data_26863 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26863 _Entry.Title ; ScribPDZ4apo ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-30 _Entry.Accession_date 2016-07-30 _Entry.Last_release_date 2016-08-23 _Entry.Original_release_date 2016-08-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Masataka Umitsu . . . . 26863 2 Mitsuhiko Ikura . . . . 26863 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26863 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 176 26863 '15N chemical shifts' 82 26863 '1H chemical shifts' 82 26863 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 . . 2017-01-06 2016-07-30 update BMRB 'update entry citation' 26863 1 . . 2016-08-23 2016-07-30 original author 'original release' 26863 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26864 ScribPDZ4withp22phoxC10 26863 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26863 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27694890 _Citation.Full_citation . _Citation.Title ; An interaction between Scribble and the NADPH oxidase complex controls M1 macrophage polarization and function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Cell. Biol.' _Citation.Journal_name_full 'Nature Cell Biolgy' _Citation.Journal_volume 18 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 1244 _Citation.Page_last 1252 _Citation.Year 2016 _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 Weiyue Zheng . . . . 26863 1 2 Masataka Umitsu . . . . 26863 1 3 Ishaan Jagan . . . . 26863 1 4 Charles Tran . W. . . 26863 1 5 Noboru Ishiyama . . . . 26863 1 6 Michael BeGora . . . . 26863 1 7 Kiyomi Araki . . . . 26863 1 8 Pamela Ohashi . S. . . 26863 1 9 Mitsuhiko Ikura . . . . 26863 1 10 Senthil Muthuswamy . K. . . 26863 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26863 _Assembly.ID 1 _Assembly.Name ScribPDZ4apo _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 ScribPDZ4apo 1 $ScribPDZ4apo A . yes native no no . . . 26863 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ScribPDZ4apo _Entity.Sf_category entity _Entity.Sf_framecode ScribPDZ4apo _Entity.Entry_ID 26863 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ScribPDZ4apo _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 ; GSHMPGLRELCIQKAPGERL GISIRGGARGHAGNPRDPTD EGIFISKVSPTGAAGRDGRL RVGLRLLEVNQQSLLGLTHG EAVQLLRSVGDTLTVLVCDG FE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 -3 GLY . 26863 1 2 -2 SER . 26863 1 3 -1 HIS . 26863 1 4 0 MET . 26863 1 5 1096 PRO . 26863 1 6 1097 GLY . 26863 1 7 1098 LEU . 26863 1 8 1099 ARG . 26863 1 9 1100 GLU . 26863 1 10 1101 LEU . 26863 1 11 1102 CYS . 26863 1 12 1103 ILE . 26863 1 13 1104 GLN . 26863 1 14 1105 LYS . 26863 1 15 1106 ALA . 26863 1 16 1107 PRO . 26863 1 17 1108 GLY . 26863 1 18 1109 GLU . 26863 1 19 1110 ARG . 26863 1 20 1111 LEU . 26863 1 21 1112 GLY . 26863 1 22 1113 ILE . 26863 1 23 1114 SER . 26863 1 24 1115 ILE . 26863 1 25 1116 ARG . 26863 1 26 1117 GLY . 26863 1 27 1118 GLY . 26863 1 28 1119 ALA . 26863 1 29 1120 ARG . 26863 1 30 1121 GLY . 26863 1 31 1122 HIS . 26863 1 32 1123 ALA . 26863 1 33 1124 GLY . 26863 1 34 1125 ASN . 26863 1 35 1126 PRO . 26863 1 36 1127 ARG . 26863 1 37 1128 ASP . 26863 1 38 1129 PRO . 26863 1 39 1130 THR . 26863 1 40 1131 ASP . 26863 1 41 1132 GLU . 26863 1 42 1133 GLY . 26863 1 43 1134 ILE . 26863 1 44 1135 PHE . 26863 1 45 1136 ILE . 26863 1 46 1137 SER . 26863 1 47 1138 LYS . 26863 1 48 1139 VAL . 26863 1 49 1140 SER . 26863 1 50 1141 PRO . 26863 1 51 1142 THR . 26863 1 52 1143 GLY . 26863 1 53 1144 ALA . 26863 1 54 1145 ALA . 26863 1 55 1146 GLY . 26863 1 56 1147 ARG . 26863 1 57 1148 ASP . 26863 1 58 1149 GLY . 26863 1 59 1150 ARG . 26863 1 60 1151 LEU . 26863 1 61 1152 ARG . 26863 1 62 1153 VAL . 26863 1 63 1154 GLY . 26863 1 64 1155 LEU . 26863 1 65 1156 ARG . 26863 1 66 1157 LEU . 26863 1 67 1158 LEU . 26863 1 68 1159 GLU . 26863 1 69 1160 VAL . 26863 1 70 1161 ASN . 26863 1 71 1162 GLN . 26863 1 72 1163 GLN . 26863 1 73 1164 SER . 26863 1 74 1165 LEU . 26863 1 75 1166 LEU . 26863 1 76 1167 GLY . 26863 1 77 1168 LEU . 26863 1 78 1169 THR . 26863 1 79 1170 HIS . 26863 1 80 1171 GLY . 26863 1 81 1172 GLU . 26863 1 82 1173 ALA . 