data_17549 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17549 _Entry.Title ; Backbone Resonance Assignment of the von-Willebrand-factor-A-like domain 2 of type VII collagen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-24 _Entry.Accession_date 2011-03-24 _Entry.Last_release_date 2011-03-24 _Entry.Original_release_date 2011-03-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sarah Leineweber . . . . 17549 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17549 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 17549 '15N chemical shifts' 167 17549 '1H chemical shifts' 366 17549 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2018-09-05 2011-03-24 update author 'update author sequence numbering' 17549 2 . . 2011-06-24 2011-03-24 update BMRB 'update entry citation' 17549 1 . . 2011-05-04 2011-03-24 original author 'original release' 17549 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17549 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21570975 _Citation.Full_citation . _Citation.Title ; Insight into interactions of the von-Willebrand-factor-A-like domain 2 with the FNIII-like domain 9 of collagen VII by NMR and SPR. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 585 _Citation.Journal_issue 12 _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 1748 _Citation.Page_last 1752 _Citation.Year 2011 _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 Sarah Leineweber . . . . 17549 1 2 Sarah Schonig . . . . 17549 1 3 Karsten Seeger . . . . 17549 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 17549 1 'domain interactions' 17549 1 'skin structure' 17549 1 'type VII collagen' 17549 1 vWFA2 17549 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17549 _Assembly.ID 1 _Assembly.Name 'mvWFA2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 mvWFA2 1 $mvWFA2 A . yes native no no . . . 17549 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 193 193 SG . . . . . . . . . . . . 17549 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mvWFA2 _Entity.Sf_category entity _Entity.Sf_framecode mvWFA2 _Entity.Entry_ID 17549 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mvWFA2 _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 ; GRAMGACSHGPVDVVFLLHA TRDNAHNAEAVRRVLERLVS ALGPLGPQAAQVGLLTYSHR PSPLFPLNSSHDLGIILRKI RDIPYVDPSGNNLGTAVTTA HRYLLASNAPGRRQQVPGVM VLLVDEPLRGDILSPIREAQ TSGLKVMALSLVGADPEQLR RLAPGTDPIQNFFAVDNGPG LDRAVSDLAVALCQAA ; _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 196 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 -4 GLY . 17549 1 2 -3 ARG . 17549 1 3 -2 ALA . 17549 1 4 -1 MET . 17549 1 5 0 GLY . 17549 1 6 1048 ALA . 17549 1 7 1049 CYS . 17549 1 8 1050 SER . 17549 1 9 1051 HIS . 17549 1 10 1052 GLY . 17549 1 11 1053 PRO . 17549 1 12 1054 VAL . 17549 1 13 1055 ASP . 17549 1 14 1056 VAL . 17549 1 15 1057 VAL . 17549 1 16 1058 PHE . 17549 1 17 1059 LEU . 17549 1 18 1060 LEU . 17549 1 19 1061 HIS . 17549 1 20 1062 ALA . 17549 1 21 1063 THR . 17549 1 22 1064 ARG . 17549 1 23 1065 ASP . 17549 1 24 1066 ASN . 17549 1 25 1067 ALA . 17549 1 26 1068 HIS . 17549 1 27 1069 ASN . 17549 1 28 1070 ALA . 17549 1 29 1071 GLU . 17549 1 30 1072 ALA . 17549 1 31 1073 VAL . 17549 1 32 1074 ARG . 17549 1 33 1075 ARG . 17549 1 34 1076 VAL . 17549 1 35 1077 LEU . 17549 1 36 1078 GLU . 17549 1 37 1079 ARG . 17549 1 38 1080 LEU . 17549 1 39 1081 VAL . 17549 1 40 1082 SER . 17549 1 41 1083 ALA . 17549 1 42 1084 LEU . 17549 1 43 1085 GLY . 17549 1 44 1086 PRO . 17549 1 45 1087 LEU . 17549 1 46 1088 GLY . 17549 1 47 1089 PRO . 17549 1 48 1090 GLN . 17549 1 49 1091 ALA . 17549 1 50 1092 ALA . 17549 1 51 1093 GLN . 17549 1 52 1094 VAL . 17549 1 53 1095 GLY . 17549 1 54 1096 LEU . 17549 1 55 1097 LEU . 17549 1 56 1098 THR . 17549 1 57 1099 TYR . 17549 1 58 1100 SER . 17549 1 59 1101 HIS . 17549 1 60 1102 ARG . 17549 1 61 1103 PRO . 17549 1 62 1104 SER . 17549 1 63 1105 PRO . 17549 1 64 1106 LEU . 17549 1 65 1107 PHE . 17549 1 66 1108 PRO . 17549 1 67 1109 LEU . 17549 1 68 1110 ASN . 17549 1 69 1111 SER . 17549 1 70 1112 SER . 17549 1 71 1113 HIS . 17549 1 72 1114 ASP . 17549 1 73 1115 LEU . 17549 1 74 1116 GLY . 17549 1 75 1117 ILE . 17549 1 76 1118 ILE . 17549 1 77 1119 LEU . 17549 1 78 1120 ARG . 17549 1 79 1121 LYS . 17549 1 80 1122 ILE . 17549 1 81 1123 ARG . 17549 1 82 1124 ASP . 17549 1 83 1125 ILE . 17549 1 84 1126 PRO . 17549 1 85 1127 TYR . 17549 1 86 1128 VAL . 17549 1 87 1129 ASP . 17549 1 88 1130 PRO . 17549 1 89 1131 SER . 17549 1 90 1132 GLY . 17549 1 91 1133 ASN . 17549 1 92 1134 ASN . 17549 1 93 1135 LEU . 17549 1 94 1136 GLY . 17549 1 95 1137 THR . 17549 1 96 1138 ALA . 17549 1 97 1139 VAL . 17549 1 98 1140 THR . 17549 1 99 1141 THR . 17549 1 100 1142 ALA . 17549 1 101 1143 HIS . 17549 1 102 1144 ARG . 17549 1 103 1145 TYR . 17549 1 104 1146 LEU . 17549 1 105 1147 LEU . 17549 1 106 1148 ALA . 17549 1 107 1149 SER . 17549 1 108 1150 ASN . 17549 1 109 1151 ALA . 17549 1 110 1152 PRO . 17549 1 111 1153 GLY . 17549 1 112 1154 ARG . 17549 1 113 1155 ARG . 17549 1 114 1156 GLN . 17549 1 115 1157 GLN . 17549 1 116 1158 VAL . 17549 1 117 1159 PRO . 17549 1 118 1160 GLY . 17549 1 119 1161 VAL . 17549 1 120 1162 MET . 17549 1 121 1163 VAL . 17549 1 122 1164 LEU . 17549 1 123 1165 LEU . 17549 1 124 1166 VAL . 17549 1 125 1167 ASP . 17549 1 126 1168 GLU . 17549 1 127 1169 PRO . 17549 1 128 1170 LEU . 17549 1 129 1171 ARG . 17549 1 130 1172 GLY . 17549 1 131 1173 ASP . 17549 1 132 1174 ILE . 17549 1 133 1175 LEU . 17549 1 134 1176 SER . 17549 1 135 1177 PRO . 17549 1 136 1178 ILE . 17549 1 137 1179 ARG . 17549 1 138 1180 GLU . 17549 1 139 1181 ALA . 17549 1 140 1182 GLN . 17549 1 141 1183 THR . 17549 1 142 1184 SER . 17549 1 143 1185 GLY . 17549 1 144 1186 LEU . 17549 1 145 1187 LYS . 17549 1 146 1188 VAL . 17549 1 147 1189 MET . 17549 1 148 1190 ALA . 17549 1 149 1191 LEU . 17549 1 150 1192 SER . 17549 1 151 1193 LEU . 17549 1 152 1194 VAL . 17549 1 153 1195 GLY . 17549 1 154 1196 ALA . 17549 1 155 1197 ASP . 17549 1 156 1198 PRO . 17549 1 157 1199 GLU . 17549 1 158 1200 GLN . 17549 1 159 1201 LEU . 17549 1 160 1202 ARG . 17549 1 161 1203 ARG . 17549 1 162 1204 LEU . 17549 1 163 1205 ALA . 17549 1 164 1206 PRO . 17549 1 165 1207 GLY . 17549 1 166 1208 THR . 17549 1 167 1209 ASP . 17549 1 168 1210 PRO . 17549 1 169 1211 ILE . 17549 1 170 1212 GLN . 17549 1 171 1213 ASN . 17549 1 172 1214 PHE . 17549 1 173 1215 PHE . 17549 1 174 1216 ALA . 17549 1 175 1217 VAL . 17549 1 176 1218 ASP . 17549 1 177 1219 ASN . 17549 1 178 1220 GLY . 17549 1 179 1221 PRO . 17549 1 180 1222 GLY . 17549 1 181 1223 LEU . 17549 1 182 1224 ASP . 17549 1 183 1225 ARG . 17549 1 184 1226 ALA . 17549 1 185 1227 VAL . 17549 1 186 1228 SER . 17549 1 187 1229 ASP . 17549 1 188 1230 LEU . 17549 1 189 1231 ALA . 17549 1 190 1232 VAL . 17549 1 191 1233 ALA . 17549 1 192 1234 LEU . 17549 1 193 1235 CYS . 17549 1 194 1236 GLN . 17549 1 195 1237 ALA . 17549 1 196 1238 ALA . 17549 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 17549 1 . ARG 2 2 17549 1 . ALA 3 3 17549 1 . MET 4 4 17549 1 . GLY 5 5 17549 1 . ALA 6 6 17549 1 . CYS 7 7 17549 1 . SER 8 8 17549 1 . HIS 9 9 17549 1 . GLY 10 10 17549 1 . PRO 11 11 17549 1 . VAL 12 12 17549 1 . ASP 13 13 17549 1 . VAL 14 14 17549 1 . VAL 15 15 17549 1 . PHE 16 16 17549 1 . LEU 17 17 17549 1 . LEU 18 18 17549 1 . HIS 19 19 17549 1 . ALA 20 20 17549 1 . THR 21 21 17549 1 . ARG 22 22 17549 1 . ASP 23 23 17549 1 . ASN 24 24 17549 1 . ALA 25 25 17549 1 . HIS 26 26 17549 1 . ASN 27 27 17549 1 . ALA 28 28 17549 1 . GLU 29 29 17549 1 . ALA 30 30 17549 1 . VAL 31 31 17549 1 . ARG 32 32 17549 1 . ARG 33 33 17549 1 . VAL 34 34 17549 1 . LEU 35 35 17549 1 . GLU 36 36 17549 1 . ARG 37 37 17549 1 . LEU 38 38 17549 1 . VAL 39 39 17549 1 . SER 40 40 17549 1 . ALA 41 41 17549 1 . LEU 42 42 17549 1 . GLY 43 43 17549 1 . PRO 44 44 17549 1 . LEU 45 45 17549 1 . GLY 46 46 17549 1 . PRO 47 47 17549 1 . GLN 48 48 17549 1 . ALA 49 49 17549 1 . ALA 50 50 17549 1 . GLN 51 51 17549 1 . VAL 52 52 17549 1 . GLY 53 53 17549 1 . LEU 54 54 17549 1 . LEU 55 55 17549 1 . THR 56 56 17549 1 . TYR 57 57 17549 1 . SER 58 58 17549 1 . HIS 59 59 17549 1 . ARG 60 60 17549 1 . PRO 61 61 17549 1 . SER 62 62 17549 1 . PRO 63 63 17549 1 . LEU 64 64 17549 1 . PHE 65 65 17549 1 . PRO 66 66 17549 1 . LEU 67 67 17549 1 . ASN 68 68 17549 1 . SER 69 69 17549 1 . SER 70 70 17549 1 . HIS 71 71 17549 1 . ASP 72 72 17549 1 . LEU 73 73 17549 1 . GLY 74 74 17549 1 . ILE 75 75 17549 1 . ILE 76 76 17549 1 . LEU 77 77 17549 1 . ARG 78 78 17549 1 . LYS 79 79 17549 1 . ILE 80 80 17549 1 . ARG 81 81 17549 1 . ASP 82 82 17549 1 . ILE 83 83 17549 1 . PRO 84 84 17549 1 . TYR 85 85 17549 1 . VAL 86 86 17549 1 . ASP 87 87 17549 1 . PRO 88 88 17549 1 . SER 89 89 17549 1 . GLY 90 90 17549 1 . ASN 91 91 17549 1 . ASN 92 92 17549 1 . LEU 93 93 17549 1 . GLY 94 94 17549 1 . THR 95 95 17549 1 . ALA 96 96 17549 1 . VAL 97 97 17549 1 . THR 98 98 17549 1 . THR 99 99 17549 1 . ALA 100 100 17549 1 . HIS 101 101 17549 1 . ARG 102 102 17549 1 . TYR 103 103 17549 1 . LEU 104 104 17549 1 . LEU 105 105 17549 1 . ALA 106 106 17549 1 . SER 107 107 17549 1 . ASN 108 108 17549 1 . ALA 109 109 17549 1 . PRO 110 110 17549 1 . GLY 111 111 17549 1 . ARG 112 112 17549 1 . ARG 113 113 17549 1 . GLN 114 114 17549 1 . GLN 115 115 17549 1 . VAL 116 116 17549 1 . PRO 117 117 17549 1 . GLY 118 118 17549 1 . VAL 119 119 17549 1 . MET 120 120 17549 1 . VAL 121 121 17549 1 . LEU 122 122 17549 1 . LEU 123 123 17549 1 . VAL 124 124 17549 1 . ASP 125 125 17549 1 . GLU 126 126 17549 1 . PRO 127 127 17549 1 . LEU 128 128 17549 1 . ARG 129 129 17549 1 . GLY 130 130 17549 1 . ASP 131 131 17549 1 . ILE 132 132 17549 1 . LEU 133 133 17549 1 . SER 134 134 17549 1 . PRO 135 135 17549 1 . ILE 136 136 17549 1 . ARG 137 137 17549 1 . GLU 138 138 17549 1 . ALA 139 139 17549 1 . GLN 140 140 17549 1 . THR 141 141 17549 1 . SER 142 142 17549 1 . GLY 143 143 17549 1 . LEU 144 144 17549 1 . LYS 145 145 17549 1 . VAL 146 146 17549 1 . MET 147 147 17549 1 . ALA 148 148 17549 1 . LEU 149 149 17549 1 . SER 150 150 17549 1 . LEU 151 151 17549 1 . VAL 152 152 17549 1 . GLY 153 153 17549 1 . ALA 154 154 17549 1 . ASP 155 155 17549 1 . PRO 156 156 17549 1 . GLU 157 157 17549 1 . GLN 158 158 17549 1 . LEU 159 159 17549 1 . ARG 160 160 17549 1 . ARG 161 161 17549 1 . LEU 162 162 17549 1 . ALA 163 163 17549 1 . PRO 164 164 17549 1 . GLY 165 165 17549 1 . THR 166 166 17549 1 . ASP 167 167 17549 1 . PRO 168 168 17549 1 . ILE 169 169 17549 1 . GLN 170 170 17549 1 . ASN 171 171 17549 1 . PHE 172 172 17549 1 . PHE 173 173 17549 1 . ALA 174 174 17549 1 . VAL 175 175 17549 1 . ASP 176 176 17549 1 . ASN 177 177 17549 1 . GLY 178 178 17549 1 . PRO 179 179 17549 1 . GLY 180 180 17549 1 . LEU 181 181 17549 1 . ASP 182 182 17549 1 . ARG 183 183 17549 1 . ALA 184 184 17549 1 . VAL 185 185 17549 1 . SER 186 186 17549 1 . ASP 187 187 17549 1 . LEU 188 188 17549 1 . ALA 189 189 17549 1 . VAL 190 190 17549 1 . ALA 191 191 17549 1 . LEU 192 192 17549 1 . CYS 193 193 17549 1 . GLN 194 194 17549 1 . ALA 195 195 17549 1 . ALA 196 196 17549 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 17549 _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 $mvWFA2 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . 'expression construct was codon optimized and synthesized' 17549 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 17549 _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 $mvWFA2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ER2566 . . . . . pTWIN1 . . . 17549 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17549 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 mvWFA2 '[U-100% 13C; U-100% 15N]' . . 1 $mvWFA2 . . 2 . . mM . . . . 17549 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17549 1 3 TSP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17549 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17549 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17549 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 17549 _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 . M 17549 1 pH 7.4 . pH 17549 1 pressure 1 . atm 17549 1 temperature 298 . K 17549 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17549 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17549 1 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 17549 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17549 _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 DRX . 500 . . . 17549 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 17549 _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 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17549 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 17549 _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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 17549 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 17549 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 17549 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 17549 _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 3 '3D CBCA(CO)NH' . . . 17549 1 4 '3D HNCO' . . . 17549 1 5 '3D HNCA' . . . 17549 1 6 '3D 1H-15N NOESY' . . . 17549 1 7 '3D HNHA' . . . 17549 1 8 '3D 1H-15N TOCSY' . . . 17549 1 9 '3D HN(CO)CA' . . . 17549 1 10 '3D HBHA(CO)NH' . . . 17549 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.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 6 6 ALA H H 1 8.136 0.025 . 1 . . . . . 1048 ALA H . 17549 1 2 . 1 1 6 6 ALA HA H 1 4.391 0.000 . 1 . . . . . 1048 ALA HA . 17549 1 3 . 1 1 6 6 ALA N N 15 123.544 0.052 . 1 . . . . . 1048 ALA N . 17549 1 4 . 1 1 8 8 SER HA H 1 4.339 0.000 . 1 . . . . . 1050 SER HA . 17549 1 5 . 1 1 8 8 SER CA C 13 59.737 0.000 . 1 . . . . . 1050 SER CA . 17549 1 6 . 1 1 9 9 HIS H H 1 8.500 0.011 . 1 . . . . . 1051 HIS H . 17549 1 7 . 1 1 9 9 HIS HA H 1 4.732 0.023 . 1 . . . . . 1051 HIS HA . 17549 1 8 . 1 1 9 9 HIS C C 13 175.350 0.000 . 1 . . . . . 1051 HIS C . 17549 1 9 . 1 1 9 9 HIS CA C 13 56.710 0.042 . 1 . . . . . 1051 HIS CA . 17549 1 10 . 1 1 9 9 HIS N N 15 125.465 0.044 . 1 . . . . . 1051 HIS N . 17549 1 11 . 1 1 10 10 GLY H H 1 8.250 0.006 . 1 . . . . . 1052 GLY H . 17549 1 12 . 1 1 10 10 GLY HA2 H 1 4.340 0.009 . 2 . . . . . 1052 GLY HA2 . 17549 1 13 . 1 1 10 10 GLY HA3 H 1 3.722 0.039 . 2 . . . . . 1052 GLY HA3 . 17549 1 14 . 1 1 10 10 GLY CA C 13 44.725 0.053 . 1 . . . . . 1052 GLY CA . 17549 1 15 . 1 1 10 10 GLY N N 15 109.149 0.026 . 1 . . . . . 1052 GLY N . 17549 1 16 . 1 1 11 11 PRO HA H 1 4.286 0.003 . 1 . . . . . 1053 PRO HA . 17549 1 17 . 1 1 11 11 PRO C C 13 175.354 0.000 . 1 . . . . . 1053 PRO C . 17549 1 18 . 1 1 11 11 PRO CA C 13 63.546 0.034 . 1 . . . . . 1053 PRO CA . 17549 1 19 . 1 1 12 12 VAL H H 1 6.802 0.008 . 1 . . . . . 1054 VAL H . 17549 1 20 . 1 1 12 12 VAL HA H 1 4.465 0.012 . 1 . . . . . 1054 VAL HA . 17549 1 21 . 1 1 12 12 VAL C C 13 171.518 0.000 . 1 . . . . . 1054 VAL C . 17549 1 22 . 1 1 12 12 VAL CA C 13 60.942 0.059 . 1 . . . . . 1054 VAL CA . 17549 1 23 . 1 1 12 12 VAL N N 15 115.972 0.061 . 1 . . . . . 1054 VAL N . 17549 1 24 . 1 1 13 13 ASP H H 1 8.421 0.006 . 1 . . . . . 1055 ASP H . 17549 1 25 . 1 1 13 13 ASP HA H 1 5.257 0.016 . 1 . . . . . 1055 ASP HA . 17549 1 26 . 1 1 13 13 ASP C C 13 173.752 0.000 . 1 . . . . . 1055 ASP C . 17549 1 27 . 1 1 13 13 ASP CA C 13 53.782 0.035 . 1 . . . . . 1055 ASP CA . 17549 1 28 . 1 1 13 13 ASP N N 15 129.459 0.046 . 1 . . . . . 1055 ASP N . 17549 1 29 . 1 1 14 14 VAL H H 1 8.658 0.007 . 1 . . . . . 1056 VAL H . 17549 1 30 . 1 1 14 14 VAL HA H 1 4.916 0.010 . 1 . . . . . 1056 VAL HA . 17549 1 31 . 1 1 14 14 VAL C C 13 173.791 0.000 . 1 . . . . . 1056 VAL C . 17549 1 32 . 1 1 14 14 VAL CA C 13 60.382 0.074 . 1 . . . . . 1056 VAL CA . 17549 1 33 . 1 1 14 14 VAL N N 15 123.525 0.057 . 1 . . . . . 1056 VAL N . 17549 1 34 . 1 1 15 15 VAL H H 1 8.638 0.006 . 1 . . . . . 1057 VAL H . 17549 1 35 . 1 1 15 15 VAL HA H 1 4.647 0.014 . 1 . . . . . 1057 VAL HA . 17549 1 36 . 1 1 15 15 VAL C C 13 174.186 0.000 . 1 . . . . . 1057 VAL C . 17549 1 37 . 1 1 15 15 VAL CA C 13 59.692 0.064 . 1 . . . . . 1057 VAL CA . 17549 1 38 . 1 1 15 15 VAL N N 15 123.372 0.078 . 1 . . . . . 1057 VAL N . 17549 1 39 . 1 1 16 16 PHE H H 1 7.969 0.010 . 1 . . . . . 1058 PHE H . 17549 1 40 . 1 1 16 16 PHE HA H 1 5.149 0.018 . 1 . . . . . 1058 PHE HA . 17549 1 41 . 1 1 16 16 PHE C C 13 174.444 0.000 . 1 . . . . . 1058 PHE C . 17549 1 42 . 1 1 16 16 PHE CA C 13 57.052 0.068 . 1 . . . . . 1058 PHE CA . 17549 1 43 . 1 1 16 16 PHE N N 15 124.696 0.065 . 1 . . . . . 1058 PHE N . 17549 1 44 . 1 1 17 17 LEU H H 1 9.206 0.008 . 1 . . . . . 1059 LEU H . 17549 1 45 . 1 1 17 17 LEU HA H 1 5.710 0.022 . 1 . . . . . 1059 LEU HA . 17549 1 46 . 1 1 17 17 LEU C C 13 174.788 0.000 . 1 . . . . . 1059 LEU C . 17549 1 47 . 1 1 17 17 LEU CA C 13 54.963 0.085 . 1 . . . . . 1059 LEU CA . 17549 1 48 . 1 1 17 17 LEU N N 15 123.517 0.039 . 1 . . . . . 1059 LEU N . 17549 1 49 . 1 1 18 18 LEU H H 1 8.465 0.006 . 1 . . . . . 1060 LEU H . 17549 1 50 . 1 1 18 18 LEU HA H 1 4.957 0.022 . 1 . . . . . 1060 LEU HA . 17549 1 51 . 1 1 18 18 LEU C C 13 173.680 0.000 . 1 . . . . . 1060 LEU C . 17549 1 52 . 1 1 18 18 LEU CA C 13 53.645 0.035 . 1 . . . . . 1060 LEU CA . 17549 1 53 . 1 1 18 18 LEU N N 15 120.189 0.043 . 1 . . . . . 1060 LEU N . 17549 1 54 . 1 1 19 19 HIS H H 1 8.649 0.015 . 1 . . . . . 1061 HIS H . 17549 1 55 . 1 1 19 19 HIS HA H 1 3.700 0.017 . 1 . . . . . 1061 HIS HA . 17549 1 56 . 1 1 19 19 HIS C C 13 174.241 0.000 . 1 . . . . . 1061 HIS C . 17549 1 57 . 1 1 19 19 HIS CA C 13 52.281 0.042 . 1 . . . . . 1061 HIS CA . 17549 1 58 . 1 1 19 19 HIS N N 15 126.507 0.084 . 1 . . . . . 1061 HIS N . 17549 1 59 . 1 1 20 20 ALA H H 1 8.227 0.006 . 1 . . . . . 1062 ALA H . 17549 1 60 . 1 1 20 20 ALA HA H 1 4.749 0.015 . 1 . . . . . 1062 ALA HA . 17549 1 61 . 1 1 20 20 ALA C C 13 174.565 0.000 . 1 . . . . . 1062 ALA C . 17549 1 62 . 1 1 20 20 ALA CA C 13 52.489 0.004 . 1 . . . . . 1062 ALA CA . 17549 1 63 . 1 1 20 20 ALA N N 15 134.820 0.043 . 1 . . . . . 1062 ALA N . 17549 1 64 . 1 1 21 21 THR H H 1 8.939 0.004 . 1 . . . . . 1063 THR H . 17549 1 65 . 1 1 21 21 THR HA H 1 4.660 0.007 . 1 . . . . . 1063 THR HA . 17549 1 66 . 1 1 21 21 THR C C 13 173.955 0.000 . 1 . . . . . 1063 THR C . 17549 1 67 . 1 1 21 21 THR CA C 13 59.003 0.058 . 1 . . . . . 1063 THR CA . 17549 1 68 . 1 1 21 21 THR N N 15 118.081 0.034 . 1 . . . . . 1063 THR N . 17549 1 69 . 1 1 22 22 ARG H H 1 9.145 0.004 . 1 . . . . . 1064 ARG H . 17549 1 70 . 1 1 22 22 ARG HA H 1 4.135 0.014 . 1 . . . . . 1064 ARG HA . 17549 1 71 . 1 1 22 22 ARG CA C 13 58.601 0.001 . 1 . . . . . 1064 ARG CA . 17549 1 72 . 1 1 22 22 ARG N N 15 117.418 0.052 . 1 . . . . . 1064 ARG N . 17549 1 73 . 1 1 23 23 ASP H H 1 7.884 0.004 . 1 . . . . . 1065 ASP H . 17549 1 74 . 1 1 23 23 ASP HA H 1 4.693 0.008 . 1 . . . . . 1065 ASP HA . 17549 1 75 . 1 1 23 23 ASP CA C 13 55.672 0.057 . 1 . . . . . 1065 ASP CA . 17549 1 76 . 1 1 23 23 ASP N N 15 116.274 0.061 . 1 . . . . . 1065 ASP N . 17549 1 77 . 1 1 24 24 ASN H H 1 7.764 0.007 . 1 . . . . . 1066 ASN H . 17549 1 78 . 1 1 24 24 ASN HA H 1 4.957 0.016 . 1 . . . . . 1066 ASN HA . 17549 1 79 . 1 1 24 24 ASN C C 13 177.194 0.000 . 1 . . . . . 1066 ASN C . 17549 1 80 . 1 1 24 24 ASN CA C 13 51.910 0.032 . 1 . . . . . 1066 ASN CA . 17549 1 81 . 1 1 24 24 ASN N N 15 117.972 0.077 . 1 . . . . . 1066 ASN N . 17549 1 82 . 1 1 25 25 ALA H H 1 7.279 0.013 . 1 . . . . . 1067 ALA H . 17549 1 83 . 1 1 25 25 ALA HA H 1 3.542 0.011 . 1 . . . . . 1067 ALA HA . 17549 1 84 . 1 1 25 25 ALA CA C 13 55.180 0.000 . 1 . . . . . 1067 ALA CA . 17549 1 85 . 1 1 25 25 ALA N N 15 122.979 0.049 . 1 . . . . . 1067 ALA N . 17549 1 86 . 1 1 26 26 HIS HA H 1 4.406 0.003 . 