data_26350 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26350 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for FOXO3a (1-284) phosphorylated on T32 and S253 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-30 _Entry.Accession_date 2024-09-02 _Entry.Last_release_date 2024-09-02 _Entry.Original_release_date 2024-09-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 ; The backbone chemical shift assignments for FOXO3a (1-284) phosphorylated on T32 and S253 were transferred from those of FOXO3a (1-146) phosphorylated on T32 (accession code: 26344) and those of FOXO3a (141-284) phosphorylated on S253 (accession code: 26347). ; _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 Shota Enomoto . . . . 26350 2 Shoichi Nakatsuka . . . . 26350 3 Tomoya Kuwayama . . . . 26350 4 Kosaku Kawatsu . . . . 26350 5 Mariko Yokogawa . . . . 26350 6 Masanori Osawa . . . . 26350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 212 26350 '1H chemical shifts' 212 26350 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 1 . . 2025-09-15 . original BMRB . 26350 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26344 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146) phosphorylated on T32' 26350 BMRB 26345 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (1-146)' 26350 BMRB 26346 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284)' 26350 BMRB 26347 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for FOXO3a (141-284) phosphorylated on S253' 26350 BMRB 26348 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for full length 14-3-3z' 26350 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26350 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39259470 _Citation.DOI 10.1007/s12104-024-10200-7 _Citation.Full_citation . _Citation.Title ; NMR (1)H, (13)C, (15)N backbone resonance assignments of 14-3-3z binding region of human FOXO3a (residues 1-284). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-2718 _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 275 _Citation.Page_last 283 _Citation.Year 2024 _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 Shota Enomoto S. . . . 26350 1 2 Shoichi Nakatsuka S. . . . 26350 1 3 Tomoya Kuwayama T. . . . 26350 1 4 Kosaku Kawatsu K. . . . 26350 1 5 Mariko Yokogawa M. . . . 26350 1 6 Masanori Osawa M. . . . 26350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26350 _Assembly.ID 1 _Assembly.Name 'FOXO3a (1-284) phosphorylated on T32 and S253' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30390 _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 'subunit 1' 1 $entity_1 . . yes native no yes . . . 26350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26350 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FOXO3a (1-284) phosphorylated on T32 and S253' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GPLGSMAEAPASPAPLSPLE VELDPEFEPQSRPRSCXWPL QRPELQASPAKPSGETAADS MIPEEEDDEDDEDGGGRAGS AMAIGGGGGSGTLGSGLLLE DSARVLAPGGQDPGSGPATA AGGLSGGTQALLQPQQPLPP PQPGAAGGSGQPRKCSSRRN AWGNLSYADLITRAIESSPD KRLTLSQIYEWMVRCVPYFK DKGDSNSSAGWKNSIRHNLS LHSRFMRVQNEGTGKSSWWI INPDGGKSGKAPRRRAVXMD NSNKYTKSRGRAAKKKAALQ TAPESADDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 289 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30390 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; first X = phosphorylated threonine second X = phosphorylated serine The minor signals of S30, C31, X32, and L35 were transferred from the backbone chemical shift assignments of FOXO3a (residues 1-146) phosphorylated on T32 (accession code: 26344). The minor signals were recorded in the Entity Assembly ID 2. ; _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 -5 GLY . 