26863 1 83 1174 VAL . 26863 1 84 1175 GLN . 26863 1 85 1176 LEU . 26863 1 86 1177 LEU . 26863 1 87 1178 ARG . 26863 1 88 1179 SER . 26863 1 89 1180 VAL . 26863 1 90 1181 GLY . 26863 1 91 1182 ASP . 26863 1 92 1183 THR . 26863 1 93 1184 LEU . 26863 1 94 1185 THR . 26863 1 95 1186 VAL . 26863 1 96 1187 LEU . 26863 1 97 1188 VAL . 26863 1 98 1189 CYS . 26863 1 99 1190 ASP . 26863 1 100 1191 GLY . 26863 1 101 1192 PHE . 26863 1 102 1193 GLU . 26863 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 26863 1 . SER 2 2 26863 1 . HIS 3 3 26863 1 . MET 4 4 26863 1 . PRO 5 5 26863 1 . GLY 6 6 26863 1 . LEU 7 7 26863 1 . ARG 8 8 26863 1 . GLU 9 9 26863 1 . LEU 10 10 26863 1 . CYS 11 11 26863 1 . ILE 12 12 26863 1 . GLN 13 13 26863 1 . LYS 14 14 26863 1 . ALA 15 15 26863 1 . PRO 16 16 26863 1 . GLY 17 17 26863 1 . GLU 18 18 26863 1 . ARG 19 19 26863 1 . LEU 20 20 26863 1 . GLY 21 21 26863 1 . ILE 22 22 26863 1 . SER 23 23 26863 1 . ILE 24 24 26863 1 . ARG 25 25 26863 1 . GLY 26 26 26863 1 . GLY 27 27 26863 1 . ALA 28 28 26863 1 . ARG 29 29 26863 1 . GLY 30 30 26863 1 . HIS 31 31 26863 1 . ALA 32 32 26863 1 . GLY 33 33 26863 1 . ASN 34 34 26863 1 . PRO 35 35 26863 1 . ARG 36 36 26863 1 . ASP 37 37 26863 1 . PRO 38 38 26863 1 . THR 39 39 26863 1 . ASP 40 40 26863 1 . GLU 41 41 26863 1 . GLY 42 42 26863 1 . ILE 43 43 26863 1 . PHE 44 44 26863 1 . ILE 45 45 26863 1 . SER 46 46 26863 1 . LYS 47 47 26863 1 . VAL 48 48 26863 1 . SER 49 49 26863 1 . PRO 50 50 26863 1 . THR 51 51 26863 1 . GLY 52 52 26863 1 . ALA 53 53 26863 1 . ALA 54 54 26863 1 . GLY 55 55 26863 1 . ARG 56 56 26863 1 . ASP 57 57 26863 1 . GLY 58 58 26863 1 . ARG 59 59 26863 1 . LEU 60 60 26863 1 . ARG 61 61 26863 1 . VAL 62 62 26863 1 . GLY 63 63 26863 1 . LEU 64 64 26863 1 . ARG 65 65 26863 1 . LEU 66 66 26863 1 . LEU 67 67 26863 1 . GLU 68 68 26863 1 . VAL 69 69 26863 1 . ASN 70 70 26863 1 . GLN 71 71 26863 1 . GLN 72 72 26863 1 . SER 73 73 26863 1 . LEU 74 74 26863 1 . LEU 75 75 26863 1 . GLY 76 76 26863 1 . LEU 77 77 26863 1 . THR 78 78 26863 1 . HIS 79 79 26863 1 . GLY 80 80 26863 1 . GLU 81 81 26863 1 . ALA 82 82 26863 1 . VAL 83 83 26863 1 . GLN 84 84 26863 1 . LEU 85 85 26863 1 . LEU 86 86 26863 1 . ARG 87 87 26863 1 . SER 88 88 26863 1 . VAL 89 89 26863 1 . GLY 90 90 26863 1 . ASP 91 91 26863 1 . THR 92 92 26863 1 . LEU 93 93 26863 1 . THR 94 94 26863 1 . VAL 95 95 26863 1 . LEU 96 96 26863 1 . VAL 97 97 26863 1 . CYS 98 98 26863 1 . ASP 99 99 26863 1 . GLY 100 100 26863 1 . PHE 101 101 26863 1 . GLU 102 102 26863 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26863 _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 $ScribPDZ4apo . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26863 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26863 _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 $ScribPDZ4apo . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26863 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_1_15N _Sample.Entry_ID 26863 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 ScribPDZ4apo '[U-100% 15N]' . . 1 $ScribPDZ4apo . . 0.2 . . mM . . . . 26863 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26863 1 stop_ save_ save_sample_2_15N13C _Sample.Sf_category sample _Sample.Sf_framecode sample_2_15N13C _Sample.Entry_ID 26863 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 ScribPDZ4apo '[U-100% 13C; U-100% 15N]' . . 1 $ScribPDZ4apo . . 0.1 . . mM . . . . 26863 2 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26863 2 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 26863 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 26863 1 pH 6 . pH 26863 1 pressure 1 . atm 26863 1 temperature 298 . K 26863 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26863 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26863 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26863 1 'peak picking' 26863 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26863 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26863 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26863 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26863 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'For titration experiment and 1H-15N assignment based on the previously deposited data.