1 . . . . . 1068 HIS HA . 17549 1 87 . 1 1 26 26 HIS C C 13 176.483 0.000 . 1 . . . . . 1068 HIS C . 17549 1 88 . 1 1 26 26 HIS CA C 13 57.973 0.000 . 1 . . . . . 1068 HIS CA . 17549 1 89 . 1 1 27 27 ASN H H 1 7.218 0.009 . 1 . . . . . 1069 ASN H . 17549 1 90 . 1 1 27 27 ASN HA H 1 5.098 0.008 . 1 . . . . . 1069 ASN HA . 17549 1 91 . 1 1 27 27 ASN C C 13 175.294 0.000 . 1 . . . . . 1069 ASN C . 17549 1 92 . 1 1 27 27 ASN CA C 13 52.121 0.097 . 1 . . . . . 1069 ASN CA . 17549 1 93 . 1 1 27 27 ASN N N 15 119.947 0.053 . 1 . . . . . 1069 ASN N . 17549 1 94 . 1 1 28 28 ALA H H 1 7.330 0.004 . 1 . . . . . 1070 ALA H . 17549 1 95 . 1 1 28 28 ALA HA H 1 3.815 0.007 . 1 . . . . . 1070 ALA HA . 17549 1 96 . 1 1 28 28 ALA C C 13 180.470 0.000 . 1 . . . . . 1070 ALA C . 17549 1 97 . 1 1 28 28 ALA CA C 13 56.184 0.022 . 1 . . . . . 1070 ALA CA . 17549 1 98 . 1 1 28 28 ALA N N 15 121.638 0.052 . 1 . . . . . 1070 ALA N . 17549 1 99 . 1 1 29 29 GLU H H 1 8.552 0.006 . 1 . . . . . 1071 GLU H . 17549 1 100 . 1 1 29 29 GLU HA H 1 4.003 0.019 . 1 . . . . . 1071 GLU HA . 17549 1 101 . 1 1 29 29 GLU C C 13 178.238 0.000 . 1 . . . . . 1071 GLU C . 17549 1 102 . 1 1 29 29 GLU CA C 13 59.650 0.004 . 1 . . . . . 1071 GLU CA . 17549 1 103 . 1 1 29 29 GLU N N 15 118.176 0.048 . 1 . . . . . 1071 GLU N . 17549 1 104 . 1 1 30 30 ALA H H 1 7.864 0.008 . 1 . . . . . 1072 ALA H . 17549 1 105 . 1 1 30 30 ALA HA H 1 4.036 0.008 . 1 . . . . . 1072 ALA HA . 17549 1 106 . 1 1 30 30 ALA C C 13 180.237 0.000 . 1 . . . . . 1072 ALA C . 17549 1 107 . 1 1 30 30 ALA CA C 13 55.468 0.003 . 1 . . . . . 1072 ALA CA . 17549 1 108 . 1 1 30 30 ALA N N 15 123.188 0.035 . 1 . . . . . 1072 ALA N . 17549 1 109 . 1 1 31 31 VAL H H 1 7.794 0.009 . 1 . . . . . 1073 VAL H . 17549 1 110 . 1 1 31 31 VAL HA H 1 3.415 0.017 . 1 . . . . . 1073 VAL HA . 17549 1 111 . 1 1 31 31 VAL CA C 13 66.837 0.052 . 1 . . . . . 1073 VAL CA . 17549 1 112 . 1 1 31 31 VAL N N 15 117.318 0.061 . 1 . . . . . 1073 VAL N . 17549 1 113 . 1 1 32 32 ARG H H 1 8.347 0.003 . 1 . . . . . 1074 ARG H . 17549 1 114 . 1 1 32 32 ARG HA H 1 3.664 0.013 . 1 . . . . . 1074 ARG HA . 17549 1 115 . 1 1 32 32 ARG C C 13 178.355 0.000 . 1 . . . . . 1074 ARG C . 17549 1 116 . 1 1 32 32 ARG CA C 13 60.512 0.063 . 1 . . . . . 1074 ARG CA . 17549 1 117 . 1 1 32 32 ARG N N 15 121.590 0.043 . 1 . . . . . 1074 ARG N . 17549 1 118 . 1 1 33 33 ARG H H 1 7.687 0.006 . 1 . . . . . 1075 ARG H . 17549 1 119 . 1 1 33 33 ARG HA H 1 4.026 0.006 . 1 . . . . . 1075 ARG HA . 17549 1 120 . 1 1 33 33 ARG C C 13 179.533 0.000 . 1 . . . . . 1075 ARG C . 17549 1 121 . 1 1 33 33 ARG CA C 13 59.383 0.004 . 1 . . . . . 1075 ARG CA . 17549 1 122 . 1 1 33 33 ARG N N 15 118.130 0.052 . 1 . . . . . 1075 ARG N . 17549 1 123 . 1 1 34 34 VAL H H 1 7.842 0.007 . 1 . . . . . 1076 VAL H . 17549 1 124 . 1 1 34 34 VAL HA H 1 3.462 0.012 . 1 . . . . . 1076 VAL HA . 17549 1 125 . 1 1 34 34 VAL C C 13 177.395 0.000 . 1 . . . . . 1076 VAL C . 17549 1 126 . 1 1 34 34 VAL CA C 13 66.856 0.025 . 1 . . . . . 1076 VAL CA . 17549 1 127 . 1 1 34 34 VAL N N 15 120.075 0.049 . 1 . . . . . 1076 VAL N . 17549 1 128 . 1 1 35 35 LEU H H 1 8.427 0.006 . 1 . . . . . 1077 LEU H . 17549 1 129 . 1 1 35 35 LEU HA H 1 3.584 0.017 . 1 . . . . . 1077 LEU HA . 17549 1 130 . 1 1 35 35 LEU CA C 13 57.936 0.053 . 1 . . . . . 1077 LEU CA . 17549 1 131 . 1 1 35 35 LEU N N 15 118.811 0.081 . 1 . . . . . 1077 LEU N . 17549 1 132 . 1 1 36 36 GLU H H 1 8.600 0.010 . 1 . . . . . 1078 GLU H . 17549 1 133 . 1 1 36 36 GLU HA H 1 3.638 0.020 . 1 . . . . . 1078 GLU HA . 17549 1 134 . 1 1 36 36 GLU C C 13 179.380 0.000 . 1 . . . . . 1078 GLU C . 17549 1 135 . 1 1 36 36 GLU CA C 13 60.343 0.032 . 1 . . . . . 1078 GLU CA . 17549 1 136 . 1 1 36 36 GLU N N 15 118.046 0.033 . 1 . . . . . 1078 GLU N . 17549 1 137 . 1 1 37 37 ARG H H 1 7.683 0.010 . 1 . . . . . 1079 ARG H . 17549 1 138 . 1 1 37 37 ARG HA H 1 4.013 0.010 . 1 . . . . . 1079 ARG HA . 17549 1 139 . 1 1 37 37 ARG C C 13 179.353 0.000 . 1 . . . . . 1079 ARG C . 17549 1 140 . 1 1 37 37 ARG CA C 13 59.207 0.057 . 1 . . . . . 1079 ARG CA . 17549 1 141 . 1 1 37 37 ARG N N 15 119.253 0.051 . 1 . . . . . 1079 ARG N . 17549 1 142 . 1 1 38 38 LEU H H 1 8.365 0.006 . 1 . . . . . 1080 LEU H . 17549 1 143 . 1 1 38 38 LEU HA H 1 4.005 0.005 . 1 . . . . . 1080 LEU HA . 17549 1 144 . 1 1 38 38 LEU C C 13 178.191 0.000 . 1 . . . . . 1080 LEU C . 17549 1 145 . 1 1 38 38 LEU CA C 13 57.857 0.021 . 1 . . . . . 1080 LEU CA . 17549 1 146 . 1 1 38 38 LEU N N 15 119.307 0.034 . 1 . . . . . 1080 LEU N . 17549 1 147 . 1 1 39 39 VAL H H 1 8.695 0.003 . 1 . . . . . 1081 VAL H . 17549 1 148 . 1 1 39 39 VAL HA H 1 3.684 0.017 . 1 . . . . . 1081 VAL HA . 17549 1 149 . 1 1 39 39 VAL C C 13 179.505 0.000 . 1 . . . . . 1081 VAL C . 17549 1 150 . 1 1 39 39 VAL CA C 13 66.826 0.081 . 1 . . . . . 1081 VAL CA . 17549 1 151 . 1 1 39 39 VAL N N 15 115.996 0.038 . 1 . . . . . 1081 VAL N . 17549 1 152 . 1 1 40 40 SER H H 1 7.764 0.011 . 1 . . . . . 1082 SER H . 17549 1 153 . 1 1 40 40 SER HA H 1 4.245 0.000 . 1 . . . . . 1082 SER HA . 17549 1 154 . 1 1 40 40 SER C C 13 176.035 0.000 . 1 . . . . . 1082 SER C . 17549 1 155 . 1 1 40 40 SER CA C 13 61.784 0.007 . 1 . . . . . 1082 SER CA . 17549 1 156 . 1 1 40 40 SER N N 15 114.301 0.053 . 1 . . . . . 1082 SER N . 17549 1 157 . 1 1 41 41 ALA H H 1 7.696 0.007 . 1 . . . . . 1083 ALA H . 17549 1 158 . 1 1 41 41 ALA HA H 1 4.287 0.006 . 1 . . . . . 1083 ALA HA . 17549 1 159 . 1 1 41 41 ALA C C 13 177.936 0.000 . 1 . . . . . 1083 ALA C . 17549 1 160 . 1 1 41 41 ALA CA C 13 53.625 0.076 . 1 . . . . . 1083 ALA CA . 17549 1 161 . 1 1 41 41 ALA N N 15 123.144 0.033 . 1 . . . . . 1083 ALA N . 17549 1 162 . 1 1 42 42 LEU H H 1 7.280 0.014 . 1 . . . . . 1084 LEU H . 17549 1 163 . 1 1 42 42 LEU HA H 1 4.121 0.008 . 1 . . . . . 1084 LEU HA . 17549 1 164 . 1 1 42 42 LEU C C 13 177.647 0.000 . 1 . . . . . 1084 LEU C . 17549 1 165 . 1 1 42 42 LEU CA C 13 55.813 0.060 . 1 . . . . . 1084 LEU CA . 17549 1 166 . 1 1 42 42 LEU N N 15 114.517 0.110 . 1 . . . . . 1084 LEU N . 17549 1 167 . 1 1 43 43 GLY H H 1 7.272 0.006 . 1 . . . . . 1085 GLY H . 17549 1 168 . 1 1 43 43 GLY HA2 H 1 4.066 0.010 . 2 . . . . . 1085 GLY HA2 . 17549 1 169 . 1 1 43 43 GLY HA3 H 1 3.624 0.009 . 2 . . . . . 1085 GLY HA3 . 17549 1 170 . 1 1 43 43 GLY CA C 13 43.913 0.093 . 1 . . . . . 1085 GLY CA . 17549 1 171 . 1 1 43 43 GLY N N 15 105.298 0.075 . 1 . . . . . 1085 GLY N . 17549 1 172 . 1 1 44 44 PRO HA H 1 4.258 0.002 . 1 . . . . . 1086 PRO HA . 17549 1 173 . 1 1 44 44 PRO C C 13 176.179 0.000 . 1 . . . . . 1086 PRO C . 17549 1 174 . 1 1 44 44 PRO CA C 13 63.780 0.005 . 1 . . . . . 1086 PRO CA . 17549 1 175 . 1 1 45 45 LEU H H 1 8.473 0.005 . 1 . . . . . 1087 LEU H . 17549 1 176 . 1 1 45 45 LEU HA H 1 5.400 0.004 . 1 . . . . . 1087 LEU HA . 17549 1 177 . 1 1 45 45 LEU C C 13 178.582 0.000 . 1 . . . . . 1087 LEU C . 17549 1 178 . 1 1 45 45 LEU CA C 13 53.079 0.029 . 1 . . . . . 1087 LEU CA . 17549 1 179 . 1 1 45 45 LEU N N 15 122.592 0.060 . 1 . . . . . 1087 LEU N . 17549 1 180 . 1 1 46 46 GLY H H 1 9.131 0.008 . 1 . . . . . 1088 GLY H . 17549 1 181 . 1 1 46 46 GLY HA2 H 1 4.342 0.018 . 2 . . . . . 1088 GLY HA2 . 17549 1 182 . 1 1 46 46 GLY HA3 H 1 3.184 0.004 . 2 . . . . . 1088 GLY HA3 . 17549 1 183 . 1 1 46 46 GLY CA C 13 45.547 0.039 . 1 . . . . . 1088 GLY CA . 17549 1 184 . 1 1 46 46 GLY N N 15 108.957 0.041 . 1 . . . . . 1088 GLY N . 17549 1 185 . 1 1 47 47 PRO CA C 13 62.262 0.000 . 1 . . . . . 1089 PRO CA . 17549 1 186 . 1 1 48 48 GLN H H 1 7.738 0.013 . 1 . . . . . 1090 GLN H . 17549 1 187 . 1 1 48 48 GLN HA H 1 4.613 0.120 . 1 . . . . . 1090 GLN HA . 17549 1 188 . 1 1 48 48 GLN C C 13 174.947 0.000 . 1 . . . . . 1090 GLN C . 17549 1 189 . 1 1 48 48 GLN CA C 13 54.250 0.035 . 1 . . . . . 1090 GLN CA . 17549 1 190 . 1 1 48 48 GLN N N 15 122.857 0.073 . 1 . . . . . 1090 GLN N . 17549 1 191 . 1 1 49 49 ALA H H 1 7.682 0.005 . 1 . . . . . 1091 ALA H . 17549 1 192 . 1 1 49 49 ALA HA H 1 4.640 0.014 . 1 . . . . . 1091 ALA HA . 17549 1 193 . 1 1 49 49 ALA C C 13 175.992 0.000 . 1 . . . . . 1091 ALA C . 17549 1 194 . 1 1 49 49 ALA CA C 13 51.849 0.017 . 1 . . . . . 1091 ALA CA . 17549 1 195 . 1 1 49 49 ALA N N 15 127.483 0.056 . 1 . . . . . 1091 ALA N . 17549 1 196 . 1 1 50 50 ALA H H 1 8.475 0.005 . 1 . . . . . 1092 ALA H . 17549 1 197 . 1 1 50 50 ALA HA H 1 5.334 0.025 . 1 . . . . . 1092 ALA HA . 17549 1 198 . 1 1 50 50 ALA C C 13 175.675 0.000 . 1 . . . . . 1092 ALA C . 17549 1 199 . 1 1 50 50 ALA CA C 13 52.980 0.047 . 1 . . . . . 1092 ALA CA . 17549 1 200 . 1 1 50 50 ALA N N 15 128.661 0.036 . 1 . . . . . 1092 ALA N . 17549 1 201 . 1 1 51 51 GLN H H 1 8.406 0.009 . 1 . . . . . 1093 GLN H . 17549 1 202 . 1 1 51 51 GLN HA H 1 5.241 0.016 . 1 . . . . . 1093 GLN HA . 17549 1 203 . 1 1 51 51 GLN C C 13 174.266 0.000 . 1 . . . . . 1093 GLN C . 17549 1 204 . 1 1 51 51 GLN CA C 13 55.585 0.003 . 1 . . . . . 1093 GLN CA . 17549 1 205 . 1 1 51 51 GLN N N 15 116.459 0.061 . 1 . . . . . 1093 GLN N . 17549 1 206 . 1 1 52 52 VAL H H 1 8.666 0.014 . 1 . . . . . 1094 VAL H . 17549 1 207 . 1 1 52 52 VAL HA H 1 5.809 0.017 . 1 . . . . . 1094 VAL HA . 17549 1 208 . 1 1 52 52 VAL C C 13 173.511 0.000 . 1 . . . . . 1094 VAL C . 17549 1 209 . 1 1 52 52 VAL CA C 13 59.322 0.042 . 1 . . . . . 1094 VAL CA . 17549 1 210 . 1 1 52 52 VAL N N 15 116.665 0.086 . 1 . . . . . 1094 VAL N . 17549 1 211 . 1 1 53 53 GLY H H 1 8.890 0.005 . 1 . . . . . 1095 GLY H . 17549 1 212 . 1 1 53 53 GLY HA2 H 1 4.673 0.012 . 2 . . . . . 1095 GLY HA2 . 17549 1 213 . 1 1 53 53 GLY HA3 H 1 3.247 0.019 . 2 . . . . . 1095 GLY HA3 . 17549 1 214 . 1 1 53 53 GLY C C 13 172.200 0.000 . 1 . . . . . 1095 GLY C . 17549 1 215 . 1 1 53 53 GLY CA C 13 43.403 0.075 . 1 . . . . . 1095 GLY CA . 17549 1 216 . 1 1 53 53 GLY N N 15 109.510 0.046 . 1 . . . . . 1095 GLY N . 17549 1 217 . 