 D CB . 51061 1 434 . 1 . 1 130 130 ASP N N 15 122.435 . . . . . . . . 130 D N . 51061 1 435 . 1 . 1 131 131 VAL H H 1 7.945 . . . . . . . . 131 V H . 51061 1 436 . 1 . 1 131 131 VAL CA C 13 62.070 . . . . . . . . 131 V CA . 51061 1 437 . 1 . 1 131 131 VAL N N 15 119.949 . . . . . . . . 131 V N . 51061 1 438 . 1 . 1 132 132 SER H H 1 7.900 . . . . . . . . 132 S H . 51061 1 439 . 1 . 1 132 132 SER CA C 13 56.260 . . . . . . . . 132 S CA . 51061 1 440 . 1 . 1 132 132 SER CB C 13 62.072 . . . . . . . . 132 S CB . 51061 1 441 . 1 . 1 132 132 SER N N 15 124.689 . . . . . . . . 132 S N . 51061 1 442 . 1 . 1 133 133 GLN H H 1 7.358 . . . . . . . . 133 Q H . 51061 1 443 . 1 . 1 133 133 GLN CA C 13 55.846 . . . . . . . . 133 Q CA . 51061 1 444 . 1 . 1 133 133 GLN CB C 13 25.949 . . . . . . . . 133 Q CB . 51061 1 445 . 1 . 1 133 133 GLN N N 15 120.953 . . . . . . . . 133 Q N . 51061 1 446 . 1 . 1 134 134 PRO CA C 13 60.996 . . . . . . . . 134 P CA . 51061 1 447 . 1 . 1 135 135 ALA H H 1 7.974 . . . . . . . . 135 A H . 51061 1 448 . 1 . 1 135 135 ALA CA C 13 51.328 . . . . . . . . 135 A CA . 51061 1 449 . 1 . 1 135 135 ALA CB C 13 15.068 . . . . . . . . 135 A CB . 51061 1 450 . 1 . 1 135 135 ALA N N 15 120.500 . . . . . . . . 135 A N . 51061 1 451 . 1 . 1 136 136 SER H H 1 8.220 . . . . . . . . 136 S H . 51061 1 452 . 1 . 1 136 136 SER CA C 13 56.496 . . . . . . . . 136 S CA . 51061 1 453 . 1 . 1 136 136 SER CB C 13 61.221 . . . . . . . . 136 S CB . 51061 1 454 . 1 . 1 136 136 SER N N 15 112.870 . . . . . . . . 136 S N . 51061 1 455 . 1 . 1 137 137 TRP H H 1 7.871 . . . . . . . . 137 W H . 51061 1 456 . 1 . 1 137 137 TRP CA C 13 56.178 . . . . . . . . 137 W CA . 51061 1 457 . 1 . 1 137 137 TRP CB C 13 25.883 . . . . . . . . 137 W CB . 51061 1 458 . 1 . 1 137 137 TRP N N 15 122.844 . . . . . . . . 137 W N . 51061 1 459 . 1 . 1 138 138 GLN H H 1 8.585 . . . . . . . . 138 Q H . 51061 1 460 . 1 . 1 138 138 GLN CA C 13 56.720 . . . . . . . . 138 Q CA . 51061 1 461 . 1 . 1 138 138 GLN CB C 13 24.894 . . . . . . . . 138 Q CB . 51061 1 462 . 1 . 1 138 138 GLN N N 15 119.186 . . . . . . . . 138 Q N . 51061 1 463 . 1 . 1 139 139 GLN H H 1 7.309 . . . . . . . . 139 Q H . 51061 1 464 . 1 . 1 139 139 GLN CB C 13 25.485 . . . . . . . . 139 Q CB . 51061 1 465 . 1 . 1 139 139 GLN N N 15 118.407 . . . . . . . . 139 Q N . 51061 1 466 . 1 . 1 140 140 GLU H H 1 8.228 . . . . . . . . 140 E H . 51061 1 467 . 1 . 1 140 140 GLU N N 15 120.488 . . . . . . . . 140 E N . 51061 1 468 . 1 . 1 141 141 ASP H H 1 7.305 . . . . . . . . 141 D H . 51061 1 469 . 1 . 1 141 141 ASP CA C 13 54.508 . . . . . . . . 141 D CA . 51061 1 470 . 1 . 1 141 141 ASP CB C 13 38.678 . . . . . . . . 141 D CB . 51061 1 471 . 1 . 1 141 141 ASP N N 15 118.405 . . . . . . . . 