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26863 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'For Ca/Cb CS assignment.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26863 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'For titration experiment and 1H-15N assignment based on the previously deposited data.' . . 26863 1 2 spectrometer_2 Bruker Avance . 800 'For Ca/Cb CS assignment.' . . 26863 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26863 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26863 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2_15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26863 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26863 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2_15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26863 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26863 _Chem_shift_reference.ID 1 _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 na indirect 0.251449530 . . . . . 26863 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26863 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 26863 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26863 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 26863 1 3 '3D CBCA(CO)NH' . . . 26863 1 4 '3D HNCACB' . . . 26863 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 5 5 PRO CA C 13 63.18 0.3 . 1 . . . . 1096 PRO CA . 26863 1 2 . 1 1 5 5 PRO CB C 13 31.64 0.3 . 1 . . . . 1096 PRO CB . 26863 1 3 . 1 1 6 6 GLY H H 1 8.81 . . 1 . . . . 1097 GLY H . 26863 1 4 . 1 1 6 6 GLY CA C 13 46.13 0.3 . 1 . . . . 1097 GLY CA . 26863 1 5 . 1 1 6 6 GLY N N 15 111.23 . . 1 . . . . 1097 GLY N . 26863 1 6 . 1 1 7 7 LEU H H 1 7.46 . . 1 . . . . 1098 LEU H . 26863 1 7 . 1 1 7 7 LEU CA C 13 55.49 0.3 . 1 . . . . 1098 LEU CA . 26863 1 8 . 1 1 7 7 LEU CB C 13 42.89 0.3 . 1 . . . . 1098 LEU CB . 26863 1 9 . 1 1 7 7 LEU N N 15 122.27 . . 1 . . . . 1098 LEU N . 26863 1 10 . 1 1 8 8 ARG H H 1 8.93 . . 1 . . . . 1099 ARG H . 26863 1 11 . 1 1 8 8 ARG CA C 13 55.46 0.3 . 1 . . . . 1099 ARG CA . 26863 1 12 . 1 1 8 8 ARG CB C 13 33.48 0.3 . 1 . . . . 1099 ARG CB . 26863 1 13 . 1 1 8 8 ARG N N 15 123.32 . . 1 . . . . 1099 ARG N . 26863 1 14 . 1 1 9 9 GLU H H 1 8.60 . . 1 . . . . 1100 GLU H . 26863 1 15 . 1 1 9 9 GLU CA C 13 54.54 0.3 . 1 . . . . 1100 GLU CA . 26863 1 16 . 1 1 9 9 GLU CB C 13 32.66 0.3 . 1 . . . . 1100 GLU CB . 26863 1 17 . 1 1 9 9 GLU N N 15 123.99 . . 1 . . . . 1100 GLU N . 26863 1 18 . 1 1 10 10 LEU H H 1 9.13 . . 1 . . . . 1101 LEU H . 26863 1 19 . 1 1 10 10 LEU CA C 13 54.36 0.3 . 1 . . . . 1101 LEU CA . 26863 1 20 . 1 1 10 10 LEU CB C 13 44.89 0.3 . 1 . . . . 1101 LEU CB . 26863 1 21 . 1 1 10 10 LEU N N 15 125.99 . . 1 . . . . 1101 LEU N . 26863 1 22 . 1 1 11 11 CYS CA C 13 57.90 0.3 . 1 . . . . 1102 CYS CA . 26863 1 23 . 1 1 11 11 CYS CB C 13 27.69 0.3 . 1 . . . . 1102 CYS CB . 26863 1 24 . 1 1 12 12 ILE H H 1 9.38 . . 1 . . . . 1103 ILE H . 26863 1 25 . 1 1 12 12 ILE CA C 13 59.82 0.3 . 1 . . . . 1103 ILE CA . 26863 1 26 . 1 1 12 12 ILE CB C 13 40.52 0.3 . 1 . . . . 1103 ILE CB . 26863 1 27 . 1 1 12 12 ILE N N 15 130.33 . . 1 . . . . 1103 ILE N . 26863 1 28 . 1 1 13 13 GLN H H 1 8.68 . . 1 . . . . 1104 GLN H . 26863 1 29 . 1 1 13 13 GLN CA C 13 54.90 0.3 . 1 . . . . 1104 GLN CA . 26863 1 30 . 1 1 13 13 GLN CB C 13 30.03 0.3 . 1 . . . . 1104 GLN CB . 26863 1 31 . 1 1 13 13 GLN N N 15 126.65 . . 1 . . . . 1104 GLN N . 26863 1 32 . 1 1 14 14 LYS H H 1 8.72 . . 1 . . . . 1105 LYS H . 26863 1 33 . 1 1 14 14 LYS CA C 13 55.00 0.3 . 1 . . . . 1105 LYS CA . 26863 1 34 . 1 1 14 14 LYS CB C 13 35.03 0.3 . 1 . . . . 1105 LYS CB . 26863 1 35 . 1 1 14 14 LYS N N 15 123.68 . . 1 . . . . 1105 LYS N . 26863 1 36 . 1 1 15 15 ALA H H 1 9.13 . . 1 . . . . 1106 ALA H . 26863 1 37 . 1 1 15 15 ALA CA C 13 50.27 0.3 . 1 . . . . 1106 ALA CA . 26863 1 38 . 1 1 15 15 ALA CB C 13 17.19 0.3 . 1 . . . . 1106 ALA CB . 26863 1 39 . 1 1 15 15 ALA N N 15 128.25 . . 1 . . . . 1106 ALA N . 26863 1 40 . 1 1 16 16 PRO CA C 13 64.54 0.3 . 1 . . . . 1107 PRO CA . 26863 1 41 . 