26350 1 2 -4 PRO . 26350 1 3 -3 LEU . 26350 1 4 -2 GLY . 26350 1 5 -1 SER . 26350 1 6 1 MET . 26350 1 7 2 ALA . 26350 1 8 3 GLU . 26350 1 9 4 ALA . 26350 1 10 5 PRO . 26350 1 11 6 ALA . 26350 1 12 7 SER . 26350 1 13 8 PRO . 26350 1 14 9 ALA . 26350 1 15 10 PRO . 26350 1 16 11 LEU . 26350 1 17 12 SER . 26350 1 18 13 PRO . 26350 1 19 14 LEU . 26350 1 20 15 GLU . 26350 1 21 16 VAL . 26350 1 22 17 GLU . 26350 1 23 18 LEU . 26350 1 24 19 ASP . 26350 1 25 20 PRO . 26350 1 26 21 GLU . 26350 1 27 22 PHE . 26350 1 28 23 GLU . 26350 1 29 24 PRO . 26350 1 30 25 GLN . 26350 1 31 26 SER . 26350 1 32 27 ARG . 26350 1 33 28 PRO . 26350 1 34 29 ARG . 26350 1 35 30 SER . 26350 1 36 31 CYS . 26350 1 37 32 TPO . 26350 1 38 33 TRP . 26350 1 39 34 PRO . 26350 1 40 35 LEU . 26350 1 41 36 GLN . 26350 1 42 37 ARG . 26350 1 43 38 PRO . 26350 1 44 39 GLU . 26350 1 45 40 LEU . 26350 1 46 41 GLN . 26350 1 47 42 ALA . 26350 1 48 43 SER . 26350 1 49 44 PRO . 26350 1 50 45 ALA . 26350 1 51 46 LYS . 26350 1 52 47 PRO . 26350 1 53 48 SER . 26350 1 54 49 GLY . 26350 1 55 50 GLU . 26350 1 56 51 THR . 26350 1 57 52 ALA . 26350 1 58 53 ALA . 26350 1 59 54 ASP . 26350 1 60 55 SER . 26350 1 61 56 MET . 26350 1 62 57 ILE . 26350 1 63 58 PRO . 26350 1 64 59 GLU . 26350 1 65 60 GLU . 26350 1 66 61 GLU . 26350 1 67 62 ASP . 26350 1 68 63 ASP . 26350 1 69 64 GLU . 26350 1 70 65 ASP . 26350 1 71 66 ASP . 26350 1 72 67 GLU . 26350 1 73 68 ASP . 26350 1 74 69 GLY . 26350 1 75 70 GLY . 26350 1 76 71 GLY . 26350 1 77 72 ARG . 26350 1 78 73 ALA . 26350 1 79 74 GLY . 26350 1 80 75 SER . 26350 1 81 76 ALA . 26350 1 82 77 MET . 26350 1 83 78 ALA . 26350 1 84 79 ILE . 26350 1 85 80 GLY . 26350 1 86 81 GLY . 26350 1 87 82 GLY . 26350 1 88 83 GLY . 26350 1 89 84 GLY . 26350 1 90 85 SER . 26350 1 91 86 GLY . 26350 1 92 87 THR . 26350 1 93 88 LEU . 26350 1 94 89 GLY . 26350 1 95 90 SER . 26350 1 96 91 GLY . 26350 1 97 92 LEU . 26350 1 98 93 LEU . 26350 1 99 94 LEU . 26350 1 100 95 GLU . 26350 1 101 96 ASP . 26350 1 102 97 SER . 26350 1 103 98 ALA . 26350 1 104 99 ARG . 26350 1 105 100 VAL . 26350 1 106 101 LEU . 26350 1 107 102 ALA . 26350 1 108 103 PRO . 26350 1 109 104 GLY . 26350 1 110 105 GLY . 26350 1 111 106 GLN . 26350 1 112 107 ASP . 26350 1 113 108 PRO . 26350 1 114 109 GLY . 26350 1 115 110 SER . 26350 1 116 111 GLY . 26350 1 117 112 PRO . 26350 1 118 113 ALA . 26350 1 119 114 THR . 26350 1 120 115 ALA . 26350 1 121 116 ALA . 26350 1 122 117 GLY . 26350 1 123 118 GLY . 26350 1 124 119 LEU . 26350 1 125 120 SER . 26350 1 126 121 GLY . 26350 1 127 122 GLY . 26350 1 128 123 THR . 26350 1 129 124 GLN . 26350 1 130 125 ALA . 26350 1 131 126 LEU . 26350 1 132 127 LEU . 26350 1 133 128 GLN . 26350 1 134 129 PRO . 26350 1 135 130 GLN . 26350 1 136 131 GLN . 26350 1 137 132 PRO . 26350 1 138 133 LEU . 26350 1 139 134 PRO . 26350 1 140 135 PRO . 26350 1 141 136 PRO . 26350 1 142 137 GLN . 26350 1 143 138 PRO . 26350 1 144 139 GLY . 26350 1 145 140 ALA . 26350 1 146 141 ALA . 26350 1 147 142 GLY . 26350 1 148 143 GLY . 26350 1 149 144 SER . 26350 1 150 145 GLY . 26350 1 151 146 GLN . 26350 1 152 147 PRO . 26350 1 153 148 ARG . 26350 1 154 149 LYS . 26350 1 155 150 CYS . 26350 1 156 151 SER . 26350 1 157 152 SER . 26350 1 158 153 ARG . 26350 1 159 154 ARG . 26350 1 160 155 ASN . 26350 1 161 156 ALA . 26350 1 162 157 TRP . 26350 1 163 158 GLY . 26350 1 164 159 ASN . 26350 1 165 160 LEU . 26350 1 166 161 SER . 