1 1 54 54 LEU H H 1 8.031 0.011 . 1 . . . . . 1096 LEU H . 17549 1 218 . 1 1 54 54 LEU HA H 1 5.151 0.064 . 1 . . . . . 1096 LEU HA . 17549 1 219 . 1 1 54 54 LEU C C 13 173.628 0.000 . 1 . . . . . 1096 LEU C . 17549 1 220 . 1 1 54 54 LEU CA C 13 55.466 0.013 . 1 . . . . . 1096 LEU CA . 17549 1 221 . 1 1 54 54 LEU N N 15 119.687 0.082 . 1 . . . . . 1096 LEU N . 17549 1 222 . 1 1 55 55 LEU H H 1 9.121 0.006 . 1 . . . . . 1097 LEU H . 17549 1 223 . 1 1 55 55 LEU HA H 1 4.783 0.010 . 1 . . . . . 1097 LEU HA . 17549 1 224 . 1 1 55 55 LEU C C 13 174.278 0.000 . 1 . . . . . 1097 LEU C . 17549 1 225 . 1 1 55 55 LEU CA C 13 54.254 0.039 . 1 . . . . . 1097 LEU CA . 17549 1 226 . 1 1 55 55 LEU N N 15 128.610 0.032 . 1 . . . . . 1097 LEU N . 17549 1 227 . 1 1 56 56 THR H H 1 8.666 0.005 . 1 . . . . . 1098 THR H . 17549 1 228 . 1 1 56 56 THR HA H 1 5.955 0.011 . 1 . . . . . 1098 THR HA . 17549 1 229 . 1 1 56 56 THR C C 13 173.174 0.000 . 1 . . . . . 1098 THR C . 17549 1 230 . 1 1 56 56 THR CA C 13 59.133 0.051 . 1 . . . . . 1098 THR CA . 17549 1 231 . 1 1 56 56 THR N N 15 116.668 0.086 . 1 . . . . . 1098 THR N . 17549 1 232 . 1 1 57 57 TYR H H 1 8.868 0.006 . 1 . . . . . 1099 TYR H . 17549 1 233 . 1 1 57 57 TYR HA H 1 5.418 0.007 . 1 . . . . . 1099 TYR HA . 17549 1 234 . 1 1 57 57 TYR CA C 13 56.556 0.002 . 1 . . . . . 1099 TYR CA . 17549 1 235 . 1 1 57 57 TYR N N 15 116.250 0.041 . 1 . . . . . 1099 TYR N . 17549 1 236 . 1 1 58 58 SER H H 1 8.361 0.007 . 1 . . . . . 1100 SER H . 17549 1 237 . 1 1 58 58 SER HA H 1 4.589 0.062 . 1 . . . . . 1100 SER HA . 17549 1 238 . 1 1 58 58 SER C C 13 174.606 0.000 . 1 . . . . . 1100 SER C . 17549 1 239 . 1 1 58 58 SER CA C 13 58.157 0.047 . 1 . . . . . 1100 SER CA . 17549 1 240 . 1 1 58 58 SER N N 15 120.453 0.064 . 1 . . . . . 1100 SER N . 17549 1 241 . 1 1 59 59 HIS H H 1 8.335 0.002 . 1 . . . . . 1101 HIS H . 17549 1 242 . 1 1 59 59 HIS HA H 1 4.774 0.013 . 1 . . . . . 1101 HIS HA . 17549 1 243 . 1 1 59 59 HIS C C 13 174.344 0.000 . 1 . . . . . 1101 HIS C . 17549 1 244 . 1 1 59 59 HIS CA C 13 58.258 0.074 . 1 . . . . . 1101 HIS CA . 17549 1 245 . 1 1 59 59 HIS N N 15 120.250 0.016 . 1 . . . . . 1101 HIS N . 17549 1 246 . 1 1 60 60 ARG H H 1 7.804 0.007 . 1 . . . . . 1102 ARG H . 17549 1 247 . 1 1 60 60 ARG HA H 1 5.057 0.013 . 1 . . . . . 1102 ARG HA . 17549 1 248 . 1 1 60 60 ARG CA C 13 51.945 0.071 . 1 . . . . . 1102 ARG CA . 17549 1 249 . 1 1 60 60 ARG N N 15 117.886 0.034 . 1 . . . . . 1102 ARG N . 17549 1 250 . 1 1 61 61 PRO HA H 1 5.101 0.005 . 1 . . . . . 1103 PRO HA . 17549 1 251 . 1 1 61 61 PRO C C 13 176.586 0.000 . 1 . . . . . 1103 PRO C . 17549 1 252 . 1 1 61 61 PRO CA C 13 61.710 0.031 . 1 . . . . . 1103 PRO CA . 17549 1 253 . 1 1 62 62 SER H H 1 9.440 0.007 . 1 . . . . . 1104 SER H . 17549 1 254 . 1 1 62 62 SER HA H 1 4.924 0.005 . 1 . . . . . 1104 SER HA . 17549 1 255 . 1 1 62 62 SER CA C 13 54.906 0.097 . 1 . . . . . 1104 SER CA . 17549 1 256 . 1 1 62 62 SER N N 15 115.421 0.061 . 1 . . . . . 1104 SER N . 17549 1 257 . 1 1 63 63 PRO HA H 1 4.221 0.000 . 1 . . . . . 1105 PRO HA . 17549 1 258 . 1 1 63 63 PRO C C 13 175.209 0.000 . 1 . . . . . 1105 PRO C . 17549 1 259 . 1 1 63 63 PRO CA C 13 63.183 0.000 . 1 . . . . . 1105 PRO CA . 17549 1 260 . 1 1 64 64 LEU H H 1 9.070 0.006 . 1 . . . . . 1106 LEU H . 17549 1 261 . 1 1 64 64 LEU HA H 1 4.721 0.017 . 1 . . . . . 1106 LEU HA . 17549 1 262 . 1 1 64 64 LEU C C 13 177.952 0.000 . 1 . . . . . 1106 LEU C . 17549 1 263 . 1 1 64 64 LEU CA C 13 56.503 0.059 . 1 . . . . . 1106 LEU CA . 17549 1 264 . 1 1 64 64 LEU N N 15 129.309 0.079 . 1 . . . . . 1106 LEU N . 17549 1 265 . 1 1 65 65 PHE H H 1 7.536 0.007 . 1 . . . . . 1107 PHE H . 17549 1 266 . 1 1 65 65 PHE HA H 1 5.154 0.003 . 1 . . . . . 1107 PHE HA . 17549 1 267 . 1 1 65 65 PHE CA C 13 54.872 0.009 . 1 . . . . . 1107 PHE CA . 17549 1 268 . 1 1 65 65 PHE N N 15 111.234 0.054 . 1 . . . . . 1107 PHE N . 17549 1 269 . 1 1 66 66 PRO HA H 1 4.928 0.004 . 1 . . . . . 1108 PRO HA . 17549 1 270 . 1 1 66 66 PRO CA C 13 61.266 0.003 . 1 . . . . . 1108 PRO CA . 17549 1 271 . 1 1 67 67 LEU H H 1 8.747 0.008 . 1 . . . . . 1109 LEU H . 17549 1 272 . 1 1 67 67 LEU HA H 1 3.923 0.031 . 1 . . . . . 1109 LEU HA . 17549 1 273 . 1 1 67 67 LEU C C 13 175.534 0.000 . 1 . . . . . 1109 LEU C . 17549 1 274 . 1 1 67 67 LEU CA C 13 57.293 0.022 . 1 . . . . . 1109 LEU CA . 17549 1 275 . 1 1 67 67 LEU N N 15 116.206 0.071 . 1 . . . . . 1109 LEU N . 17549 1 276 . 1 1 68 68 ASN H H 1 7.316 0.004 . 1 . . . . . 1110 ASN H . 17549 1 277 . 1 1 68 68 ASN HA H 1 4.559 0.025 . 1 . . . . . 1110 ASN HA . 17549 1 278 . 1 1 68 68 ASN CA C 13 50.472 0.078 . 1 . . . . . 1110 ASN CA . 17549 1 279 . 1 1 68 68 ASN N N 15 108.681 0.031 . 1 . . . . . 1110 ASN N . 17549 1 280 . 1 1 69 69 SER H H 1 7.754 0.005 . 1 . . . . . 1111 SER H . 17549 1 281 . 1 1 69 69 SER HA H 1 3.929 0.023 . 1 . . . . . 1111 SER HA . 17549 1 282 . 1 1 69 69 SER C C 13 175.710 0.000 . 1 . . . . . 1111 SER C . 17549 1 283 . 1 1 69 69 SER CA C 13 61.920 0.005 . 1 . . . . . 1111 SER CA . 17549 1 284 . 1 1 69 69 SER N N 15 117.838 0.044 . 1 . . . . . 1111 SER N . 17549 1 285 . 1 1 70 70 SER H H 1 7.642 0.005 . 1 . . . . . 1112 SER H . 17549 1 286 . 1 1 70 70 SER HA H 1 4.119 0.008 . 1 . . . . . 1112 SER HA . 17549 1 287 . 1 1 70 70 SER CA C 13 58.502 0.019 . 1 . . . . . 1112 SER CA . 17549 1 288 . 1 1 70 70 SER N N 15 109.323 0.034 . 1 . . . . . 1112 SER N . 17549 1 289 . 1 1 71 71 HIS H H 1 7.461 0.006 . 1 . . . . . 1113 HIS H . 17549 1 290 . 1 1 71 71 HIS HA H 1 4.800 0.014 . 1 . . . . . 1113 HIS HA . 17549 1 291 . 1 1 71 71 HIS C C 13 172.263 0.000 . 1 . . . . . 1113 HIS C . 17549 1 292 . 1 1 71 71 HIS CA C 13 55.731 0.023 . 1 . . . . . 1113 HIS CA . 17549 1 293 . 1 1 71 71 HIS N N 15 115.887 0.053 . 1 . . . . . 1113 HIS N . 17549 1 294 . 1 1 72 72 ASP H H 1 8.426 0.009 . 1 . . . . . 1114 ASP H . 17549 1 295 . 1 1 72 72 ASP HA H 1 4.825 0.014 . 1 . . . . . 1114 ASP HA . 17549 1 296 . 1 1 72 72 ASP C C 13 175.354 0.000 . 1 . . . . . 1114 ASP C . 17549 1 297 . 1 1 72 72 ASP CA C 13 52.825 0.009 . 1 . . . . . 1114 ASP CA . 17549 1 298 . 1 1 72 72 ASP N N 15 122.607 0.027 . 1 . . . . . 1114 ASP N . 17549 1 299 . 1 1 73 73 LEU H H 1 8.956 0.005 . 1 . . . . . 1115 LEU H . 17549 1 300 . 1 1 73 73 LEU HA H 1 3.792 0.006 . 1 . . . . . 1115 LEU HA . 17549 1 301 . 1 1 73 73 LEU C C 13 177.385 0.000 . 1 . . . . . 1115 LEU C . 17549 1 302 . 1 1 73 73 LEU CA C 13 58.566 0.058 . 1 . . . . . 1115 LEU CA . 17549 1 303 . 1 1 73 73 LEU N N 15 128.578 0.026 . 1 . . . . . 1115 LEU N . 17549 1 304 . 1 1 74 74 GLY H H 1 8.209 0.004 . 1 . . . . . 1116 GLY H . 17549 1 305 . 1 1 74 74 GLY HA2 H 1 3.878 0.030 . 2 . . . . . 1116 GLY HA2 . 17549 1 306 . 1 1 74 74 GLY HA3 H 1 3.653 0.004 . 2 . . . . . 1116 GLY HA3 . 17549 1 307 . 1 1 74 74 GLY C C 13 177.275 0.000 . 1 . . . . . 1116 GLY C . 17549 1 308 . 1 1 74 74 GLY CA C 13 47.302 0.005 . 1 . . . . . 1116 GLY CA . 17549 1 309 . 1 1 74 74 GLY N N 15 104.487 0.060 . 1 . . . . . 1116 GLY N . 17549 1 310 . 1 1 75 75 ILE H H 1 7.803 0.007 . 1 . . . . . 1117 ILE H . 17549 1 311 . 1 1 75 75 ILE HA H 1 3.673 0.008 . 1 . . . . . 1117 ILE HA . 17549 1 312 . 1 1 75 75 ILE C C 13 178.648 0.000 . 1 . . . . . 1117 ILE C . 17549 1 313 . 1 1 75 75 ILE CA C 13 63.759 0.011 . 1 . . . . . 1117 ILE CA . 17549 1 314 . 1 1 75 75 ILE N N 15 123.954 0.028 . 1 . . . . . 1117 ILE N . 17549 1 315 . 1 1 76 76 ILE H H 1 8.030 0.008 . 1 . . . . . 1118 ILE H . 17549 1 316 . 1 1 76 76 ILE HA H 1 3.198 0.010 . 1 . . . . . 1118 ILE HA . 17549 1 317 . 1 1 76 76 ILE C C 13 177.983 0.000 . 1 . . . . . 1118 ILE C . 17549 1 318 . 1 1 76 76 ILE CA C 13 64.410 0.048 . 1 . . . . . 1118 ILE CA . 17549 1 319 . 1 1 76 76 ILE N N 15 121.598 0.063 . 1 . . . . . 1118 ILE N . 17549 1 320 . 1 1 77 77 LEU H H 1 8.885 0.006 . 1 . . . . . 1119 LEU H . 17549 1 321 . 1 1 77 77 LEU HA H 1 3.977 0.011 . 1 . . . . . 1119 LEU HA . 17549 1 322 . 1 1 77 77 LEU CA C 13 58.241 0.029 . 1 . . . . . 1119 LEU CA . 17549 1 323 . 1 1 77 77 LEU N N 15 117.577 0.031 . 1 . . . . . 1119 LEU N . 17549 1 324 . 1 1 78 78 ARG H H 1 7.632 0.007 . 1 . . . . . 1120 ARG H . 17549 1 325 . 1 1 78 78 ARG HA H 1 3.950 0.006 . 1 . . . . . 1120 ARG HA . 17549 1 326 . 1 1 78 78 ARG C C 13 178.230 0.000 . 1 . . . . . 1120 ARG C . 17549 1 327 . 1 1 78 78 ARG CA C 13 59.263 0.006 . 1 . . . . . 1120 ARG CA . 17549 1 328 . 1 1 78 78 ARG N N 15 121.252 0.065 . 1 . . . . . 1120 ARG N . 17549 1 329 . 1 1 79 79 LYS H H 1 8.053 0.006 . 1 . . . . . 1121 K H . 17549 1 330 . 1 1 79 79 LYS HA H 1 4.035 0.008 . 1 . . . . . 1121 K HA . 17549 1 331 . 1 1 79 79 LYS C C 13 180.527 0.000 . 1 . . . . . 1121 K C . 17549 1 332 . 1 1 79 79 LYS CA C 13 59.808 0.007 . 1 . . . . . 1121 K CA . 17549 1 333 . 1 1 79 79 LYS N N 15 119.432 0.028 . 1 . . . . . 1121 K N . 17549 1 334 . 1 1 80 80 ILE H H 1 7.993 0.006 . 1 . . . . . 1122 ILE H . 17549 1 335 . 1 1 80 80 ILE HA H 1 3.677 0.012 . 1 . . . . . 1122 ILE HA . 17549 1 336 . 1 1 80 80 ILE C C 13 177.666 0.000 . 1 . . . . . 1122 ILE C . 17549 1 337 . 1 1 80 80 ILE CA C 13 64.359 0.008 . 1 . . . . . 1122 ILE CA . 17549 1 338 . 1 1 80 80 ILE N N 15 117.704 0.032 . 1 . . . . . 1122 ILE N . 17549 1 339 . 1 1 81 81 ARG H H 1 7.937 0.005 . 1 . . . . . 1123 ARG H . 17549 1 340 . 1 1 81 81 ARG HA H 1 3.845 0.012 . 1 . . . . . 1123 ARG HA . 17549 1 341 . 1 1 81 81 ARG C C 13 176.461 0.000 . 1 . . . . . 1123 ARG C . 17549 1 342 . 1 1 81 81 ARG CA C 13 59.122 0.070 . 1 . . . . . 1123 ARG CA . 17549 1 343 . 1 1 81 81 ARG N N 15 122.098 0.024 . 1 . . . . . 1123 ARG N . 17549 1 344 . 1 1 82 82 ASP H H 1 7.361 0.004 . 1 . . . . . 1124 ASP H . 17549 1 345 . 1 1 82 82 ASP HA H 1 4.776 0.005 . 1 . . . . . 1124 ASP HA . 17549 1 346 . 1 1 82 82 ASP C C 13 176.183 0.000 . 1 . . . . . 1124 ASP C . 17549 1 347 . 1 1 82 82 ASP CA C 13 53.906 0.019 . 1 . . . . . 1124 ASP CA . 17549 1 348 . 