1 1 16 16 PRO CB C 13 31.22 0.3 . 1 . . . . 1107 PRO CB . 26863 1 42 . 1 1 17 17 GLY H H 1 8.77 . . 1 . . . . 1108 GLY H . 26863 1 43 . 1 1 17 17 GLY CA C 13 45.66 0.3 . 1 . . . . 1108 GLY CA . 26863 1 44 . 1 1 17 17 GLY N N 15 111.86 . . 1 . . . . 1108 GLY N . 26863 1 45 . 1 1 18 18 GLU H H 1 7.98 . . 1 . . . . 1109 GLU H . 26863 1 46 . 1 1 18 18 GLU CA C 13 55.64 0.3 . 1 . . . . 1109 GLU CA . 26863 1 47 . 1 1 18 18 GLU CB C 13 32.21 0.3 . 1 . . . . 1109 GLU CB . 26863 1 48 . 1 1 18 18 GLU N N 15 122.47 . . 1 . . . . 1109 GLU N . 26863 1 49 . 1 1 19 19 ARG H H 1 8.70 . . 1 . . . . 1110 ARG H . 26863 1 50 . 1 1 19 19 ARG CA C 13 55.24 0.3 . 1 . . . . 1110 ARG CA . 26863 1 51 . 1 1 19 19 ARG CB C 13 30.94 0.3 . 1 . . . . 1110 ARG CB . 26863 1 52 . 1 1 19 19 ARG N N 15 123.47 . . 1 . . . . 1110 ARG N . 26863 1 53 . 1 1 20 20 LEU H H 1 9.14 . . 1 . . . . 1111 LEU H . 26863 1 54 . 1 1 20 20 LEU CA C 13 58.20 0.3 . 1 . . . . 1111 LEU CA . 26863 1 55 . 1 1 20 20 LEU CB C 13 41.75 0.3 . 1 . . . . 1111 LEU CB . 26863 1 56 . 1 1 20 20 LEU N N 15 123.27 . . 1 . . . . 1111 LEU N . 26863 1 57 . 1 1 21 21 GLY H H 1 8.71 . . 1 . . . . 1112 GLY H . 26863 1 58 . 1 1 21 21 GLY CA C 13 47.32 0.3 . 1 . . . . 1112 GLY CA . 26863 1 59 . 1 1 21 21 GLY N N 15 104.19 . . 1 . . . . 1112 GLY N . 26863 1 60 . 1 1 22 22 ILE H H 1 7.67 . . 1 . . . . 1113 ILE H . 26863 1 61 . 1 1 22 22 ILE CA C 13 59.79 0.3 . 1 . . . . 1113 ILE CA . 26863 1 62 . 1 1 22 22 ILE CB C 13 41.44 0.3 . 1 . . . . 1113 ILE CB . 26863 1 63 . 1 1 22 22 ILE N N 15 115.26 . . 1 . . . . 1113 ILE N . 26863 1 64 . 1 1 23 23 SER H H 1 8.68 . . 1 . . . . 1114 SER H . 26863 1 65 . 1 1 23 23 SER CA C 13 57.59 0.3 . 1 . . . . 1114 SER CA . 26863 1 66 . 1 1 23 23 SER CB C 13 63.95 0.3 . 1 . . . . 1114 SER CB . 26863 1 67 . 1 1 23 23 SER N N 15 120.94 . . 1 . . . . 1114 SER N . 26863 1 68 . 1 1 24 24 ILE H H 1 8.97 . . 1 . . . . 1115 ILE H . 26863 1 69 . 1 1 24 24 ILE CA C 13 59.06 0.3 . 1 . . . . 1115 ILE CA . 26863 1 70 . 1 1 24 24 ILE CB C 13 42.97 0.3 . 1 . . . . 1115 ILE CB . 26863 1 71 . 1 1 24 24 ILE N N 15 117.25 . . 1 . . . . 1115 ILE N . 26863 1 72 . 1 1 25 25 ARG H H 1 9.38 . . 1 . . . . 1116 ARG H . 26863 1 73 . 1 1 25 25 ARG CA C 13 54.17 0.3 . 1 . . . . 1116 ARG CA . 26863 1 74 . 1 1 25 25 ARG CB C 13 33.98 0.3 . 1 . . . . 1116 ARG CB . 26863 1 75 . 1 1 25 25 ARG N N 15 119.75 . . 1 . . . . 1116 ARG N . 26863 1 76 . 1 1 26 26 GLY H H 1 8.76 . . 1 . . . . 1117 GLY H . 26863 1 77 . 1 1 26 26 GLY CA C 13 44.20 0.3 . 1 . . . . 1117 GLY CA . 26863 1 78 . 1 1 26 26 GLY N N 15 109.75 . . 1 . . . . 1117 GLY N . 26863 1 79 . 1 1 27 27 GLY H H 1 7.39 . . 1 . . . . 1118 GLY H . 26863 1 80 . 1 1 27 27 GLY CA C 13 44.09 0.3 . 1 . . . . 1118 GLY CA . 26863 1 81 . 1 1 27 27 GLY N N 15 106.82 . . 1 . . . . 1118 GLY N . 26863 1 82 . 1 1 28 28 ALA CA C 13 52.81 0.3 . 1 . . . . 1119 ALA CA . 26863 1 83 . 1 1 28 28 ALA CB C 13 19.49 0.3 . 1 . . . . 1119 ALA CB . 26863 1 84 . 1 1 29 29 ARG H H 1 8.84 . . 1 . . . . 1120 ARG H . 26863 1 85 . 1 1 29 29 ARG CA C 13 56.80 0.3 . 1 . . . . 1120 ARG CA . 26863 1 86 . 1 1 29 29 ARG CB C 13 30.03 0.3 . 1 . . . . 1120 ARG CB . 26863 1 87 . 1 1 29 29 ARG N N 15 119.59 . . 1 . . . . 1120 ARG N . 26863 1 88 . 1 1 30 30 GLY H H 1 8.19 . . 1 . . . . 1121 GLY H . 26863 1 89 . 1 1 30 30 GLY CA C 13 45.26 0.3 . 1 . . . . 1121 GLY CA . 26863 1 90 . 1 1 30 30 GLY N N 15 107.92 . . 1 . . . . 1121 GLY N . 26863 1 91 . 1 1 31 31 HIS CA C 13 55.36 0.3 . 1 . . . . 1122 HIS CA . 26863 1 92 . 1 1 31 31 HIS CB C 13 29.15 0.3 . 1 . . . . 1122 HIS CB . 26863 1 93 . 1 1 32 32 ALA H H 1 8.44 . . 1 . . . . 1123 ALA H . 26863 1 94 . 1 1 32 32 ALA CA C 13 52.94 0.3 . 1 . . . . 1123 ALA CA . 26863 1 95 . 1 1 32 32 ALA CB C 13 19.11 0.3 . 1 . . . . 1123 ALA CB . 26863 1 96 . 1 1 32 32 ALA N N 15 124.67 . . 1 . . . . 1123 ALA N . 26863 1 97 . 1 1 33 33 GLY H H 1 8.72 . . 1 . . . . 1124 GLY H . 26863 1 98 . 1 1 33 33 GLY CA C 13 45.63 0.3 . 1 . . . . 1124 GLY CA . 26863 1 99 . 1 1 33 33 GLY N N 15 109.49 . . 1 . . . . 1124 GLY N . 26863 1 100 . 1 1 34 34 ASN H H 1 8.47 . . 1 . . . . 1125 ASN H . 26863 1 101 . 1 1 34 34 ASN CA C 13 50.33 0.3 . 1 . . . . 1125 ASN CA . 26863 1 102 . 