26350 1 167 162 TYR . 26350 1 168 163 ALA . 26350 1 169 164 ASP . 26350 1 170 165 LEU . 26350 1 171 166 ILE . 26350 1 172 167 THR . 26350 1 173 168 ARG . 26350 1 174 169 ALA . 26350 1 175 170 ILE . 26350 1 176 171 GLU . 26350 1 177 172 SER . 26350 1 178 173 SER . 26350 1 179 174 PRO . 26350 1 180 175 ASP . 26350 1 181 176 LYS . 26350 1 182 177 ARG . 26350 1 183 178 LEU . 26350 1 184 179 THR . 26350 1 185 180 LEU . 26350 1 186 181 SER . 26350 1 187 182 GLN . 26350 1 188 183 ILE . 26350 1 189 184 TYR . 26350 1 190 185 GLU . 26350 1 191 186 TRP . 26350 1 192 187 MET . 26350 1 193 188 VAL . 26350 1 194 189 ARG . 26350 1 195 190 CYS . 26350 1 196 191 VAL . 26350 1 197 192 PRO . 26350 1 198 193 TYR . 26350 1 199 194 PHE . 26350 1 200 195 LYS . 26350 1 201 196 ASP . 26350 1 202 197 LYS . 26350 1 203 198 GLY . 26350 1 204 199 ASP . 26350 1 205 200 SER . 26350 1 206 201 ASN . 26350 1 207 202 SER . 26350 1 208 203 SER . 26350 1 209 204 ALA . 26350 1 210 205 GLY . 26350 1 211 206 TRP . 26350 1 212 207 LYS . 26350 1 213 208 ASN . 26350 1 214 209 SER . 26350 1 215 210 ILE . 26350 1 216 211 ARG . 26350 1 217 212 HIS . 26350 1 218 213 ASN . 26350 1 219 214 LEU . 26350 1 220 215 SER . 26350 1 221 216 LEU . 26350 1 222 217 HIS . 26350 1 223 218 SER . 26350 1 224 219 ARG . 26350 1 225 220 PHE . 26350 1 226 221 MET . 26350 1 227 222 ARG . 26350 1 228 223 VAL . 26350 1 229 224 GLN . 26350 1 230 225 ASN . 26350 1 231 226 GLU . 26350 1 232 227 GLY . 26350 1 233 228 THR . 26350 1 234 229 GLY . 26350 1 235 230 LYS . 26350 1 236 231 SER . 26350 1 237 232 SER . 26350 1 238 233 TRP . 26350 1 239 234 TRP . 26350 1 240 235 ILE . 26350 1 241 236 ILE . 26350 1 242 237 ASN . 26350 1 243 238 PRO . 26350 1 244 239 ASP . 26350 1 245 240 GLY . 26350 1 246 241 GLY . 26350 1 247 242 LYS . 26350 1 248 243 SER . 26350 1 249 244 GLY . 26350 1 250 245 LYS . 26350 1 251 246 ALA . 26350 1 252 247 PRO . 26350 1 253 248 ARG . 26350 1 254 249 ARG . 26350 1 255 250 ARG . 26350 1 256 251 ALA . 26350 1 257 252 VAL . 26350 1 258 253 SEP . 26350 1 259 254 MET . 26350 1 260 255 ASP . 26350 1 261 256 ASN . 26350 1 262 257 SER . 26350 1 263 258 ASN . 26350 1 264 259 LYS . 26350 1 265 260 TYR . 26350 1 266 261 THR . 26350 1 267 262 LYS . 26350 1 268 263 SER . 26350 1 269 264 ARG . 26350 1 270 265 GLY . 26350 1 271 266 ARG . 26350 1 272 267 ALA . 26350 1 273 268 ALA . 26350 1 274 269 LYS . 26350 1 275 270 LYS . 26350 1 276 271 LYS . 26350 1 277 272 ALA . 26350 1 278 273 ALA . 26350 1 279 274 LEU . 26350 1 280 275 GLN . 26350 1 281 276 THR . 26350 1 282 277 ALA . 26350 1 283 278 PRO . 26350 1 284 279 GLU . 26350 1 285 280 SER . 26350 1 286 281 ALA . 26350 1 287 282 ASP . 26350 1 288 283 ASP . 26350 1 289 284 SER . 26350 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 26350 1 . PRO 2 2 26350 1 . LEU 3 3 26350 1 . GLY 4 4 26350 1 . SER 5 5 26350 1 . MET 6 6 26350 1 . ALA 7 7 26350 1 . GLU 8 8 26350 1 . ALA 9 9 26350 1 . PRO 10 10 26350 1 . ALA 11 11 26350 1 . SER 12 12 26350 1 . PRO 13 13 26350 1 . ALA 14 14 26350 1 . PRO 15 15 26350 1 . LEU 16 16 26350 1 . SER 17 17 26350 1 . PRO 18 18 26350 1 . LEU 19 19 26350 1 . GLU 20 20 26350 1 . VAL 21 21 26350 1 . GLU 22 22 26350 1 . LEU 23 23 26350 1 . ASP 24 24 26350 1 . PRO 25 25 26350 1 . GLU 26 26 26350 1 . PHE 27 27 26350 1 . GLU 28 28 26350 1 . PRO 29 29 26350 1 . GLN 30 30 26350 1 . SER 31 31 26350 1 . ARG 32 32 26350 1 . PRO 33 33 26350 1 . ARG 34 34 26350 1 . SER 35 35 26350 1 . CYS 36 36 26350 1 . TPO 37 37 26350 1 . TRP 38 38 26350 1 . PRO 39 39 26350 1 . LEU 40 40 26350 1 . GLN 