141 D N . 51061 1 472 . 1 . 1 142 142 ARG H H 1 7.476 . . . . . . . . 142 R H . 51061 1 473 . 1 . 1 142 142 ARG CB C 13 25.979 . . . . . . . . 142 R CB . 51061 1 474 . 1 . 1 142 142 ARG N N 15 115.340 . . . . . . . . 142 R N . 51061 1 475 . 1 . 1 143 143 GLN H H 1 7.389 . . . . . . . . 143 Q H . 51061 1 476 . 1 . 1 143 143 GLN CA C 13 56.465 . . . . . . . . 143 Q CA . 51061 1 477 . 1 . 1 143 143 GLN CB C 13 29.799 . . . . . . . . 143 Q CB . 51061 1 478 . 1 . 1 143 143 GLN N N 15 118.996 . . . . . . . . 143 Q N . 51061 1 479 . 1 . 1 144 144 ASP H H 1 7.381 . . . . . . . . 144 D H . 51061 1 480 . 1 . 1 144 144 ASP CA C 13 53.506 . . . . . . . . 144 D CA . 51061 1 481 . 1 . 1 144 144 ASP N N 15 122.087 . . . . . . . . 144 D N . 51061 1 482 . 1 . 1 145 145 ALA H H 1 7.821 . . . . . . . . 145 A H . 51061 1 483 . 1 . 1 145 145 ALA CA C 13 52.431 . . . . . . . . 145 A CA . 51061 1 484 . 1 . 1 145 145 ALA N N 15 121.094 . . . . . . . . 145 A N . 51061 1 485 . 1 . 1 146 146 GLU H H 1 8.031 . . . . . . . . 146 E H . 51061 1 486 . 1 . 1 146 146 GLU CA C 13 56.685 . . . . . . . . 146 E CA . 51061 1 487 . 1 . 1 146 146 GLU CB C 13 26.015 . . . . . . . . 146 E CB . 51061 1 488 . 1 . 1 146 146 GLU N N 15 121.043 . . . . . . . . 146 E N . 51061 1 489 . 1 . 1 147 147 GLU H H 1 7.509 . . . . . . . . 147 E H . 51061 1 490 . 1 . 1 147 147 GLU CA C 13 56.203 . . . . . . . . 147 E CA . 51061 1 491 . 1 . 1 147 147 GLU N N 15 118.541 . . . . . . . . 147 E N . 51061 1 492 . 1 . 1 148 148 ASP H H 1 9.267 . . . . . . . . 148 D H . 51061 1 493 . 1 . 1 148 148 ASP CA C 13 54.499 . . . . . . . . 148 D CA . 51061 1 494 . 1 . 1 148 148 ASP CB C 13 38.726 . . . . . . . . 148 D CB . 51061 1 495 . 1 . 1 148 148 ASP N N 15 121.943 . . . . . . . . 148 D N . 51061 1 496 . 1 . 1 149 149 GLY H H 1 8.175 . . . . . . . . 149 G H . 51061 1 497 . 1 . 1 149 149 GLY CA C 13 43.941 . . . . . . . . 149 G CA . 51061 1 498 . 1 . 1 149 149 GLY N N 15 108.745 . . . . . . . . 149 G N . 51061 1 499 . 1 . 1 150 150 ASN H H 1 7.788 . . . . . . . . 150 N H . 51061 1 500 . 1 . 1 150 150 ASN CA C 13 53.730 . . . . . . . . 150 N CA . 51061 1 501 . 1 . 1 150 150 ASN CB C 13 37.564 . . . . . . . . 150 N CB . 51061 1 502 . 1 . 1 150 150 ASN N N 15 124.331 . . . . . . . . 150 N N . 51061 1 503 . 1 . 1 151 151 GLU H H 1 7.959 . . . . . . . . 151 E H . 51061 1 504 . 1 . 1 151 151 GLU CA C 13 52.650 . . . . . . . . 151 E CA . 51061 1 505 . 1 . 1 151 151 GLU CB C 13 28.154 . . . . . . . . 151 E CB . 51061 1 506 . 1 . 1 151 151 GLU N N 15 119.979 . . . . . . . . 151 E N . 51061 1 507 . 1 . 1 152 152 ASN H H 1 8.012 . . . . . . . . 152 N H . 51061 1 508 . 1 . 1 152 152 ASN CA C 13 53.650 . . . . . . . . 152 N CA . 51061 1 509 . 1 . 