1 1 34 34 ASN CB C 13 38.84 0.3 . 1 . . . . 1125 ASN CB . 26863 1 103 . 1 1 34 34 ASN N N 15 119.33 . . 1 . . . . 1125 ASN N . 26863 1 104 . 1 1 35 35 PRO CA C 13 63.76 0.3 . 1 . . . . 1126 PRO CA . 26863 1 105 . 1 1 35 35 PRO CB C 13 31.91 0.3 . 1 . . . . 1126 PRO CB . 26863 1 106 . 1 1 36 36 ARG H H 1 8.08 . . 1 . . . . 1127 ARG H . 26863 1 107 . 1 1 36 36 ARG CA C 13 56.07 0.3 . 1 . . . . 1127 ARG CA . 26863 1 108 . 1 1 36 36 ARG CB C 13 30.79 0.3 . 1 . . . . 1127 ARG CB . 26863 1 109 . 1 1 36 36 ARG N N 15 117.43 . . 1 . . . . 1127 ARG N . 26863 1 110 . 1 1 37 37 ASP H H 1 7.76 . . 1 . . . . 1128 ASP H . 26863 1 111 . 1 1 37 37 ASP CA C 13 51.76 0.3 . 1 . . . . 1128 ASP CA . 26863 1 112 . 1 1 37 37 ASP CB C 13 41.10 0.3 . 1 . . . . 1128 ASP CB . 26863 1 113 . 1 1 37 37 ASP N N 15 119.28 . . 1 . . . . 1128 ASP N . 26863 1 114 . 1 1 38 38 PRO CA C 13 63.70 0.3 . 1 . . . . 1129 PRO CA . 26863 1 115 . 1 1 38 38 PRO CB C 13 31.97 0.3 . 1 . . . . 1129 PRO CB . 26863 1 116 . 1 1 39 39 THR H H 1 8.28 . . 1 . . . . 1130 THR H . 26863 1 117 . 1 1 39 39 THR CA C 13 62.43 0.3 . 1 . . . . 1130 THR CA . 26863 1 118 . 1 1 39 39 THR CB C 13 69.55 0.3 . 1 . . . . 1130 THR CB . 26863 1 119 . 1 1 39 39 THR N N 15 112.02 . . 1 . . . . 1130 THR N . 26863 1 120 . 1 1 40 40 ASP H H 1 7.91 . . 1 . . . . 1131 ASP H . 26863 1 121 . 1 1 40 40 ASP CA C 13 54.38 0.3 . 1 . . . . 1131 ASP CA . 26863 1 122 . 1 1 40 40 ASP CB C 13 41.78 0.3 . 1 . . . . 1131 ASP CB . 26863 1 123 . 1 1 40 40 ASP N N 15 122.65 . . 1 . . . . 1131 ASP N . 26863 1 124 . 1 1 41 41 GLU H H 1 8.57 . . 1 . . . . 1132 GLU H . 26863 1 125 . 1 1 41 41 GLU CA C 13 56.50 0.3 . 1 . . . . 1132 GLU CA . 26863 1 126 . 1 1 41 41 GLU CB C 13 30.05 0.3 . 1 . . . . 1132 GLU CB . 26863 1 127 . 1 1 41 41 GLU N N 15 124.32 . . 1 . . . . 1132 GLU N . 26863 1 128 . 1 1 42 42 GLY H H 1 8.64 . . 1 . . . . 1133 GLY H . 26863 1 129 . 1 1 42 42 GLY CA C 13 44.90 0.3 . 1 . . . . 1133 GLY CA . 26863 1 130 . 1 1 42 42 GLY N N 15 107.85 . . 1 . . . . 1133 GLY N . 26863 1 131 . 1 1 43 43 ILE H H 1 8.36 . . 1 . . . . 1134 ILE H . 26863 1 132 . 1 1 43 43 ILE CA C 13 59.32 0.3 . 1 . . . . 1134 ILE CA . 26863 1 133 . 1 1 43 43 ILE CB C 13 37.89 0.3 . 1 . . . . 1134 ILE CB . 26863 1 134 . 1 1 43 43 ILE N N 15 119.38 . . 1 . . . . 1134 ILE N . 26863 1 135 . 1 1 44 44 PHE H H 1 8.84 . . 1 . . . . 1135 PHE H . 26863 1 136 . 1 1 44 44 PHE CA C 13 55.01 0.3 . 1 . . . . 1135 PHE CA . 26863 1 137 . 1 1 44 44 PHE CB C 13 43.34 0.3 . 1 . . . . 1135 PHE CB . 26863 1 138 . 1 1 44 44 PHE N N 15 123.33 . . 1 . . . . 1135 PHE N . 26863 1 139 . 1 1 45 45 ILE H H 1 8.92 . . 1 . . . . 1136 ILE H . 26863 1 140 . 1 1 45 45 ILE CA C 13 62.49 0.3 . 1 . . . . 1136 ILE CA . 26863 1 141 . 1 1 45 45 ILE CB C 13 37.28 0.3 . 1 . . . . 1136 ILE CB . 26863 1 142 . 1 1 45 45 ILE N N 15 120.25 . . 1 . . . . 1136 ILE N . 26863 1 143 . 1 1 46 46 SER H H 1 9.67 . . 1 . . . . 1137 SER H . 26863 1 144 . 1 1 46 46 SER CA C 13 58.44 0.3 . 1 . . . . 1137 SER CA . 26863 1 145 . 1 1 46 46 SER CB C 13 64.93 0.3 . 1 . . . . 1137 SER CB . 26863 1 146 . 1 1 46 46 SER N N 15 126.60 . . 1 . . . . 1137 SER N . 26863 1 147 . 1 1 47 47 LYS H H 1 7.27 . . 1 . . . . 1138 LYS H . 26863 1 148 . 1 1 47 47 LYS CA C 13 57.24 0.3 . 1 . . . . 1138 LYS CA . 26863 1 149 . 1 1 47 47 LYS CB C 13 36.58 0.3 . 1 . . . . 1138 LYS CB . 26863 1 150 . 1 1 47 47 LYS N N 15 123.45 . . 1 . . . . 1138 LYS N . 26863 1 151 . 1 1 48 48 VAL H H 1 8.64 . . 1 . . . . 1139 VAL H . 26863 1 152 . 1 1 48 48 VAL CA C 13 61.01 0.3 . 1 . . . . 1139 VAL CA . 26863 1 153 . 1 1 48 48 VAL CB C 13 33.93 0.3 . 1 . . . . 1139 VAL CB . 26863 1 154 . 1 1 48 48 VAL N N 15 124.10 . . 1 . . . . 1139 VAL N . 26863 1 155 . 1 1 49 49 SER H H 1 8.74 . . 1 . . . . 1140 SER H . 26863 1 156 . 1 1 49 49 SER CA C 13 56.20 0.3 . 1 . . . . 1140 SER CA . 26863 1 157 . 1 1 49 49 SER CB C 13 63.32 0.3 . 1 . . . . 1140 SER CB . 26863 1 158 . 1 1 49 49 SER N N 15 123.35 . . 1 . . . . 1140 SER N . 26863 1 159 . 1 1 50 50 PRO CA C 13 64.79 0.3 . 1 . . . . 1141 PRO CA . 26863 1 160 . 1 1 50 50 PRO CB C 13 32.16 0.3 . 1 . . . . 1141 PRO CB . 26863 1 161 . 1 1 51 51 THR H H 1 7.49 . . 1 . . . . 