41 41 26350 1 . ARG 42 42 26350 1 . PRO 43 43 26350 1 . GLU 44 44 26350 1 . LEU 45 45 26350 1 . GLN 46 46 26350 1 . ALA 47 47 26350 1 . SER 48 48 26350 1 . PRO 49 49 26350 1 . ALA 50 50 26350 1 . LYS 51 51 26350 1 . PRO 52 52 26350 1 . SER 53 53 26350 1 . GLY 54 54 26350 1 . GLU 55 55 26350 1 . THR 56 56 26350 1 . ALA 57 57 26350 1 . ALA 58 58 26350 1 . ASP 59 59 26350 1 . SER 60 60 26350 1 . MET 61 61 26350 1 . ILE 62 62 26350 1 . PRO 63 63 26350 1 . GLU 64 64 26350 1 . GLU 65 65 26350 1 . GLU 66 66 26350 1 . ASP 67 67 26350 1 . ASP 68 68 26350 1 . GLU 69 69 26350 1 . ASP 70 70 26350 1 . ASP 71 71 26350 1 . GLU 72 72 26350 1 . ASP 73 73 26350 1 . GLY 74 74 26350 1 . GLY 75 75 26350 1 . GLY 76 76 26350 1 . ARG 77 77 26350 1 . ALA 78 78 26350 1 . GLY 79 79 26350 1 . SER 80 80 26350 1 . ALA 81 81 26350 1 . MET 82 82 26350 1 . ALA 83 83 26350 1 . ILE 84 84 26350 1 . GLY 85 85 26350 1 . GLY 86 86 26350 1 . GLY 87 87 26350 1 . GLY 88 88 26350 1 . GLY 89 89 26350 1 . SER 90 90 26350 1 . GLY 91 91 26350 1 . THR 92 92 26350 1 . LEU 93 93 26350 1 . GLY 94 94 26350 1 . SER 95 95 26350 1 . GLY 96 96 26350 1 . LEU 97 97 26350 1 . LEU 98 98 26350 1 . LEU 99 99 26350 1 . GLU 100 100 26350 1 . ASP 101 101 26350 1 . SER 102 102 26350 1 . ALA 103 103 26350 1 . ARG 104 104 26350 1 . VAL 105 105 26350 1 . LEU 106 106 26350 1 . ALA 107 107 26350 1 . PRO 108 108 26350 1 . GLY 109 109 26350 1 . GLY 110 110 26350 1 . GLN 111 111 26350 1 . ASP 112 112 26350 1 . PRO 113 113 26350 1 . GLY 114 114 26350 1 . SER 115 115 26350 1 . GLY 116 116 26350 1 . PRO 117 117 26350 1 . ALA 118 118 26350 1 . THR 119 119 26350 1 . ALA 120 120 26350 1 . ALA 121 121 26350 1 . GLY 122 122 26350 1 . GLY 123 123 26350 1 . LEU 124 124 26350 1 . SER 125 125 26350 1 . GLY 126 126 26350 1 . GLY 127 127 26350 1 . THR 128 128 26350 1 . GLN 129 129 26350 1 . ALA 130 130 26350 1 . LEU 131 131 26350 1 . LEU 132 132 26350 1 . GLN 133 133 26350 1 . PRO 134 134 26350 1 . GLN 135 135 26350 1 . GLN 136 136 26350 1 . PRO 137 137 26350 1 . LEU 138 138 26350 1 . PRO 139 139 26350 1 . PRO 140 140 26350 1 . PRO 141 141 26350 1 . GLN 142 142 26350 1 . PRO 143 143 26350 1 . GLY 144 144 26350 1 . ALA 145 145 26350 1 . ALA 146 146 26350 1 . GLY 147 147 26350 1 . GLY 148 148 26350 1 . SER 149 149 26350 1 . GLY 150 150 26350 1 . GLN 151 151 26350 1 . PRO 152 152 26350 1 . ARG 153 153 26350 1 . LYS 154 154 26350 1 . CYS 155 155 26350 1 . SER 156 156 26350 1 . SER 157 157 26350 1 . ARG 158 158 26350 1 . ARG 159 159 26350 1 . ASN 160 160 26350 1 . ALA 161 161 26350 1 . TRP 162 162 26350 1 . GLY 163 163 26350 1 . ASN 164 164 26350 1 . LEU 165 165 26350 1 . SER 166 166 26350 1 . TYR 167 167 26350 1 . ALA 168 168 26350 1 . ASP 169 169 26350 1 . LEU 170 170 26350 1 . ILE 171 171 26350 1 . THR 172 172 26350 1 . ARG 173 173 26350 1 . ALA 174 174 26350 1 . ILE 175 175 26350 1 . GLU 176 176 26350 1 . SER 177 177 26350 1 . SER 178 178 26350 1 . PRO 179 179 26350 1 . ASP 180 180 26350 1 . LYS 181 181 26350 1 . ARG 182 182 26350 1 . LEU 183 183 26350 1 . THR 184 184 26350 1 . LEU 185 185 26350 1 . SER 186 186 26350 1 . GLN 187 187 26350 1 . ILE 188 188 26350 1 . TYR 189 189 26350 1 . GLU 190 190 26350 1 . TRP 191 191 26350 1 . MET 192 192 26350 1 . VAL 193 193 26350 1 . ARG 194 194 26350 1 . CYS 195 195 26350 1 . VAL 196 196 26350 1 . PRO 197 197 26350 1 . TYR 198 198 26350 1 . PHE 199 199 26350 1 . LYS 200 200 26350 1 . ASP 201 201 26350 1 . LYS 202 202 26350 1 . GLY 203 203 26350 1 . ASP 204 204 26350 1 . SER 205 205 26350 1 . ASN 206 206 26350 1 . SER 207 207 26350 1 . SER 