1 1 82 82 ASP N N 15 116.930 0.032 . 1 . . . . . 1124 ASP N . 17549 1 349 . 1 1 83 83 ILE H H 1 7.078 0.010 . 1 . . . . . 1125 ILE H . 17549 1 350 . 1 1 83 83 ILE HA H 1 3.823 0.011 . 1 . . . . . 1125 ILE HA . 17549 1 351 . 1 1 83 83 ILE CA C 13 61.490 0.001 . 1 . . . . . 1125 ILE CA . 17549 1 352 . 1 1 83 83 ILE N N 15 123.465 0.061 . 1 . . . . . 1125 ILE N . 17549 1 353 . 1 1 84 84 PRO HA H 1 4.588 0.013 . 1 . . . . . 1126 PRO HA . 17549 1 354 . 1 1 84 84 PRO C C 13 176.003 0.000 . 1 . . . . . 1126 PRO C . 17549 1 355 . 1 1 84 84 PRO CA C 13 62.327 0.073 . 1 . . . . . 1126 PRO CA . 17549 1 356 . 1 1 85 85 TYR H H 1 8.870 0.007 . 1 . . . . . 1127 TYR H . 17549 1 357 . 1 1 85 85 TYR HA H 1 4.092 0.006 . 1 . . . . . 1127 TYR HA . 17549 1 358 . 1 1 85 85 TYR C C 13 175.389 0.000 . 1 . . . . . 1127 TYR C . 17549 1 359 . 1 1 85 85 TYR CA C 13 57.249 0.080 . 1 . . . . . 1127 TYR CA . 17549 1 360 . 1 1 85 85 TYR N N 15 127.790 0.039 . 1 . . . . . 1127 TYR N . 17549 1 361 . 1 1 86 86 VAL H H 1 7.642 0.009 . 1 . . . . . 1128 VAL H . 17549 1 362 . 1 1 86 86 VAL HA H 1 4.415 0.013 . 1 . . . . . 1128 VAL HA . 17549 1 363 . 1 1 86 86 VAL CA C 13 61.929 0.077 . 1 . . . . . 1128 VAL CA . 17549 1 364 . 1 1 86 86 VAL N N 15 113.253 0.060 . 1 . . . . . 1128 VAL N . 17549 1 365 . 1 1 87 87 ASP H H 1 8.807 0.005 . 1 . . . . . 1129 ASP H . 17549 1 366 . 1 1 87 87 ASP HA H 1 4.842 0.034 . 1 . . . . . 1129 ASP HA . 17549 1 367 . 1 1 87 87 ASP CA C 13 53.938 0.002 . 1 . . . . . 1129 ASP CA . 17549 1 368 . 1 1 87 87 ASP N N 15 125.829 0.057 . 1 . . . . . 1129 ASP N . 17549 1 369 . 1 1 88 88 PRO HA H 1 4.288 0.007 . 1 . . . . . 1130 PRO HA . 17549 1 370 . 1 1 88 88 PRO C C 13 175.679 0.000 . 1 . . . . . 1130 PRO C . 17549 1 371 . 1 1 88 88 PRO CA C 13 65.048 0.004 . 1 . . . . . 1130 PRO CA . 17549 1 372 . 1 1 89 89 SER H H 1 7.718 0.005 . 1 . . . . . 1131 SER H . 17549 1 373 . 1 1 89 89 SER HA H 1 4.395 0.017 . 1 . . . . . 1131 SER HA . 17549 1 374 . 1 1 89 89 SER C C 13 173.620 0.000 . 1 . . . . . 1131 SER C . 17549 1 375 . 1 1 89 89 SER CA C 13 58.520 0.046 . 1 . . . . . 1131 SER CA . 17549 1 376 . 1 1 89 89 SER N N 15 107.835 0.040 . 1 . . . . . 1131 SER N . 17549 1 377 . 1 1 90 90 GLY H H 1 8.265 0.010 . 1 . . . . . 1132 GLY H . 17549 1 378 . 1 1 90 90 GLY HA2 H 1 4.581 0.025 . 2 . . . . . 1132 GLY HA2 . 17549 1 379 . 1 1 90 90 GLY HA3 H 1 3.712 0.013 . 2 . . . . . 1132 GLY HA3 . 17549 1 380 . 1 1 90 90 GLY C C 13 173.483 0.000 . 1 . . . . . 1132 GLY C . 17549 1 381 . 1 1 90 90 GLY CA C 13 44.939 0.084 . 1 . . . . . 1132 GLY CA . 17549 1 382 . 1 1 90 90 GLY N N 15 110.605 0.066 . 1 . . . . . 1132 GLY N . 17549 1 383 . 1 1 91 91 ASN H H 1 8.145 0.009 . 1 . . . . . 1133 ASN H . 17549 1 384 . 1 1 91 91 ASN HA H 1 4.725 0.124 . 1 . . . . . 1133 ASN HA . 17549 1 385 . 1 1 91 91 ASN C C 13 174.888 0.000 . 1 . . . . . 1133 ASN C . 17549 1 386 . 1 1 91 91 ASN CA C 13 52.372 0.025 . 1 . . . . . 1133 ASN CA . 17549 1 387 . 1 1 91 91 ASN N N 15 123.343 0.040 . 1 . . . . . 1133 ASN N . 17549 1 388 . 1 1 92 92 ASN H H 1 8.466 0.004 . 1 . . . . . 1134 ASN H . 17549 1 389 . 1 1 92 92 ASN HA H 1 4.930 0.021 . 1 . . . . . 1134 ASN HA . 17549 1 390 . 1 1 92 92 ASN C C 13 174.235 0.000 . 1 . . . . . 1134 ASN C . 17549 1 391 . 1 1 92 92 ASN CA C 13 51.779 0.060 . 1 . . . . . 1134 ASN CA . 17549 1 392 . 1 1 92 92 ASN N N 15 120.842 0.080 . 1 . . . . . 1134 ASN N . 17549 1 393 . 1 1 93 93 LEU H H 1 7.548 0.005 . 1 . . . . . 1135 LEU H . 17549 1 394 . 1 1 93 93 LEU HA H 1 3.016 0.009 . 1 . . . . . 1135 LEU HA . 17549 1 395 . 1 1 93 93 LEU C C 13 177.788 0.000 . 1 . . . . . 1135 LEU C . 17549 1 396 . 1 1 93 93 LEU CA C 13 56.105 0.067 . 1 . . . . . 1135 LEU CA . 17549 1 397 . 1 1 93 93 LEU N N 15 124.941 0.031 . 1 . . . . . 1135 LEU N . 17549 1 398 . 1 1 94 94 GLY H H 1 8.948 0.013 . 1 . . . . . 1136 GLY H . 17549 1 399 . 1 1 94 94 GLY HA2 H 1 4.094 0.015 . 2 . . . . . 1136 GLY HA2 . 17549 1 400 . 1 1 94 94 GLY HA3 H 1 3.432 0.009 . 2 . . . . . 1136 GLY HA3 . 17549 1 401 . 1 1 94 94 GLY C C 13 175.264 0.000 . 1 . . . . . 1136 GLY C . 17549 1 402 . 1 1 94 94 GLY CA C 13 48.451 0.060 . 1 . . . . . 1136 GLY CA . 17549 1 403 . 1 1 94 94 GLY N N 15 107.512 0.053 . 1 . . . . . 1136 GLY N . 17549 1 404 . 1 1 95 95 THR H H 1 7.358 0.017 . 1 . . . . . 1137 THR H . 17549 1 405 . 1 1 95 95 THR HA H 1 4.155 0.010 . 1 . . . . . 1137 THR HA . 17549 1 406 . 1 1 95 95 THR C C 13 177.537 0.000 . 1 . . . . . 1137 THR C . 17549 1 407 . 1 1 95 95 THR CA C 13 64.695 0.076 . 1 . . . . . 1137 THR CA . 17549 1 408 . 1 1 95 95 THR N N 15 112.322 0.062 . 1 . . . . . 1137 THR N . 17549 1 409 . 1 1 96 96 ALA H H 1 7.093 0.004 . 1 . . . . . 1138 ALA H . 17549 1 410 . 1 1 96 96 ALA HA H 1 3.820 0.009 . 1 . . . . . 1138 ALA HA . 17549 1 411 . 1 1 96 96 ALA C C 13 177.948 0.000 . 1 . . . . . 1138 ALA C . 17549 1 412 . 1 1 96 96 ALA CA C 13 55.965 0.007 . 1 . . . . . 1138 ALA CA . 17549 1 413 . 1 1 96 96 ALA N N 15 127.623 0.057 . 1 . . . . . 1138 ALA N . 17549 1 414 . 1 1 97 97 VAL H H 1 8.340 0.008 . 1 . . . . . 1139 VAL H . 17549 1 415 . 1 1 97 97 VAL HA H 1 3.403 0.025 . 1 . . . . . 1139 VAL HA . 17549 1 416 . 1 1 97 97 VAL CA C 13 66.935 0.095 . 1 . . . . . 1139 VAL CA . 17549 1 417 . 1 1 97 97 VAL N N 15 120.410 0.049 . 1 . . . . . 1139 VAL N . 17549 1 418 . 1 1 98 98 THR H H 1 7.884 0.005 . 1 . . . . . 1140 THR H . 17549 1 419 . 1 1 98 98 THR HA H 1 4.082 0.020 . 1 . . . . . 1140 THR HA . 17549 1 420 . 1 1 98 98 THR C C 13 176.411 0.000 . 1 . . . . . 1140 THR C . 17549 1 421 . 1 1 98 98 THR CA C 13 66.868 0.051 . 1 . . . . . 1140 THR CA . 17549 1 422 . 1 1 98 98 THR N N 15 116.289 0.026 . 1 . . . . . 1140 THR N . 17549 1 423 . 1 1 99 99 THR H H 1 8.216 0.007 . 1 . . . . . 1141 THR H . 17549 1 424 . 1 1 99 99 THR HA H 1 4.110 0.002 . 1 . . . . . 1141 THR HA . 17549 1 425 . 1 1 99 99 THR C C 13 175.757 0.000 . 1 . . . . . 1141 THR C . 17549 1 426 . 1 1 99 99 THR CA C 13 67.691 0.016 . 1 . . . . . 1141 THR CA . 17549 1 427 . 1 1 99 99 THR N N 15 117.357 0.036 . 1 . . . . . 1141 THR N . 17549 1 428 . 1 1 100 100 ALA H H 1 9.061 0.005 . 1 . . . . . 1142 ALA H . 17549 1 429 . 1 1 100 100 ALA HA H 1 3.904 0.025 . 1 . . . . . 1142 ALA HA . 17549 1 430 . 1 1 100 100 ALA C C 13 179.458 0.000 . 1 . . . . . 1142 ALA C . 17549 1 431 . 1 1 100 100 ALA CA C 13 55.587 0.066 . 1 . . . . . 1142 ALA CA . 17549 1 432 . 1 1 100 100 ALA N N 15 124.233 0.042 . 1 . . . . . 1142 ALA N . 17549 1 433 . 1 1 101 101 HIS H H 1 8.784 0.005 . 1 . . . . . 1143 HIS H . 17549 1 434 . 1 1 101 101 HIS HA H 1 4.091 0.013 . 1 . . . . . 1143 HIS HA . 17549 1 435 . 1 1 101 101 HIS C C 13 175.984 0.000 . 1 . . . . . 1143 HIS C . 17549 1 436 . 1 1 101 101 HIS CA C 13 58.520 0.055 . 1 . . . . . 1143 HIS CA . 17549 1 437 . 1 1 101 101 HIS N N 15 118.559 0.038 . 1 . . . . . 1143 HIS N . 17549 1 438 . 1 1 102 102 ARG H H 1 8.368 0.005 . 1 . . . . . 1144 ARG H . 17549 1 439 . 1 1 102 102 ARG HA H 1 3.629 0.011 . 1 . . . . . 1144 ARG HA . 17549 1 440 . 1 1 102 102 ARG C C 13 177.882 0.000 . 1 . . . . . 1144 ARG C . 17549 1 441 . 1 1 102 102 ARG CA C 13 59.248 0.060 . 1 . . . . . 1144 ARG CA . 17549 1 442 . 1 1 102 102 ARG N N 15 114.068 0.058 . 1 . . . . . 1144 ARG N . 17549 1 443 . 1 1 103 103 TYR H H 1 8.574 0.005 . 1 . . . . . 1145 TYR H . 17549 1 444 . 1 1 103 103 TYR HA H 1 4.664 0.011 . 1 . . . . . 1145 TYR HA . 17549 1 445 . 1 1 103 103 TYR C C 13 175.800 0.000 . 1 . . . . . 1145 TYR C . 17549 1 446 . 1 1 103 103 TYR CA C 13 59.308 0.102 . 1 . . . . . 1145 TYR CA . 17549 1 447 . 1 1 103 103 TYR N N 15 111.530 0.030 . 1 . . . . . 1145 TYR N . 17549 1 448 . 1 1 104 104 LEU H H 1 7.607 0.011 . 1 . . . . . 1146 LEU H . 17549 1 449 . 1 1 104 104 LEU HA H 1 5.246 0.020 . 1 . . . . . 1146 LEU HA . 17549 1 450 . 1 1 104 104 LEU C C 13 177.921 0.000 . 1 . . . . . 1146 LEU C . 17549 1 451 . 1 1 104 104 LEU CA C 13 55.475 0.002 . 1 . . . . . 1146 LEU CA . 17549 1 452 . 1 1 104 104 LEU N N 15 114.161 0.104 . 1 . . . . . 1146 LEU N . 17549 1 453 . 1 1 105 105 LEU H H 1 7.599 0.006 . 1 . . . . . 1147 LEU H . 17549 1 454 . 1 1 105 105 LEU HA H 1 4.659 0.008 . 1 . . . . . 1147 LEU HA . 17549 1 455 . 1 1 105 105 LEU C C 13 175.718 0.000 . 1 . . . . . 1147 LEU C . 17549 1 456 . 1 1 105 105 LEU CA C 13 54.100 0.045 . 1 . . . . . 1147 LEU CA . 17549 1 457 . 1 1 105 105 LEU N N 15 115.410 0.041 . 1 . . . . . 1147 LEU N . 17549 1 458 . 1 1 106 106 ALA H H 1 7.053 0.004 . 1 . . . . . 1148 ALA H . 17549 1 459 . 1 1 106 106 ALA HA H 1 4.410 0.019 . 1 . . . . . 1148 ALA HA . 17549 1 460 . 1 1 106 106 ALA C C 13 177.619 0.000 . 1 . . . . . 1148 ALA C . 17549 1 461 . 1 1 106 106 ALA CA C 13 52.319 0.010 . 1 . . . . . 1148 ALA CA . 17549 1 462 . 1 1 106 106 ALA N N 15 125.515 0.056 . 1 . . . . . 1148 ALA N . 17549 1 463 . 1 1 107 107 SER H H 1 8.850 0.009 . 1 . . . . . 1149 SER H . 17549 1 464 . 1 1 107 107 SER HA H 1 3.919 0.003 . 1 . . . . . 1149 SER HA . 17549 1 465 . 1 1 107 107 SER C C 13 174.563 0.000 . 1 . . . . . 1149 SER C . 17549 1 466 . 1 1 107 107 SER CA C 13 61.742 0.002 . 1 . . . . . 1149 SER CA . 17549 1 467 . 1 1 107 107 SER N N 15 113.980 0.096 . 1 . . . . . 1149 SER N . 17549 1 468 . 1 1 108 108 ASN H H 1 7.844 0.007 . 1 . . . . . 1150 ASN H . 17549 1 469 . 1 1 108 108 ASN HA H 1 4.807 0.018 . 1 . . . . . 1150 ASN HA . 17549 1 470 . 1 1 108 108 ASN CA C 13 52.093 0.072 . 1 . . . . . 1150 ASN CA . 17549 1 471 . 1 1 108 108 ASN N N 15 114.703 0.047 . 1 . . . . . 1150 ASN N . 17549 1 472 . 1 1 109 109 ALA H H 1 7.939 0.006 . 1 . . . . . 1151 ALA H . 17549 1 473 . 1 1 109 109 ALA HA H 1 4.445 0.007 . 1 . . . . . 1151 ALA HA . 17549 1 474 . 1 1 109 109 ALA CA C 13 50.524 0.029 . 1 . . . . . 1151 ALA CA . 17549 1 475 . 1 1 109 109 ALA N N 15 125.508 0.068 . 1 . . . . . 1151 ALA N . 17549 1 476 . 1 1 110 110 PRO HA H 1 4.324 0.007 . 1 . . . . . 1152 PRO HA . 17549 1 477 . 1 1 110 110 PRO C C 13 177.733 0.000 . 