1142 THR H . 26863 1 162 . 1 1 51 51 THR CA C 13 60.88 0.3 . 1 . . . . 1142 THR CA . 26863 1 163 . 1 1 51 51 THR CB C 13 69.18 0.3 . 1 . . . . 1142 THR CB . 26863 1 164 . 1 1 51 51 THR N N 15 103.82 . . 1 . . . . 1142 THR N . 26863 1 165 . 1 1 52 52 GLY H H 1 7.18 . . 1 . . . . 1143 GLY H . 26863 1 166 . 1 1 52 52 GLY CA C 13 44.60 0.3 . 1 . . . . 1143 GLY CA . 26863 1 167 . 1 1 52 52 GLY N N 15 109.65 . . 1 . . . . 1143 GLY N . 26863 1 168 . 1 1 53 53 ALA H H 1 8.83 . . 1 . . . . 1144 ALA H . 26863 1 169 . 1 1 53 53 ALA CA C 13 55.26 0.3 . 1 . . . . 1144 ALA CA . 26863 1 170 . 1 1 53 53 ALA CB C 13 19.88 0.3 . 1 . . . . 1144 ALA CB . 26863 1 171 . 1 1 53 53 ALA N N 15 120.35 . . 1 . . . . 1144 ALA N . 26863 1 172 . 1 1 54 54 ALA H H 1 8.50 . . 1 . . . . 1145 ALA H . 26863 1 173 . 1 1 54 54 ALA CA C 13 55.07 0.3 . 1 . . . . 1145 ALA CA . 26863 1 174 . 1 1 54 54 ALA CB C 13 19.67 0.3 . 1 . . . . 1145 ALA CB . 26863 1 175 . 1 1 54 54 ALA N N 15 117.83 . . 1 . . . . 1145 ALA N . 26863 1 176 . 1 1 55 55 GLY H H 1 9.24 . . 1 . . . . 1146 GLY H . 26863 1 177 . 1 1 55 55 GLY CA C 13 46.71 0.3 . 1 . . . . 1146 GLY CA . 26863 1 178 . 1 1 55 55 GLY N N 15 112.83 . . 1 . . . . 1146 GLY N . 26863 1 179 . 1 1 56 56 ARG H H 1 8.13 . . 1 . . . . 1147 ARG H . 26863 1 180 . 1 1 56 56 ARG CA C 13 59.17 0.3 . 1 . . . . 1147 ARG CA . 26863 1 181 . 1 1 56 56 ARG CB C 13 30.03 0.3 . 1 . . . . 1147 ARG CB . 26863 1 182 . 1 1 56 56 ARG N N 15 121.87 . . 1 . . . . 1147 ARG N . 26863 1 183 . 1 1 57 57 ASP H H 1 7.76 . . 1 . . . . 1148 ASP H . 26863 1 184 . 1 1 57 57 ASP CA C 13 57.32 0.3 . 1 . . . . 1148 ASP CA . 26863 1 185 . 1 1 57 57 ASP CB C 13 43.52 0.3 . 1 . . . . 1148 ASP CB . 26863 1 186 . 1 1 57 57 ASP N N 15 118.75 . . 1 . . . . 1148 ASP N . 26863 1 187 . 1 1 58 58 GLY H H 1 7.59 . . 1 . . . . 1149 GLY H . 26863 1 188 . 1 1 58 58 GLY CA C 13 46.47 0.3 . 1 . . . . 1149 GLY CA . 26863 1 189 . 1 1 58 58 GLY N N 15 102.72 . . 1 . . . . 1149 GLY N . 26863 1 190 . 1 1 59 59 ARG H H 1 7.99 . . 1 . . . . 1150 ARG H . 26863 1 191 . 1 1 59 59 ARG CA C 13 58.24 0.3 . 1 . . . . 1150 ARG CA . 26863 1 192 . 1 1 59 59 ARG CB C 13 32.27 0.3 . 1 . . . . 1150 ARG CB . 26863 1 193 . 1 1 59 59 ARG N N 15 119.22 . . 1 . . . . 1150 ARG N . 26863 1 194 . 1 1 60 60 LEU H H 1 9.13 . . 1 . . . . 1151 LEU H . 26863 1 195 . 1 1 60 60 LEU CA C 13 54.79 0.3 . 1 . . . . 1151 LEU CA . 26863 1 196 . 1 1 60 60 LEU CB C 13 42.66 0.3 . 1 . . . . 1151 LEU CB . 26863 1 197 . 1 1 60 60 LEU N N 15 119.47 . . 1 . . . . 1151 LEU N . 26863 1 198 . 1 1 61 61 ARG H H 1 6.34 . . 1 . . . . 1152 ARG H . 26863 1 199 . 1 1 61 61 ARG CA C 13 53.54 0.3 . 1 . . . . 1152 ARG CA . 26863 1 200 . 1 1 61 61 ARG CB C 13 33.37 0.3 . 1 . . . . 1152 ARG CB . 26863 1 201 . 1 1 61 61 ARG N N 15 115.19 . . 1 . . . . 1152 ARG N . 26863 1 202 . 1 1 62 62 VAL CA C 13 64.66 0.3 . 1 . . . . 1153 VAL CA . 26863 1 203 . 1 1 62 62 VAL CB C 13 31.82 0.3 . 1 . . . . 1153 VAL CB . 26863 1 204 . 1 1 63 63 GLY H H 1 8.98 . . 1 . . . . 1154 GLY H . 26863 1 205 . 1 1 63 63 GLY CA C 13 44.43 0.3 . 1 . . . . 1154 GLY CA . 26863 1 206 . 1 1 63 63 GLY N N 15 114.69 . . 1 . . . . 1154 GLY N . 26863 1 207 . 1 1 64 64 LEU H H 1 6.99 . . 1 . . . . 1155 LEU H . 26863 1 208 . 1 1 64 64 LEU CA C 13 55.42 0.3 . 1 . . . . 1155 LEU CA . 26863 1 209 . 1 1 64 64 LEU CB C 13 42.55 0.3 . 1 . . . . 1155 LEU CB . 26863 1 210 . 1 1 64 64 LEU N N 15 116.51 . . 1 . . . . 1155 LEU N . 26863 1 211 . 1 1 65 65 ARG CA C 13 55.31 0.3 . 1 . . . . 1156 ARG CA . 26863 1 212 . 1 1 65 65 ARG CB C 13 31.95 0.3 . 1 . . . . 1156 ARG CB . 26863 1 213 . 1 1 66 66 LEU H H 1 8.52 . . 1 . . . . 1157 LEU H . 26863 1 214 . 1 1 66 66 LEU CA C 13 53.82 0.3 . 1 . . . . 1157 LEU CA . 26863 1 215 . 1 1 66 66 LEU CB C 13 44.03 0.3 . 1 . . . . 1157 LEU CB . 26863 1 216 . 1 1 66 66 LEU N N 15 126.60 . . 1 . . . . 1157 LEU N . 26863 1 217 . 1 1 67 67 LEU H H 1 8.86 . . 1 . . . . 1158 LEU H . 26863 1 218 . 1 1 67 67 LEU CA C 13 55.99 0.3 . 1 . . . . 1158 LEU CA . 26863 1 219 . 1 1 67 67 LEU CB C 13 44.21 0.3 . 1 . . . . 1158 LEU CB . 26863 1 220 . 1 1 67 67 LEU N N 15 122.92 . . 1 . . . . 1158 LEU N . 26863 1 221 . 1 1 68 68 GLU H H 1 7.55 . . 1 . . . . 