1 152 152 ASN N N 15 121.675 . . . . . . . . 152 N N . 51061 1 510 . 1 . 1 153 153 MET H H 1 8.486 . . . . . . . . 153 M H . 51061 1 511 . 1 . 1 153 153 MET CA C 13 53.417 . . . . . . . . 153 M CA . 51061 1 512 . 1 . 1 153 153 MET N N 15 120.711 . . . . . . . . 153 M N . 51061 1 513 . 1 . 1 154 154 LYS H H 1 7.658 . . . . . . . . 154 K H . 51061 1 514 . 1 . 1 154 154 LYS CA C 13 53.634 . . . . . . . . 154 K CA . 51061 1 515 . 1 . 1 154 154 LYS CB C 13 28.446 . . . . . . . . 154 K CB . 51061 1 516 . 1 . 1 154 154 LYS N N 15 120.436 . . . . . . . . 154 K N . 51061 1 517 . 1 . 1 155 155 VAL H H 1 7.755 . . . . . . . . 155 V H . 51061 1 518 . 1 . 1 155 155 VAL CA C 13 61.508 . . . . . . . . 155 V CA . 51061 1 519 . 1 . 1 155 155 VAL N N 15 120.351 . . . . . . . . 155 V N . 51061 1 520 . 1 . 1 156 156 ILE H H 1 7.948 . . . . . . . . 156 I H . 51061 1 521 . 1 . 1 156 156 ILE CA C 13 57.119 . . . . . . . . 156 I CA . 51061 1 522 . 1 . 1 156 156 ILE CB C 13 37.387 . . . . . . . . 156 I CB . 51061 1 523 . 1 . 1 156 156 ILE N N 15 121.911 . . . . . . . . 156 I N . 51061 1 524 . 1 . 1 157 157 LEU H H 1 8.708 . . . . . . . . 157 L H . 51061 1 525 . 1 . 1 157 157 LEU CA C 13 54.385 . . . . . . . . 157 L CA . 51061 1 526 . 1 . 1 157 157 LEU N N 15 121.120 . . . . . . . . 157 L N . 51061 1 527 . 1 . 1 158 158 MET H H 1 8.168 . . . . . . . . 158 M H . 51061 1 528 . 1 . 1 158 158 MET CA C 13 55.065 . . . . . . . . 158 M CA . 51061 1 529 . 1 . 1 158 158 MET N N 15 119.750 . . . . . . . . 158 M N . 51061 1 530 . 1 . 1 159 159 GLN H H 1 7.817 . . . . . . . . 159 Q H . 51061 1 531 . 1 . 1 159 159 GLN CA C 13 53.867 . . . . . . . . 159 Q CA . 51061 1 532 . 1 . 1 159 159 GLN CB C 13 29.011 . . . . . . . . 159 Q CB . 51061 1 533 . 1 . 1 159 159 GLN N N 15 118.633 . . . . . . . . 159 Q N . 51061 1 534 . 1 . 1 160 160 LEU H H 1 8.828 . . . . . . . . 160 L H . 51061 1 535 . 1 . 1 160 160 LEU CA C 13 56.415 . . . . . . . . 160 L CA . 51061 1 536 . 1 . 1 160 160 LEU N N 15 122.889 . . . . . . . . 160 L N . 51061 1 537 . 1 . 1 161 161 GLN H H 1 8.069 . . . . . . . . 161 Q H . 51061 1 538 . 1 . 1 161 161 GLN CA C 13 55.669 . . . . . . . . 161 Q CA . 51061 1 539 . 1 . 1 161 161 GLN CB C 13 25.741 . . . . . . . . 161 Q CB . 51061 1 540 . 1 . 1 161 161 GLN N N 15 121.526 . . . . . . . . 161 Q N . 51061 1 541 . 1 . 1 162 162 ILE H H 1 7.902 . . . . . . . . 162 I H . 51061 1 542 . 1 . 1 162 162 ILE CA C 13 58.099 . . . . . . . . 162 I CA . 51061 1 543 . 1 . 1 162 162 ILE CB C 13 35.269 . . . . . . . . 162 I CB . 51061 1 544 . 1 . 1 162 162 ILE N N 15 121.908 . . . . . . . . 162 I N . 51061 1 545 . 1 . 1 163 163 SER H H 1 8.475 . . . . . . . . 163 S H . 51061 1 546 . 1 . 1 163 163 SER N N 15 118.595 . . . . . . . . 163 S N . 51061 1 stop_ save_