208 208 26350 1 . ALA 209 209 26350 1 . GLY 210 210 26350 1 . TRP 211 211 26350 1 . LYS 212 212 26350 1 . ASN 213 213 26350 1 . SER 214 214 26350 1 . ILE 215 215 26350 1 . ARG 216 216 26350 1 . HIS 217 217 26350 1 . ASN 218 218 26350 1 . LEU 219 219 26350 1 . SER 220 220 26350 1 . LEU 221 221 26350 1 . HIS 222 222 26350 1 . SER 223 223 26350 1 . ARG 224 224 26350 1 . PHE 225 225 26350 1 . MET 226 226 26350 1 . ARG 227 227 26350 1 . VAL 228 228 26350 1 . GLN 229 229 26350 1 . ASN 230 230 26350 1 . GLU 231 231 26350 1 . GLY 232 232 26350 1 . THR 233 233 26350 1 . GLY 234 234 26350 1 . LYS 235 235 26350 1 . SER 236 236 26350 1 . SER 237 237 26350 1 . TRP 238 238 26350 1 . TRP 239 239 26350 1 . ILE 240 240 26350 1 . ILE 241 241 26350 1 . ASN 242 242 26350 1 . PRO 243 243 26350 1 . ASP 244 244 26350 1 . GLY 245 245 26350 1 . GLY 246 246 26350 1 . LYS 247 247 26350 1 . SER 248 248 26350 1 . GLY 249 249 26350 1 . LYS 250 250 26350 1 . ALA 251 251 26350 1 . PRO 252 252 26350 1 . ARG 253 253 26350 1 . ARG 254 254 26350 1 . ARG 255 255 26350 1 . ALA 256 256 26350 1 . VAL 257 257 26350 1 . SEP 258 258 26350 1 . MET 259 259 26350 1 . ASP 260 260 26350 1 . ASN 261 261 26350 1 . SER 262 262 26350 1 . ASN 263 263 26350 1 . LYS 264 264 26350 1 . TYR 265 265 26350 1 . THR 266 266 26350 1 . LYS 267 267 26350 1 . SER 268 268 26350 1 . ARG 269 269 26350 1 . GLY 270 270 26350 1 . ARG 271 271 26350 1 . ALA 272 272 26350 1 . ALA 273 273 26350 1 . LYS 274 274 26350 1 . LYS 275 275 26350 1 . LYS 276 276 26350 1 . ALA 277 277 26350 1 . ALA 278 278 26350 1 . LEU 279 279 26350 1 . GLN 280 280 26350 1 . THR 281 281 26350 1 . ALA 282 282 26350 1 . PRO 283 283 26350 1 . GLU 284 284 26350 1 . SER 285 285 26350 1 . ALA 286 286 26350 1 . ASP 287 287 26350 1 . ASP 288 288 26350 1 . SER 289 289 26350 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26350 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26350 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26350 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . plasmid . . pGEX6P-1 . . . 26350 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 26350 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 26350 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 26350 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26350 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 26350 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 26350 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 26350 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 26350 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26350 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 26350 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 26350 TPO CA CA CA CA . C . . S 0 . . . 1 N N . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 26350 TPO CB CB CB CB . C . . R 0 . . . 1 N N . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 26350 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 N N . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 26350 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 N N . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 26350 TPO P P P P . P . . N 0 . . . 1 N N . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 26350 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 26350 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 26350 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 26350 TPO C C C C . C . . N 0 . . . 1 N N . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 26350 TPO O O O O . O . . N 0 . . . 