1 . . . . . 1152 PRO C . 17549 1 478 . 1 1 110 110 PRO CA C 13 63.835 0.029 . 1 . . . . . 1152 PRO CA . 17549 1 479 . 1 1 111 111 GLY H H 1 8.846 0.005 . 1 . . . . . 1153 GLY H . 17549 1 480 . 1 1 111 111 GLY HA2 H 1 3.867 0.025 . 2 . . . . . 1153 GLY HA2 . 17549 1 481 . 1 1 111 111 GLY HA3 H 1 3.713 0.010 . 2 . . . . . 1153 GLY HA3 . 17549 1 482 . 1 1 111 111 GLY CA C 13 46.460 0.052 . 1 . . . . . 1153 GLY CA . 17549 1 483 . 1 1 111 111 GLY N N 15 112.824 0.062 . 1 . . . . . 1153 GLY N . 17549 1 484 . 1 1 112 112 ARG H H 1 7.558 0.005 . 1 . . . . . 1154 ARG H . 17549 1 485 . 1 1 112 112 ARG HA H 1 3.874 0.022 . 1 . . . . . 1154 ARG HA . 17549 1 486 . 1 1 112 112 ARG C C 13 176.989 0.000 . 1 . . . . . 1154 ARG C . 17549 1 487 . 1 1 112 112 ARG CA C 13 55.903 0.006 . 1 . . . . . 1154 ARG CA . 17549 1 488 . 1 1 112 112 ARG N N 15 121.227 0.052 . 1 . . . . . 1154 ARG N . 17549 1 489 . 1 1 113 113 ARG H H 1 8.914 0.005 . 1 . . . . . 1155 ARG H . 17549 1 490 . 1 1 113 113 ARG HA H 1 4.580 0.004 . 1 . . . . . 1155 ARG HA . 17549 1 491 . 1 1 113 113 ARG C C 13 175.788 0.000 . 1 . . . . . 1155 ARG C . 17549 1 492 . 1 1 113 113 ARG CA C 13 55.310 0.002 . 1 . . . . . 1155 ARG CA . 17549 1 493 . 1 1 113 113 ARG N N 15 132.063 0.064 . 1 . . . . . 1155 ARG N . 17549 1 494 . 1 1 114 114 GLN H H 1 8.546 0.006 . 1 . . . . . 1156 GLN H . 17549 1 495 . 1 1 114 114 GLN HA H 1 4.040 0.013 . 1 . . . . . 1156 GLN HA . 17549 1 496 . 1 1 114 114 GLN CA C 13 57.453 0.051 . 1 . . . . . 1156 GLN CA . 17549 1 497 . 1 1 114 114 GLN N N 15 121.312 0.047 . 1 . . . . . 1156 GLN N . 17549 1 498 . 1 1 115 115 GLN H H 1 8.867 0.006 . 1 . . . . . 1157 GLN H . 17549 1 499 . 1 1 115 115 GLN HA H 1 4.093 0.009 . 1 . . . . . 1157 GLN HA . 17549 1 500 . 1 1 115 115 GLN C C 13 174.849 0.000 . 1 . . . . . 1157 GLN C . 17549 1 501 . 1 1 115 115 GLN CA C 13 57.047 0.096 . 1 . . . . . 1157 GLN CA . 17549 1 502 . 1 1 115 115 GLN N N 15 115.823 0.049 . 1 . . . . . 1157 GLN N . 17549 1 503 . 1 1 116 116 VAL H H 1 7.587 0.013 . 1 . . . . . 1158 VAL H . 17549 1 504 . 1 1 116 116 VAL HA H 1 4.650 0.009 . 1 . . . . . 1158 VAL HA . 17549 1 505 . 1 1 116 116 VAL CA C 13 58.585 0.086 . 1 . . . . . 1158 VAL CA . 17549 1 506 . 1 1 116 116 VAL N N 15 120.221 0.047 . 1 . . . . . 1158 VAL N . 17549 1 507 . 1 1 117 117 PRO HA H 1 4.475 0.003 . 1 . . . . . 1159 PRO HA . 17549 1 508 . 1 1 117 117 PRO C C 13 174.927 0.000 . 1 . . . . . 1159 PRO C . 17549 1 509 . 1 1 117 117 PRO CA C 13 63.785 0.000 . 1 . . . . . 1159 PRO CA . 17549 1 510 . 1 1 118 118 GLY H H 1 8.739 0.007 . 1 . . . . . 1160 GLY H . 17549 1 511 . 1 1 118 118 GLY HA2 H 1 5.336 0.008 . 2 . . . . . 1160 GLY HA2 . 17549 1 512 . 1 1 118 118 GLY HA3 H 1 3.131 0.009 . 2 . . . . . 1160 GLY HA3 . 17549 1 513 . 1 1 118 118 GLY C C 13 172.756 0.000 . 1 . . . . . 1160 GLY C . 17549 1 514 . 1 1 118 118 GLY CA C 13 43.815 0.045 . 1 . . . . . 1160 GLY CA . 17549 1 515 . 1 1 118 118 GLY N N 15 110.276 0.042 . 1 . . . . . 1160 GLY N . 17549 1 516 . 1 1 119 119 VAL H H 1 9.050 0.007 . 1 . . . . . 1161 VAL H . 17549 1 517 . 1 1 119 119 VAL HA H 1 4.875 0.006 . 1 . . . . . 1161 VAL HA . 17549 1 518 . 1 1 119 119 VAL C C 13 173.609 0.000 . 1 . . . . . 1161 VAL C . 17549 1 519 . 1 1 119 119 VAL CA C 13 60.149 0.042 . 1 . . . . . 1161 VAL CA . 17549 1 520 . 1 1 119 119 VAL N N 15 125.302 0.037 . 1 . . . . . 1161 VAL N . 17549 1 521 . 1 1 120 120 MET H H 1 9.167 0.006 . 1 . . . . . 1162 MET H . 17549 1 522 . 1 1 120 120 MET HA H 1 4.988 0.013 . 1 . . . . . 1162 MET HA . 17549 1 523 . 1 1 120 120 MET CA C 13 53.794 0.050 . 1 . . . . . 1162 MET CA . 17549 1 524 . 1 1 120 120 MET N N 15 126.035 0.081 . 1 . . . . . 1162 MET N . 17549 1 525 . 1 1 121 121 VAL H H 1 8.753 0.006 . 1 . . . . . 1163 VAL H . 17549 1 526 . 1 1 121 121 VAL HA H 1 4.555 0.014 . 1 . . . . . 1163 VAL HA . 17549 1 527 . 1 1 121 121 VAL C C 13 174.215 0.000 . 1 . . . . . 1163 VAL C . 17549 1 528 . 1 1 121 121 VAL CA C 13 60.976 0.071 . 1 . . . . . 1163 VAL CA . 17549 1 529 . 1 1 121 121 VAL N N 15 124.837 0.051 . 1 . . . . . 1163 VAL N . 17549 1 530 . 1 1 122 122 LEU H H 1 9.409 0.007 . 1 . . . . . 1164 LEU H . 17549 1 531 . 1 1 122 122 LEU HA H 1 4.645 0.007 . 1 . . . . . 1164 LEU HA . 17549 1 532 . 1 1 122 122 LEU C C 13 174.810 0.000 . 1 . . . . . 1164 LEU C . 17549 1 533 . 1 1 122 122 LEU CA C 13 54.233 0.014 . 1 . . . . . 1164 LEU CA . 17549 1 534 . 1 1 122 122 LEU N N 15 127.006 0.052 . 1 . . . . . 1164 LEU N . 17549 1 535 . 1 1 123 123 LEU H H 1 8.896 0.008 . 1 . . . . . 1165 LEU H . 17549 1 536 . 1 1 123 123 LEU HA H 1 5.481 0.022 . 1 . . . . . 1165 LEU HA . 17549 1 537 . 1 1 123 123 LEU C C 13 177.009 0.000 . 1 . . . . . 1165 LEU C . 17549 1 538 . 1 1 123 123 LEU CA C 13 56.190 0.039 . 1 . . . . . 1165 LEU CA . 17549 1 539 . 1 1 123 123 LEU N N 15 125.569 0.066 . 1 . . . . . 1165 LEU N . 17549 1 540 . 1 1 124 124 VAL H H 1 8.784 0.010 . 1 . . . . . 1166 VAL H . 17549 1 541 . 1 1 124 124 VAL HA H 1 4.385 0.022 . 1 . . . . . 1166 VAL HA . 17549 1 542 . 1 1 124 124 VAL C C 13 174.309 0.000 . 1 . . . . . 1166 VAL C . 17549 1 543 . 1 1 124 124 VAL CA C 13 61.255 0.064 . 1 . . . . . 1166 VAL CA . 17549 1 544 . 1 1 124 124 VAL N N 15 125.051 0.053 . 1 . . . . . 1166 VAL N . 17549 1 545 . 1 1 125 125 ASP H H 1 9.144 0.008 . 1 . . . . . 1167 ASP H . 17549 1 546 . 1 1 125 125 ASP HA H 1 4.678 0.015 . 1 . . . . . 1167 ASP HA . 17549 1 547 . 1 1 125 125 ASP C C 13 173.879 0.000 . 1 . . . . . 1167 ASP C . 17549 1 548 . 1 1 125 125 ASP CA C 13 53.184 0.085 . 1 . . . . . 1167 ASP CA . 17549 1 549 . 1 1 125 125 ASP N N 15 124.326 0.126 . 1 . . . . . 1167 ASP N . 17549 1 550 . 1 1 126 126 GLU H H 1 7.310 0.005 . 1 . . . . . 1168 GLU H . 17549 1 551 . 1 1 126 126 GLU HA H 1 4.790 0.016 . 1 . . . . . 1168 GLU HA . 17549 1 552 . 1 1 126 126 GLU CA C 13 54.553 0.061 . 1 . . . . . 1168 GLU CA . 17549 1 553 . 1 1 126 126 GLU N N 15 117.968 0.088 . 1 . . . . . 1168 GLU N . 17549 1 554 . 1 1 127 127 PRO HA H 1 4.522 0.015 . 1 . . . . . 1169 PRO HA . 17549 1 555 . 1 1 127 127 PRO C C 13 176.234 0.000 . 1 . . . . . 1169 PRO C . 17549 1 556 . 1 1 127 127 PRO CA C 13 63.817 0.064 . 1 . . . . . 1169 PRO CA . 17549 1 557 . 1 1 128 128 LEU H H 1 9.575 0.008 . 1 . . . . . 1170 LEU H . 17549 1 558 . 1 1 128 128 LEU CA C 13 54.760 0.000 . 1 . . . . . 1170 LEU CA . 17549 1 559 . 1 1 128 128 LEU N N 15 126.188 0.033 . 1 . . . . . 1170 LEU N . 17549 1 560 . 1 1 129 129 ARG CA C 13 55.207 0.000 . 1 . . . . . 1171 ARG CA . 17549 1 561 . 1 1 130 130 GLY H H 1 8.329 0.010 . 1 . . . . . 1172 GLY H . 17549 1 562 . 1 1 130 130 GLY HA2 H 1 4.041 0.000 . 1 . . . . . 1172 GLY HA . 17549 1 563 . 1 1 130 130 GLY HA3 H 1 4.041 0.000 . 1 . . . . . 1172 GLY HA . 17549 1 564 . 1 1 130 130 GLY CA C 13 44.475 0.000 . 1 . . . . . 1172 GLY CA . 17549 1 565 . 1 1 130 130 GLY N N 15 108.622 0.079 . 1 . . . . . 1172 GLY N . 17549 1 566 . 1 1 131 131 ASP HA H 1 4.735 0.018 . 1 . . . . . 1173 ASP HA . 17549 1 567 . 1 1 131 131 ASP C C 13 176.356 0.000 . 1 . . . . . 1173 ASP C . 17549 1 568 . 1 1 131 131 ASP CA C 13 53.855 0.005 . 1 . . . . . 1173 ASP CA . 17549 1 569 . 1 1 132 132 ILE H H 1 8.224 0.007 . 1 . . . . . 1174 ILE H . 17549 1 570 . 1 1 132 132 ILE HA H 1 4.219 0.011 . 1 . . . . . 1174 ILE HA . 17549 1 571 . 1 1 132 132 ILE C C 13 175.557 0.000 . 1 . . . . . 1174 ILE C . 17549 1 572 . 1 1 132 132 ILE CA C 13 60.820 0.054 . 1 . . . . . 1174 ILE CA . 17549 1 573 . 1 1 132 132 ILE N N 15 118.891 0.058 . 1 . . . . . 1174 ILE N . 17549 1 574 . 1 1 133 133 LEU H H 1 8.070 0.005 . 1 . . . . . 1175 LEU H . 17549 1 575 . 1 1 133 133 LEU HA H 1 3.989 0.010 . 1 . . . . . 1175 LEU HA . 17549 1 576 . 1 1 133 133 LEU C C 13 178.762 0.000 . 1 . . . . . 1175 LEU C . 17549 1 577 . 1 1 133 133 LEU CA C 13 58.115 0.005 . 1 . . . . . 1175 LEU CA . 17549 1 578 . 1 1 133 133 LEU N N 15 123.184 0.043 . 1 . . . . . 1175 LEU N . 17549 1 579 . 1 1 134 134 SER H H 1 8.953 0.005 . 1 . . . . . 1176 SER H . 17549 1 580 . 1 1 134 134 SER HA H 1 4.322 0.009 . 1 . . . . . 1176 SER HA . 17549 1 581 . 1 1 134 134 SER CA C 13 63.971 0.023 . 1 . . . . . 1176 SER CA . 17549 1 582 . 1 1 134 134 SER N N 15 115.138 0.051 . 1 . . . . . 1176 SER N . 17549 1 583 . 1 1 135 135 PRO HA H 1 4.281 0.007 . 1 . . . . . 1177 PRO HA . 17549 1 584 . 1 1 135 135 PRO C C 13 180.030 0.000 . 1 . . . . . 1177 PRO C . 17549 1 585 . 1 1 135 135 PRO CA C 13 65.340 0.007 . 1 . . . . . 1177 PRO CA . 17549 1 586 . 1 1 136 136 ILE H H 1 7.222 0.010 . 1 . . . . . 1178 ILE H . 17549 1 587 . 1 1 136 136 ILE HA H 1 3.480 0.011 . 1 . . . . . 1178 ILE HA . 17549 1 588 . 1 1 136 136 ILE C C 13 177.029 0.000 . 1 . . . . . 1178 ILE C . 17549 1 589 . 1 1 136 136 ILE CA C 13 65.975 0.006 . 1 . . . . . 1178 ILE CA . 17549 1 590 . 1 1 136 136 ILE N N 15 118.119 0.044 . 1 . . . . . 1178 ILE N . 17549 1 591 . 1 1 137 137 ARG H H 1 8.791 0.004 . 1 . . . . . 1179 ARG H . 17549 1 592 . 1 1 137 137 ARG HA H 1 4.272 0.024 . 1 . . . . . 1179 ARG HA . 17549 1 593 . 1 1 137 137 ARG C C 13 179.693 0.000 . 1 . . . . . 1179 ARG C . 17549 1 594 . 1 1 137 137 ARG CA C 13 59.253 0.010 . 1 . . . . . 1179 ARG CA . 17549 1 595 . 1 1 137 137 ARG N N 15 121.221 0.045 . 1 . . . . . 1179 ARG N . 17549 1 596 . 1 1 138 138 GLU H H 1 8.403 0.004 . 1 . . . . . 1180 GLU H . 17549 1 597 . 1 1 138 138 GLU HA H 1 4.051 0.013 . 1 . . . . . 1180 GLU HA . 17549 1 598 . 1 1 138 138 GLU C C 13 179.067 0.000 . 1 . . . . . 1180 GLU C . 17549 1 599 . 1 1 138 138 GLU CA C 13 59.198 0.078 . 1 . . . . . 1180 GLU CA . 17549 1 600 . 1 1 138 138 GLU N N 15 120.066 0.074 . 1 . . . . . 1180 GLU N . 17549 1 601 . 1 1 139 139 ALA H H 1 7.714 0.008 . 1 . . . . . 1181 ALA H . 17549 1 602 . 1 1 139 139 ALA HA H 1 3.420 0.009 . 1 . . . . . 1181 ALA HA . 17549 1 603 . 1 1 139 139 ALA CA C 13 55.216 0.096 . 1 . . . . . 1181 ALA CA . 17549 1 604 . 1 1 139 139 ALA N N 15 122.316 0.053 . 