1159 GLU H . 26863 1 222 . 1 1 68 68 GLU CA C 13 55.50 0.3 . 1 . . . . 1159 GLU CA . 26863 1 223 . 1 1 68 68 GLU CB C 13 35.33 0.3 . 1 . . . . 1159 GLU CB . 26863 1 224 . 1 1 68 68 GLU N N 15 116.43 . . 1 . . . . 1159 GLU N . 26863 1 225 . 1 1 69 69 VAL H H 1 8.27 . . 1 . . . . 1160 VAL H . 26863 1 226 . 1 1 69 69 VAL CA C 13 60.99 0.3 . 1 . . . . 1160 VAL CA . 26863 1 227 . 1 1 69 69 VAL CB C 13 34.87 0.3 . 1 . . . . 1160 VAL CB . 26863 1 228 . 1 1 69 69 VAL N N 15 120.08 . . 1 . . . . 1160 VAL N . 26863 1 229 . 1 1 70 70 ASN H H 1 9.97 . . 1 . . . . 1161 ASN H . 26863 1 230 . 1 1 70 70 ASN CA C 13 54.24 0.3 . 1 . . . . 1161 ASN CA . 26863 1 231 . 1 1 70 70 ASN CB C 13 36.51 0.3 . 1 . . . . 1161 ASN CB . 26863 1 232 . 1 1 70 70 ASN N N 15 129.66 . . 1 . . . . 1161 ASN N . 26863 1 233 . 1 1 71 71 GLN H H 1 9.20 . . 1 . . . . 1162 GLN H . 26863 1 234 . 1 1 71 71 GLN CA C 13 57.96 0.3 . 1 . . . . 1162 GLN CA . 26863 1 235 . 1 1 71 71 GLN CB C 13 26.31 0.3 . 1 . . . . 1162 GLN CB . 26863 1 236 . 1 1 71 71 GLN N N 15 107.65 . . 1 . . . . 1162 GLN N . 26863 1 237 . 1 1 72 72 GLN H H 1 7.91 . . 1 . . . . 1163 GLN H . 26863 1 238 . 1 1 72 72 GLN CA C 13 54.10 0.3 . 1 . . . . 1163 GLN CA . 26863 1 239 . 1 1 72 72 GLN CB C 13 29.25 0.3 . 1 . . . . 1163 GLN CB . 26863 1 240 . 1 1 72 72 GLN N N 15 111.92 . . 1 . . . . 1163 GLN N . 26863 1 241 . 1 1 73 73 SER H H 1 8.70 . . 1 . . . . 1164 SER H . 26863 1 242 . 1 1 73 73 SER CA C 13 58.50 0.3 . 1 . . . . 1164 SER CA . 26863 1 243 . 1 1 73 73 SER CB C 13 63.45 0.3 . 1 . . . . 1164 SER CB . 26863 1 244 . 1 1 73 73 SER N N 15 118.28 . . 1 . . . . 1164 SER N . 26863 1 245 . 1 1 74 74 LEU H H 1 8.03 . . 1 . . . . 1165 LEU H . 26863 1 246 . 1 1 74 74 LEU CA C 13 54.91 0.3 . 1 . . . . 1165 LEU CA . 26863 1 247 . 1 1 74 74 LEU CB C 13 40.67 0.3 . 1 . . . . 1165 LEU CB . 26863 1 248 . 1 1 74 74 LEU N N 15 125.02 . . 1 . . . . 1165 LEU N . 26863 1 249 . 1 1 75 75 LEU H H 1 8.07 . . 1 . . . . 1166 LEU H . 26863 1 250 . 1 1 75 75 LEU CA C 13 57.03 0.3 . 1 . . . . 1166 LEU CA . 26863 1 251 . 1 1 75 75 LEU CB C 13 40.94 0.3 . 1 . . . . 1166 LEU CB . 26863 1 252 . 1 1 75 75 LEU N N 15 123.17 . . 1 . . . . 1166 LEU N . 26863 1 253 . 1 1 76 76 GLY H H 1 8.77 . . 1 . . . . 1167 GLY H . 26863 1 254 . 1 1 76 76 GLY CA C 13 45.67 0.3 . 1 . . . . 1167 GLY CA . 26863 1 255 . 1 1 76 76 GLY N N 15 113.90 . . 1 . . . . 1167 GLY N . 26863 1 256 . 1 1 77 77 LEU H H 1 7.70 . . 1 . . . . 1168 LEU H . 26863 1 257 . 1 1 77 77 LEU CA C 13 55.34 0.3 . 1 . . . . 1168 LEU CA . 26863 1 258 . 1 1 77 77 LEU CB C 13 41.61 0.3 . 1 . . . . 1168 LEU CB . 26863 1 259 . 1 1 77 77 LEU N N 15 120.30 . . 1 . . . . 1168 LEU N . 26863 1 260 . 1 1 78 78 THR H H 1 8.96 . . 1 . . . . 1169 THR H . 26863 1 261 . 1 1 78 78 THR CA C 13 60.86 0.3 . 1 . . . . 1169 THR CA . 26863 1 262 . 1 1 78 78 THR CB C 13 71.70 0.3 . 1 . . . . 1169 THR CB . 26863 1 263 . 1 1 78 78 THR N N 15 112.43 . . 1 . . . . 1169 THR N . 26863 1 264 . 1 1 79 79 HIS H H 1 9.51 . . 1 . . . . 1170 HIS H . 26863 1 265 . 1 1 79 79 HIS CA C 13 61.26 0.3 . 1 . . . . 1170 HIS CA . 26863 1 266 . 1 1 79 79 HIS CB C 13 29.24 0.3 . 1 . . . . 1170 HIS CB . 26863 1 267 . 1 1 79 79 HIS N N 15 120.47 . . 1 . . . . 1170 HIS N . 26863 1 268 . 1 1 80 80 GLY H H 1 8.92 . . 1 . . . . 1171 GLY H . 26863 1 269 . 1 1 80 80 GLY CA C 13 47.10 0.3 . 1 . . . . 1171 GLY CA . 26863 1 270 . 1 1 80 80 GLY N N 15 104.20 . . 1 . . . . 1171 GLY N . 26863 1 271 . 1 1 81 81 GLU H H 1 7.78 . . 1 . . . . 1172 GLU H . 26863 1 272 . 1 1 81 81 GLU CA C 13 58.97 0.3 . 1 . . . . 1172 GLU CA . 26863 1 273 . 1 1 81 81 GLU CB C 13 30.69 0.3 . 1 . . . . 1172 GLU CB . 26863 1 274 . 1 1 81 81 GLU N N 15 121.96 . . 1 . . . . 1172 GLU N . 26863 1 275 . 1 1 82 82 ALA CA C 13 55.38 0.3 . 1 . . . . 1173 ALA CA . 26863 1 276 . 1 1 82 82 ALA CB C 13 18.51 0.3 . 1 . . . . 1173 ALA CB . 26863 1 277 . 1 1 83 83 VAL H H 1 8.44 . . 1 . . . . 1174 VAL H . 26863 1 278 . 1 1 83 83 VAL CA C 13 66.84 0.3 . 1 . . . . 1174 VAL CA . 26863 1 279 . 1 1 83 83 VAL CB C 13 31.77 0.3 . 1 . . . . 1174 VAL CB . 26863 1 280 . 1 1 83 83 VAL N N 15 117.99 . . 1 . . . . 1174 VAL N . 26863 1 281 . 1 1 84 84 GLN H H 1 7.61 . . 