1 N N . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 26350 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 26350 TPO H H H H . H . . N 0 . . . 1 N N . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 26350 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 26350 TPO HA HA HA HA . H . . N 0 . . . 1 N N . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 26350 TPO HB HB HB HB . H . . N 0 . . . 1 N N . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 26350 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 N N . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 26350 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 N N . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 26350 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 N N . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 26350 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 26350 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 26350 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 26350 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 26350 TPO 2 . SING N H N N 2 . 26350 TPO 3 . SING N H2 N N 3 . 26350 TPO 4 . SING CA CB N N 4 . 26350 TPO 5 . SING CA C N N 5 . 26350 TPO 6 . SING CA HA N N 6 . 26350 TPO 7 . SING CB CG2 N N 7 . 26350 TPO 8 . SING CB OG1 N N 8 . 26350 TPO 9 . SING CB HB N N 9 . 26350 TPO 10 . SING CG2 HG21 N N 10 . 26350 TPO 11 . SING CG2 HG22 N N 11 . 26350 TPO 12 . SING CG2 HG23 N N 12 . 26350 TPO 13 . SING OG1 P N N 13 . 26350 TPO 14 . DOUB P O1P N N 14 . 26350 TPO 15 . SING P O2P N N 15 . 26350 TPO 16 . SING P O3P N N 16 . 26350 TPO 17 . SING O2P HOP2 N N 17 . 26350 TPO 18 . SING O3P HOP3 N N 18 . 26350 TPO 19 . DOUB C O N N 19 . 26350 TPO 20 . SING C OXT N N 20 . 26350 TPO 21 . SING OXT HXT N N 21 . 26350 TPO stop_ save_ save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 26350 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 26350 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 26350 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26350 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 26350 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 26350 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 26350 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 26350 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26350 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 26350 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 26350 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 26350 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 26350 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 26350 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 26350 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 26350 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 26350 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 26350 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 26350 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 26350 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 26350 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 26350 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 26350 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 26350 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 26350 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 26350 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 26350 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 26350 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 26350 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 26350 SEP 2 . SING N H N N 2 . 