1 . . . . . 1181 ALA N . 17549 1 605 . 1 1 140 140 GLN H H 1 8.612 0.005 . 1 . . . . . 1182 GLN H . 17549 1 606 . 1 1 140 140 GLN HA H 1 4.493 0.017 . 1 . . . . . 1182 GLN HA . 17549 1 607 . 1 1 140 140 GLN C C 13 181.747 0.000 . 1 . . . . . 1182 GLN C . 17549 1 608 . 1 1 140 140 GLN CA C 13 58.915 0.098 . 1 . . . . . 1182 GLN CA . 17549 1 609 . 1 1 140 140 GLN N N 15 118.451 0.055 . 1 . . . . . 1182 GLN N . 17549 1 610 . 1 1 141 141 THR H H 1 8.956 0.004 . 1 . . . . . 1183 THR H . 17549 1 611 . 1 1 141 141 THR HA H 1 4.116 0.010 . 1 . . . . . 1183 THR HA . 17549 1 612 . 1 1 141 141 THR CA C 13 65.871 0.087 . 1 . . . . . 1183 THR CA . 17549 1 613 . 1 1 141 141 THR N N 15 116.913 0.058 . 1 . . . . . 1183 THR N . 17549 1 614 . 1 1 142 142 SER H H 1 7.405 0.011 . 1 . . . . . 1184 SER H . 17549 1 615 . 1 1 142 142 SER HA H 1 4.621 0.016 . 1 . . . . . 1184 SER HA . 17549 1 616 . 1 1 142 142 SER C C 13 173.871 0.000 . 1 . . . . . 1184 SER C . 17549 1 617 . 1 1 142 142 SER CA C 13 59.721 0.000 . 1 . . . . . 1184 SER CA . 17549 1 618 . 1 1 142 142 SER N N 15 116.433 0.033 . 1 . . . . . 1184 SER N . 17549 1 619 . 1 1 143 143 GLY H H 1 7.975 0.006 . 1 . . . . . 1185 GLY H . 17549 1 620 . 1 1 143 143 GLY HA2 H 1 4.343 0.011 . 2 . . . . . 1185 GLY HA2 . 17549 1 621 . 1 1 143 143 GLY HA3 H 1 3.753 0.005 . 2 . . . . . 1185 GLY HA3 . 17549 1 622 . 1 1 143 143 GLY C C 13 174.524 0.000 . 1 . . . . . 1185 GLY C . 17549 1 623 . 1 1 143 143 GLY CA C 13 45.062 0.052 . 1 . . . . . 1185 GLY CA . 17549 1 624 . 1 1 143 143 GLY N N 15 108.560 0.036 . 1 . . . . . 1185 GLY N . 17549 1 625 . 1 1 144 144 LEU H H 1 7.524 0.009 . 1 . . . . . 1186 LEU H . 17549 1 626 . 1 1 144 144 LEU HA H 1 4.511 0.014 . 1 . . . . . 1186 LEU HA . 17549 1 627 . 1 1 144 144 LEU C C 13 175.976 0.000 . 1 . . . . . 1186 LEU C . 17549 1 628 . 1 1 144 144 LEU CA C 13 53.918 0.045 . 1 . . . . . 1186 LEU CA . 17549 1 629 . 1 1 144 144 LEU N N 15 120.307 0.034 . 1 . . . . . 1186 LEU N . 17549 1 630 . 1 1 145 145 LYS H H 1 8.312 0.012 . 1 . . . . . 1187 K H . 17549 1 631 . 1 1 145 145 LYS HA H 1 4.593 0.009 . 1 . . . . . 1187 K HA . 17549 1 632 . 1 1 145 145 LYS CA C 13 55.117 0.002 . 1 . . . . . 1187 K CA . 17549 1 633 . 1 1 145 145 LYS N N 15 121.648 0.037 . 1 . . . . . 1187 K N . 17549 1 634 . 1 1 146 146 VAL H H 1 8.703 0.007 . 1 . . . . . 1188 VAL H . 17549 1 635 . 1 1 146 146 VAL HA H 1 4.925 0.005 . 1 . . . . . 1188 VAL HA . 17549 1 636 . 1 1 146 146 VAL C C 13 174.869 0.000 . 1 . . . . . 1188 VAL C . 17549 1 637 . 1 1 146 146 VAL CA C 13 61.299 0.033 . 1 . . . . . 1188 VAL CA . 17549 1 638 . 1 1 146 146 VAL N N 15 124.134 0.074 . 1 . . . . . 1188 VAL N . 17549 1 639 . 1 1 147 147 MET H H 1 8.915 0.006 . 1 . . . . . 1189 MET H . 17549 1 640 . 1 1 147 147 MET HA H 1 5.248 0.017 . 1 . . . . . 1189 MET HA . 17549 1 641 . 1 1 147 147 MET C C 13 173.957 0.000 . 1 . . . . . 1189 MET C . 17549 1 642 . 1 1 147 147 MET CA C 13 54.190 0.003 . 1 . . . . . 1189 MET CA . 17549 1 643 . 1 1 147 147 MET N N 15 124.906 0.119 . 1 . . . . . 1189 MET N . 17549 1 644 . 1 1 148 148 ALA H H 1 9.015 0.004 . 1 . . . . . 1190 ALA H . 17549 1 645 . 1 1 148 148 ALA HA H 1 5.606 0.030 . 1 . . . . . 1190 ALA HA . 17549 1 646 . 1 1 148 148 ALA C C 13 174.286 0.000 . 1 . . . . . 1190 ALA C . 17549 1 647 . 1 1 148 148 ALA CA C 13 51.128 0.015 . 1 . . . . . 1190 ALA CA . 17549 1 648 . 1 1 148 148 ALA N N 15 122.276 0.039 . 1 . . . . . 1190 ALA N . 17549 1 649 . 1 1 149 149 LEU H H 1 9.282 0.024 . 1 . . . . . 1191 LEU H . 17549 1 650 . 1 1 149 149 LEU HA H 1 5.217 0.008 . 1 . . . . . 1191 LEU HA . 17549 1 651 . 1 1 149 149 LEU C C 13 174.426 0.000 . 1 . . . . . 1191 LEU C . 17549 1 652 . 1 1 149 149 LEU CA C 13 53.565 0.037 . 1 . . . . . 1191 LEU CA . 17549 1 653 . 1 1 149 149 LEU N N 15 123.993 0.071 . 1 . . . . . 1191 LEU N . 17549 1 654 . 1 1 150 150 SER H H 1 8.895 0.007 . 1 . . . . . 1192 SER H . 17549 1 655 . 1 1 150 150 SER HA H 1 5.169 0.016 . 1 . . . . . 1192 SER HA . 17549 1 656 . 1 1 150 150 SER CA C 13 57.996 0.082 . 1 . . . . . 1192 SER CA . 17549 1 657 . 1 1 150 150 SER N N 15 123.466 0.054 . 1 . . . . . 1192 SER N . 17549 1 658 . 1 1 151 151 LEU H H 1 8.812 0.009 . 1 . . . . . 1193 LEU H . 17549 1 659 . 1 1 151 151 LEU HA H 1 4.524 0.010 . 1 . . . . . 1193 LEU HA . 17549 1 660 . 1 1 151 151 LEU C C 13 176.575 0.000 . 1 . . . . . 1193 LEU C . 17549 1 661 . 1 1 151 151 LEU CA C 13 54.771 0.001 . 1 . . . . . 1193 LEU CA . 17549 1 662 . 1 1 151 151 LEU N N 15 126.002 0.072 . 1 . . . . . 1193 LEU N . 17549 1 663 . 1 1 152 152 VAL H H 1 8.601 0.006 . 1 . . . . . 1194 VAL H . 17549 1 664 . 1 1 152 152 VAL HA H 1 3.813 0.011 . 1 . . . . . 1194 VAL HA . 17549 1 665 . 1 1 152 152 VAL C C 13 176.144 0.000 . 1 . . . . . 1194 VAL C . 17549 1 666 . 1 1 152 152 VAL CA C 13 65.800 0.061 . 1 . . . . . 1194 VAL CA . 17549 1 667 . 1 1 152 152 VAL N N 15 120.525 0.060 . 1 . . . . . 1194 VAL N . 17549 1 668 . 1 1 153 153 GLY H H 1 8.787 0.009 . 1 . . . . . 1195 GLY H . 17549 1 669 . 1 1 153 153 GLY HA2 H 1 4.698 0.022 . 2 . . . . . 1195 GLY HA2 . 17549 1 670 . 1 1 153 153 GLY HA3 H 1 3.569 0.008 . 2 . . . . . 1195 GLY HA3 . 17549 1 671 . 1 1 153 153 GLY C C 13 175.929 0.000 . 1 . . . . . 1195 GLY C . 17549 1 672 . 1 1 153 153 GLY CA C 13 45.056 0.082 . 1 . . . . . 1195 GLY CA . 17549 1 673 . 1 1 153 153 GLY N N 15 116.360 0.065 . 1 . . . . . 1195 GLY N . 17549 1 674 . 1 1 154 154 ALA H H 1 8.266 0.006 . 1 . . . . . 1196 ALA H . 17549 1 675 . 1 1 154 154 ALA HA H 1 3.792 0.008 . 1 . . . . . 1196 ALA HA . 17549 1 676 . 1 1 154 154 ALA CA C 13 51.557 0.084 . 1 . . . . . 1196 ALA CA . 17549 1 677 . 1 1 154 154 ALA N N 15 121.406 0.047 . 1 . . . . . 1196 ALA N . 17549 1 678 . 1 1 155 155 ASP H H 1 8.606 0.008 . 1 . . . . . 1197 ASP H . 17549 1 679 . 1 1 155 155 ASP HA H 1 5.094 0.012 . 1 . . . . . 1197 ASP HA . 17549 1 680 . 1 1 155 155 ASP CA C 13 50.476 0.086 . 1 . . . . . 1197 ASP CA . 17549 1 681 . 1 1 155 155 ASP N N 15 118.671 0.051 . 1 . . . . . 1197 ASP N . 17549 1 682 . 1 1 156 156 PRO HA H 1 4.102 0.006 . 1 . . . . . 1198 PRO HA . 17549 1 683 . 1 1 156 156 PRO CA C 13 64.137 0.041 . 1 . . . . . 1198 PRO CA . 17549 1 684 . 1 1 157 157 GLU H H 1 7.879 0.005 . 1 . . . . . 1199 GLU H . 17549 1 685 . 1 1 157 157 GLU HA H 1 4.055 0.013 . 1 . . . . . 1199 GLU HA . 17549 1 686 . 1 1 157 157 GLU C C 13 178.832 0.000 . 1 . . . . . 1199 GLU C . 17549 1 687 . 1 1 157 157 GLU CA C 13 57.626 0.099 . 1 . . . . . 1199 GLU CA . 17549 1 688 . 1 1 157 157 GLU N N 15 116.861 0.052 . 1 . . . . . 1199 GLU N . 17549 1 689 . 1 1 158 158 GLN H H 1 7.521 0.008 . 1 . . . . . 1200 GLN H . 17549 1 690 . 1 1 158 158 GLN HA H 1 3.940 0.010 . 1 . . . . . 1200 GLN HA . 17549 1 691 . 1 1 158 158 GLN CA C 13 59.245 0.006 . 1 . . . . . 1200 GLN CA . 17549 1 692 . 1 1 158 158 GLN N N 15 116.452 0.044 . 1 . . . . . 1200 GLN N . 17549 1 693 . 1 1 159 159 LEU H H 1 7.454 0.009 . 1 . . . . . 1201 LEU H . 17549 1 694 . 1 1 159 159 LEU HA H 1 4.196 0.007 . 1 . . . . . 1201 LEU HA . 17549 1 695 . 1 1 159 159 LEU C C 13 177.240 0.000 . 1 . . . . . 1201 LEU C . 17549 1 696 . 1 1 159 159 LEU CA C 13 55.661 0.024 . 1 . . . . . 1201 LEU CA . 17549 1 697 . 1 1 159 159 LEU N N 15 116.074 0.051 . 1 . . . . . 1201 LEU N . 17549 1 698 . 1 1 160 160 ARG H H 1 7.424 0.013 . 1 . . . . . 1202 ARG H . 17549 1 699 . 1 1 160 160 ARG HA H 1 4.145 0.008 . 1 . . . . . 1202 ARG HA . 17549 1 700 . 1 1 160 160 ARG C C 13 177.130 0.000 . 1 . . . . . 1202 ARG C . 17549 1 701 . 1 1 160 160 ARG CA C 13 57.893 0.071 . 1 . . . . . 1202 ARG CA . 17549 1 702 . 1 1 160 160 ARG N N 15 117.735 0.046 . 1 . . . . . 1202 ARG N . 17549 1 703 . 1 1 161 161 ARG H H 1 7.467 0.007 . 1 . . . . . 1203 ARG H . 17549 1 704 . 1 1 161 161 ARG HA H 1 4.327 0.017 . 1 . . . . . 1203 ARG HA . 17549 1 705 . 1 1 161 161 ARG C C 13 175.976 0.000 . 1 . . . . . 1203 ARG C . 17549 1 706 . 1 1 161 161 ARG CA C 13 56.102 0.091 . 1 . . . . . 1203 ARG CA . 17549 1 707 . 1 1 161 161 ARG N N 15 117.663 0.039 . 1 . . . . . 1203 ARG N . 17549 1 708 . 1 1 162 162 LEU H H 1 7.642 0.010 . 1 . . . . . 1204 LEU H . 17549 1 709 . 1 1 162 162 LEU HA H 1 4.266 0.015 . 1 . . . . . 1204 LEU HA . 17549 1 710 . 1 1 162 162 LEU C C 13 176.422 0.000 . 1 . . . . . 1204 LEU C . 17549 1 711 . 1 1 162 162 LEU CA C 13 55.416 0.073 . 1 . . . . . 1204 LEU CA . 17549 1 712 . 1 1 162 162 LEU N N 15 121.122 0.064 . 1 . . . . . 1204 LEU N . 17549 1 713 . 1 1 163 163 ALA H H 1 7.847 0.008 . 1 . . . . . 1205 ALA H . 17549 1 714 . 1 1 163 163 ALA HA H 1 4.609 0.015 . 1 . . . . . 1205 ALA HA . 17549 1 715 . 1 1 163 163 ALA CA C 13 50.656 0.084 . 1 . . . . . 1205 ALA CA . 17549 1 716 . 1 1 163 163 ALA N N 15 122.977 0.065 . 1 . . . . . 1205 ALA N . 17549 1 717 . 1 1 164 164 PRO CA C 13 63.860 0.000 . 1 . . . . . 1206 PRO CA . 17549 1 718 . 1 1 165 165 GLY H H 1 8.609 0.005 . 1 . . . . . 1207 GLY H . 17549 1 719 . 1 1 165 165 GLY HA2 H 1 4.131 0.007 . 2 . . . . . 1207 GLY HA2 . 17549 1 720 . 1 1 165 165 GLY HA3 H 1 3.835 0.003 . 2 . . . . . 1207 GLY HA3 . 17549 1 721 . 1 1 165 165 GLY C C 13 174.387 0.000 . 1 . . . . . 1207 GLY C . 17549 1 722 . 1 1 165 165 GLY CA C 13 45.300 0.016 . 1 . . . . . 1207 GLY CA . 17549 1 723 . 1 1 165 165 GLY N N 15 109.994 0.045 . 1 . . . . . 1207 GLY N . 17549 1 724 . 1 1 166 166 THR H H 1 7.736 0.008 . 1 . . . . . 1208 THR H . 17549 1 725 . 1 1 166 166 THR HA H 1 4.345 0.006 . 1 . . . . . 1208 THR HA . 17549 1 726 . 1 1 166 166 THR C C 13 174.223 0.000 . 1 . . . . . 1208 THR C . 17549 1 727 . 1 1 166 166 THR CA C 13 61.859 0.007 . 1 . . . . . 1208 THR CA . 17549 1 728 . 1 1 166 166 THR N N 15 113.066 0.050 . 1 . . . . . 1208 THR N . 17549 1 729 . 1 1 167 167 ASP H H 1 8.472 0.007 . 1 . . . . . 1209 ASP H . 17549 1 730 . 1 1 167 167 ASP HA H 1 4.909 0.012 . 1 . . . . . 1209 ASP HA . 17549 1 731 . 1 1 167 167 ASP CA C 13 52.871 0.062 . 1 . . . . . 1209 ASP CA . 