1 . . . . 1175 GLN H . 26863 1 282 . 1 1 84 84 GLN CA C 13 58.56 0.3 . 1 . . . . 1175 GLN CA . 26863 1 283 . 1 1 84 84 GLN CB C 13 28.22 0.3 . 1 . . . . 1175 GLN CB . 26863 1 284 . 1 1 84 84 GLN N N 15 118.20 . . 1 . . . . 1175 GLN N . 26863 1 285 . 1 1 85 85 LEU H H 1 7.66 . . 1 . . . . 1176 LEU H . 26863 1 286 . 1 1 85 85 LEU CA C 13 58.16 0.3 . 1 . . . . 1176 LEU CA . 26863 1 287 . 1 1 85 85 LEU CB C 13 41.67 0.3 . 1 . . . . 1176 LEU CB . 26863 1 288 . 1 1 85 85 LEU N N 15 120.54 . . 1 . . . . 1176 LEU N . 26863 1 289 . 1 1 86 86 LEU H H 1 7.81 . . 1 . . . . 1177 LEU H . 26863 1 290 . 1 1 86 86 LEU CA C 13 57.64 0.3 . 1 . . . . 1177 LEU CA . 26863 1 291 . 1 1 86 86 LEU CB C 13 41.47 0.3 . 1 . . . . 1177 LEU CB . 26863 1 292 . 1 1 86 86 LEU N N 15 118.91 . . 1 . . . . 1177 LEU N . 26863 1 293 . 1 1 87 87 ARG H H 1 7.90 . . 1 . . . . 1178 ARG H . 26863 1 294 . 1 1 87 87 ARG CA C 13 57.55 0.3 . 1 . . . . 1178 ARG CA . 26863 1 295 . 1 1 87 87 ARG CB C 13 30.44 0.3 . 1 . . . . 1178 ARG CB . 26863 1 296 . 1 1 87 87 ARG N N 15 117.45 . . 1 . . . . 1178 ARG N . 26863 1 297 . 1 1 88 88 SER CA C 13 59.09 0.3 . 1 . . . . 1179 SER CA . 26863 1 298 . 1 1 88 88 SER CB C 13 64.19 0.3 . 1 . . . . 1179 SER CB . 26863 1 299 . 1 1 89 89 VAL H H 1 7.35 . . 1 . . . . 1180 VAL H . 26863 1 300 . 1 1 89 89 VAL CA C 13 62.63 0.3 . 1 . . . . 1180 VAL CA . 26863 1 301 . 1 1 89 89 VAL CB C 13 32.38 0.3 . 1 . . . . 1180 VAL CB . 26863 1 302 . 1 1 89 89 VAL N N 15 118.79 . . 1 . . . . 1180 VAL N . 26863 1 303 . 1 1 90 90 GLY H H 1 8.72 . . 1 . . . . 1181 GLY H . 26863 1 304 . 1 1 90 90 GLY CA C 13 44.73 0.3 . 1 . . . . 1181 GLY CA . 26863 1 305 . 1 1 90 90 GLY N N 15 113.05 . . 1 . . . . 1181 GLY N . 26863 1 306 . 1 1 91 91 ASP H H 1 8.39 . . 1 . . . . 1182 ASP H . 26863 1 307 . 1 1 91 91 ASP CA C 13 55.83 0.3 . 1 . . . . 1182 ASP CA . 26863 1 308 . 1 1 91 91 ASP CB C 13 40.97 0.3 . 1 . . . . 1182 ASP CB . 26863 1 309 . 1 1 91 91 ASP N N 15 120.34 . . 1 . . . . 1182 ASP N . 26863 1 310 . 1 1 92 92 THR CA C 13 61.22 0.3 . 1 . . . . 1183 THR CA . 26863 1 311 . 1 1 92 92 THR CB C 13 71.42 0.3 . 1 . . . . 1183 THR CB . 26863 1 312 . 1 1 93 93 LEU H H 1 9.05 . . 1 . . . . 1184 LEU H . 26863 1 313 . 1 1 93 93 LEU CA C 13 54.08 0.3 . 1 . . . . 1184 LEU CA . 26863 1 314 . 1 1 93 93 LEU CB C 13 44.35 0.3 . 1 . . . . 1184 LEU CB . 26863 1 315 . 1 1 93 93 LEU N N 15 126.61 . . 1 . . . . 1184 LEU N . 26863 1 316 . 1 1 94 94 THR H H 1 8.83 . . 1 . . . . 1185 THR H . 26863 1 317 . 1 1 94 94 THR CA C 13 61.05 0.3 . 1 . . . . 1185 THR CA . 26863 1 318 . 1 1 94 94 THR CB C 13 69.98 0.3 . 1 . . . . 1185 THR CB . 26863 1 319 . 1 1 94 94 THR N N 15 120.86 . . 1 . . . . 1185 THR N . 26863 1 320 . 1 1 95 95 VAL H H 1 9.22 . . 1 . . . . 1186 VAL H . 26863 1 321 . 1 1 95 95 VAL CA C 13 58.24 0.3 . 1 . . . . 1186 VAL CA . 26863 1 322 . 1 1 95 95 VAL CB C 13 34.75 0.3 . 1 . . . . 1186 VAL CB . 26863 1 323 . 1 1 95 95 VAL N N 15 119.72 . . 1 . . . . 1186 VAL N . 26863 1 324 . 1 1 96 96 LEU H H 1 8.21 . . 1 . . . . 1187 LEU H . 26863 1 325 . 1 1 96 96 LEU CA C 13 53.96 0.3 . 1 . . . . 1187 LEU CA . 26863 1 326 . 1 1 96 96 LEU CB C 13 44.78 0.3 . 1 . . . . 1187 LEU CB . 26863 1 327 . 1 1 96 96 LEU N N 15 126.16 . . 1 . . . . 1187 LEU N . 26863 1 328 . 1 1 97 97 VAL H H 1 9.01 . . 1 . . . . 1188 VAL H . 26863 1 329 . 1 1 97 97 VAL CA C 13 57.99 0.3 . 1 . . . . 1188 VAL CA . 26863 1 330 . 1 1 97 97 VAL CB C 13 36.10 0.3 . 1 . . . . 1188 VAL CB . 26863 1 331 . 1 1 97 97 VAL N N 15 119.38 . . 1 . . . . 1188 VAL N . 26863 1 332 . 1 1 98 98 CYS H H 1 8.67 . . 1 . . . . 1189 CYS H . 26863 1 333 . 1 1 98 98 CYS CA C 13 56.50 0.3 . 1 . . . . 1189 CYS CA . 26863 1 334 . 1 1 98 98 CYS CB C 13 30.82 0.3 . 1 . . . . 1189 CYS CB . 26863 1 335 . 1 1 98 98 CYS N N 15 113.62 . . 1 . . . . 1189 CYS N . 26863 1 336 . 1 1 99 99 ASP CA C 13 55.68 0.3 . 1 . . . . 1190 ASP CA . 26863 1 337 . 1 1 99 99 ASP CB C 13 40.89 0.3 . 1 . . . . 1190 ASP CB . 26863 1 338 . 1 1 100 100 GLY H H 1 8.56 . . 1 . . . . 1191 GLY H . 26863 1 339 . 1 1 100 100 GLY CA C 13 45.61 0.3 . 1 . . . . 1191 GLY CA . 26863 1 340 . 1 1 100 100 GLY N N 15 109.57 . . 1 . . . . 1191 GLY N . 26863 1 stop_ save_