17549 1 732 . 1 1 167 167 ASP N N 15 124.320 0.062 . 1 . . . . . 1209 ASP N . 17549 1 733 . 1 1 168 168 PRO HA H 1 4.352 0.004 . 1 . . . . . 1210 PRO HA . 17549 1 734 . 1 1 168 168 PRO C C 13 177.365 0.000 . 1 . . . . . 1210 PRO C . 17549 1 735 . 1 1 168 168 PRO CA C 13 63.327 0.014 . 1 . . . . . 1210 PRO CA . 17549 1 736 . 1 1 169 169 ILE H H 1 8.230 0.009 . 1 . . . . . 1211 ILE H . 17549 1 737 . 1 1 169 169 ILE HA H 1 4.224 0.008 . 1 . . . . . 1211 ILE HA . 17549 1 738 . 1 1 169 169 ILE C C 13 176.046 0.000 . 1 . . . . . 1211 ILE C . 17549 1 739 . 1 1 169 169 ILE CA C 13 60.442 0.074 . 1 . . . . . 1211 ILE CA . 17549 1 740 . 1 1 169 169 ILE N N 15 120.275 0.115 . 1 . . . . . 1211 ILE N . 17549 1 741 . 1 1 170 170 GLN H H 1 8.248 0.012 . 1 . . . . . 1212 GLN H . 17549 1 742 . 1 1 170 170 GLN HA H 1 4.134 0.013 . 1 . . . . . 1212 GLN HA . 17549 1 743 . 1 1 170 170 GLN C C 13 173.421 0.000 . 1 . . . . . 1212 GLN C . 17549 1 744 . 1 1 170 170 GLN CA C 13 56.910 0.023 . 1 . . . . . 1212 GLN CA . 17549 1 745 . 1 1 170 170 GLN N N 15 125.541 0.051 . 1 . . . . . 1212 GLN N . 17549 1 746 . 1 1 171 171 ASN H H 1 7.961 0.020 . 1 . . . . . 1213 ASN H . 17549 1 747 . 1 1 171 171 ASN HA H 1 5.395 0.009 . 1 . . . . . 1213 ASN HA . 17549 1 748 . 1 1 171 171 ASN CA C 13 51.945 0.030 . 1 . . . . . 1213 ASN CA . 17549 1 749 . 1 1 171 171 ASN N N 15 123.092 0.083 . 1 . . . . . 1213 ASN N . 17549 1 750 . 1 1 172 172 PHE H H 1 8.624 0.007 . 1 . . . . . 1214 PHE H . 17549 1 751 . 1 1 172 172 PHE CA C 13 57.213 0.000 . 1 . . . . . 1214 PHE CA . 17549 1 752 . 1 1 172 172 PHE N N 15 122.970 0.073 . 1 . . . . . 1214 PHE N . 17549 1 753 . 1 1 173 173 PHE HA H 1 5.417 0.012 . 1 . . . . . 1215 PHE HA . 17549 1 754 . 1 1 173 173 PHE C C 13 173.691 0.000 . 1 . . . . . 1215 PHE C . 17549 1 755 . 1 1 173 173 PHE CA C 13 55.784 0.007 . 1 . . . . . 1215 PHE CA . 17549 1 756 . 1 1 174 174 ALA H H 1 8.675 0.005 . 1 . . . . . 1216 ALA H . 17549 1 757 . 1 1 174 174 ALA HA H 1 4.297 0.000 . 1 . . . . . 1216 ALA HA . 17549 1 758 . 1 1 174 174 ALA CA C 13 51.061 0.037 . 1 . . . . . 1216 ALA CA . 17549 1 759 . 1 1 174 174 ALA N N 15 129.160 0.043 . 1 . . . . . 1216 ALA N . 17549 1 760 . 1 1 176 176 ASP HA H 1 4.479 0.008 . 1 . . . . . 1218 ASP HA . 17549 1 761 . 1 1 176 176 ASP CA C 13 53.512 0.002 . 1 . . . . . 1218 ASP CA . 17549 1 762 . 1 1 177 177 ASN H H 1 8.454 0.012 . 1 . . . . . 1219 ASN H . 17549 1 763 . 1 1 177 177 ASN HA H 1 5.041 0.019 . 1 . . . . . 1219 ASN HA . 17549 1 764 . 1 1 177 177 ASN C C 13 175.358 0.000 . 1 . . . . . 1219 ASN C . 17549 1 765 . 1 1 177 177 ASN CA C 13 53.426 0.083 . 1 . . . . . 1219 ASN CA . 17549 1 766 . 1 1 177 177 ASN N N 15 114.888 0.076 . 1 . . . . . 1219 ASN N . 17549 1 767 . 1 1 178 178 GLY H H 1 9.266 0.005 . 1 . . . . . 1220 GLY H . 17549 1 768 . 1 1 178 178 GLY HA2 H 1 4.439 0.006 . 2 . . . . . 1220 GLY HA2 . 17549 1 769 . 1 1 178 178 GLY HA3 H 1 3.906 0.007 . 2 . . . . . 1220 GLY HA3 . 17549 1 770 . 1 1 178 178 GLY CA C 13 44.045 0.000 . 1 . . . . . 1220 GLY CA . 17549 1 771 . 1 1 178 178 GLY N N 15 113.474 0.048 . 1 . . . . . 1220 GLY N . 17549 1 772 . 1 1 179 179 PRO HA H 1 4.425 0.007 . 1 . . . . . 1221 PRO HA . 17549 1 773 . 1 1 179 179 PRO C C 13 179.263 0.000 . 1 . . . . . 1221 PRO C . 17549 1 774 . 1 1 179 179 PRO CA C 13 64.677 0.064 . 1 . . . . . 1221 PRO CA . 17549 1 775 . 1 1 180 180 GLY H H 1 10.505 0.004 . 1 . . . . . 1222 GLY H . 17549 1 776 . 1 1 180 180 GLY HA2 H 1 3.915 0.012 . 2 . . . . . 1222 GLY HA2 . 17549 1 777 . 1 1 180 180 GLY HA3 H 1 3.661 0.012 . 2 . . . . . 1222 GLY HA3 . 17549 1 778 . 1 1 180 180 GLY C C 13 177.244 0.000 . 1 . . . . . 1222 GLY C . 17549 1 779 . 1 1 180 180 GLY CA C 13 46.996 0.052 . 1 . . . . . 1222 GLY CA . 17549 1 780 . 1 1 180 180 GLY N N 15 113.240 0.042 . 1 . . . . . 1222 GLY N . 17549 1 781 . 1 1 181 181 LEU H H 1 6.971 0.006 . 1 . . . . . 1223 LEU H . 17549 1 782 . 1 1 181 181 LEU HA H 1 4.276 0.007 . 1 . . . . . 1223 LEU HA . 17549 1 783 . 1 1 181 181 LEU C C 13 177.549 0.000 . 1 . . . . . 1223 LEU C . 17549 1 784 . 1 1 181 181 LEU CA C 13 57.895 0.031 . 1 . . . . . 1223 LEU CA . 17549 1 785 . 1 1 181 181 LEU N N 15 127.350 0.034 . 1 . . . . . 1223 LEU N . 17549 1 786 . 1 1 182 182 ASP H H 1 7.999 0.006 . 1 . . . . . 1224 ASP H . 17549 1 787 . 1 1 182 182 ASP HA H 1 4.180 0.007 . 1 . . . . . 1224 ASP HA . 17549 1 788 . 1 1 182 182 ASP C C 13 179.208 0.000 . 1 . . . . . 1224 ASP C . 17549 1 789 . 1 1 182 182 ASP CA C 13 57.863 0.010 . 1 . . . . . 1224 ASP CA . 17549 1 790 . 1 1 182 182 ASP N N 15 118.604 0.051 . 1 . . . . . 1224 ASP N . 17549 1 791 . 1 1 183 183 ARG H H 1 7.979 0.010 . 1 . . . . . 1225 ARG H . 17549 1 792 . 1 1 183 183 ARG HA H 1 4.284 0.002 . 1 . . . . . 1225 ARG HA . 17549 1 793 . 1 1 183 183 ARG C C 13 177.416 0.000 . 1 . . . . . 1225 ARG C . 17549 1 794 . 1 1 183 183 ARG CA C 13 59.468 0.002 . 1 . . . . . 1225 ARG CA . 17549 1 795 . 1 1 183 183 ARG N N 15 119.879 0.065 . 1 . . . . . 1225 ARG N . 17549 1 796 . 1 1 184 184 ALA H H 1 7.695 0.008 . 1 . . . . . 1226 ALA H . 17549 1 797 . 1 1 184 184 ALA HA H 1 4.352 0.021 . 1 . . . . . 1226 ALA HA . 17549 1 798 . 1 1 184 184 ALA C C 13 179.306 0.000 . 1 . . . . . 1226 ALA C . 17549 1 799 . 1 1 184 184 ALA CA C 13 55.369 0.081 . 1 . . . . . 1226 ALA CA . 17549 1 800 . 1 1 184 184 ALA N N 15 122.233 0.066 . 1 . . . . . 1226 ALA N . 17549 1 801 . 1 1 185 185 VAL H H 1 8.623 0.005 . 1 . . . . . 1227 VAL H . 17549 1 802 . 1 1 185 185 VAL HA H 1 3.365 0.009 . 1 . . . . . 1227 VAL HA . 17549 1 803 . 1 1 185 185 VAL C C 13 177.283 0.000 . 1 . . . . . 1227 VAL C . 17549 1 804 . 1 1 185 185 VAL CA C 13 66.771 0.011 . 1 . . . . . 1227 VAL CA . 17549 1 805 . 1 1 185 185 VAL N N 15 116.443 0.051 . 1 . . . . . 1227 VAL N . 17549 1 806 . 1 1 186 186 SER H H 1 7.967 0.009 . 1 . . . . . 1228 SER H . 17549 1 807 . 1 1 186 186 SER HA H 1 4.075 0.010 . 1 . . . . . 1228 SER HA . 17549 1 808 . 1 1 186 186 SER C C 13 176.571 0.000 . 1 . . . . . 1228 SER C . 17549 1 809 . 1 1 186 186 SER CA C 13 62.090 0.005 . 1 . . . . . 1228 SER CA . 17549 1 810 . 1 1 186 186 SER N N 15 115.954 0.031 . 1 . . . . . 1228 SER N . 17549 1 811 . 1 1 187 187 ASP H H 1 8.149 0.007 . 1 . . . . . 1229 ASP H . 17549 1 812 . 1 1 187 187 ASP HA H 1 4.303 0.010 . 1 . . . . . 1229 ASP HA . 17549 1 813 . 1 1 187 187 ASP CA C 13 57.243 0.052 . 1 . . . . . 1229 ASP CA . 17549 1 814 . 1 1 187 187 ASP N N 15 122.208 0.038 . 1 . . . . . 1229 ASP N . 17549 1 815 . 1 1 188 188 LEU H H 1 7.948 0.009 . 1 . . . . . 1230 LEU H . 17549 1 816 . 1 1 188 188 LEU HA H 1 3.232 0.019 . 1 . . . . . 1230 LEU HA . 17549 1 817 . 1 1 188 188 LEU C C 13 177.424 0.000 . 1 . . . . . 1230 LEU C . 17549 1 818 . 1 1 188 188 LEU CA C 13 57.489 0.024 . 1 . . . . . 1230 LEU CA . 17549 1 819 . 1 1 188 188 LEU N N 15 125.065 0.071 . 1 . . . . . 1230 LEU N . 17549 1 820 . 1 1 189 189 ALA H H 1 8.647 0.004 . 1 . . . . . 1231 ALA H . 17549 1 821 . 1 1 189 189 ALA HA H 1 3.805 0.004 . 1 . . . . . 1231 ALA HA . 17549 1 822 . 1 1 189 189 ALA C C 13 180.131 0.000 . 1 . . . . . 1231 ALA C . 17549 1 823 . 1 1 189 189 ALA CA C 13 55.698 0.059 . 1 . . . . . 1231 ALA CA . 17549 1 824 . 1 1 189 189 ALA N N 15 121.744 0.034 . 1 . . . . . 1231 ALA N . 17549 1 825 . 1 1 190 190 VAL H H 1 7.511 0.011 . 1 . . . . . 1232 VAL H . 17549 1 826 . 1 1 190 190 VAL HA H 1 3.776 0.016 . 1 . . . . . 1232 VAL HA . 17549 1 827 . 1 1 190 190 VAL C C 13 177.850 0.000 . 1 . . . . . 1232 VAL C . 17549 1 828 . 1 1 190 190 VAL CA C 13 66.071 0.037 . 1 . . . . . 1232 VAL CA . 17549 1 829 . 1 1 190 190 VAL N N 15 118.016 0.068 . 1 . . . . . 1232 VAL N . 17549 1 830 . 1 1 191 191 ALA H H 1 7.544 0.020 . 1 . . . . . 1233 ALA H . 17549 1 831 . 1 1 191 191 ALA HA H 1 4.221 0.183 . 1 . . . . . 1233 ALA HA . 17549 1 832 . 1 1 191 191 ALA C C 13 181.094 0.000 . 1 . . . . . 1233 ALA C . 17549 1 833 . 1 1 191 191 ALA CA C 13 55.128 0.054 . 1 . . . . . 1233 ALA CA . 17549 1 834 . 1 1 191 191 ALA N N 15 122.959 0.066 . 1 . . . . . 1233 ALA N . 17549 1 835 . 1 1 192 192 LEU H H 1 8.695 0.006 . 1 . . . . . 1234 LEU H . 17549 1 836 . 1 1 192 192 LEU HA H 1 3.843 0.021 . 1 . . . . . 1234 LEU HA . 17549 1 837 . 1 1 192 192 LEU C C 13 178.089 0.000 . 1 . . . . . 1234 LEU C . 17549 1 838 . 1 1 192 192 LEU CA C 13 57.999 0.000 . 1 . . . . . 1234 LEU CA . 17549 1 839 . 1 1 192 192 LEU N N 15 119.395 0.058 . 1 . . . . . 1234 LEU N . 17549 1 840 . 1 1 193 193 CYS H H 1 7.818 0.006 . 1 . . . . . 1235 CYS H . 17549 1 841 . 1 1 193 193 CYS HA H 1 4.402 0.003 . 1 . . . . . 1235 CYS HA . 17549 1 842 . 1 1 193 193 CYS C C 13 175.780 0.000 . 1 . . . . . 1235 CYS C . 17549 1 843 . 1 1 193 193 CYS CA C 13 57.859 0.031 . 1 . . . . . 1235 CYS CA . 17549 1 844 . 1 1 193 193 CYS N N 15 116.230 0.046 . 1 . . . . . 1235 CYS N . 17549 1 845 . 1 1 194 194 GLN H H 1 7.874 0.004 . 1 . . . . . 1236 GLN H . 17549 1 846 . 1 1 194 194 GLN HA H 1 4.390 0.010 . 1 . . . . . 1236 GLN HA . 17549 1 847 . 1 1 194 194 GLN C C 13 175.839 0.000 . 1 . . . . . 1236 GLN C . 17549 1 848 . 1 1 194 194 GLN CA C 13 56.159 0.054 . 1 . . . . . 1236 GLN CA . 17549 1 849 . 1 1 194 194 GLN N N 15 118.282 0.090 . 1 . . . . . 1236 GLN N . 17549 1 850 . 1 1 195 195 ALA H H 1 7.593 0.013 . 1 . . . . . 1237 ALA H . 17549 1 851 . 1 1 195 195 ALA HA H 1 4.176 0.005 . 1 . . . . . 1237 ALA HA . 17549 1 852 . 1 1 195 195 ALA C C 13 176.070 0.000 . 1 . . . . . 1237 ALA C . 17549 1 853 . 1 1 195 195 ALA CA C 13 53.425 0.056 . 1 . . . . . 1237 ALA CA . 17549 1 854 . 1 1 195 195 ALA N N 15 123.315 0.102 . 1 . . . . . 1237 ALA N . 17549 1 855 . 1 1 196 196 ALA H H 1 7.531 0.007 . 1 . . . . . 1238 ALA H . 17549 1 856 . 1 1 196 196 ALA HA H 1 4.101 0.019 . 1 . . . . . 1238 ALA HA . 17549 1 857 . 1 1 196 196 ALA CA C 13 53.404 0.091 . 1 . . . . . 1238 ALA CA . 17549 1 858 . 1 1 196 196 ALA N N 15 126.295 0.030 . 1 . . . . . 1238 ALA N . 17549 1 stop_ save_