26350 SEP 3 . SING N H2 N N 3 . 26350 SEP 4 . SING CA CB N N 4 . 26350 SEP 5 . SING CA C N N 5 . 26350 SEP 6 . SING CA HA N N 6 . 26350 SEP 7 . SING CB OG N N 7 . 26350 SEP 8 . SING CB HB2 N N 8 . 26350 SEP 9 . SING CB HB3 N N 9 . 26350 SEP 10 . SING OG P N N 10 . 26350 SEP 11 . DOUB C O N N 11 . 26350 SEP 12 . SING C OXT N N 12 . 26350 SEP 13 . SING OXT HXT N N 13 . 26350 SEP 14 . DOUB P O1P N N 14 . 26350 SEP 15 . SING P O2P N N 15 . 26350 SEP 16 . SING P O3P N N 16 . 26350 SEP 17 . SING O2P HOP2 N N 17 . 26350 SEP 18 . SING O3P HOP3 N N 18 . 26350 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26350 _Sample.ID 1 _Sample.Name 'sample1_FOXO3a (1-284) phosphorylated on T32 and S253' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FOXO3a (1-284) phosphorylated on T32 and S253' '[U-15N; U-2H]' 1 $assembly_1 1 $entity_1 . protein 97 . . uM . . . . 26350 1 2 DTT 'natural abundance' . . . . . 'reducing agent' 1 . . mM . . . . 26350 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26350 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26350 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26350 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26350 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26350 _Sample.ID 2 _Sample.Name 'sample2_FOXO3a (1-284) phosphorylated on T32 and S253' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FOXO3a (1-284) phosphorylated on T32 and S253' '[U-15N; U-2H]' 1 $assembly_1 1 $entity_1 . protein 169 . . uM . . . . 26350 2 2 DTT 'natural abundance' . . . . . 'reducing agent' 1 . . mM . . . . 26350 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26350 2 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26350 2 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26350 2 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26350 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26350 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_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 pH 6.4 . pH 26350 1 pressure 1 . atm 26350 1 temperature 303 . K 26350 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26350 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.190 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26350 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26350 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.2.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26350 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 26350 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 26350 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AVANCE III 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26350 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26350 1 2 '2D 1H-15N TROSY' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 26350 1 3 '2D 1H-1H NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26350 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 26350 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_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 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 26350 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26350 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26350 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' 1 $sample_1 isotropic 26350 1 2 '2D 1H-15N TROSY' 2 $sample_2 isotropic 26350 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26350 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26350 1 2 $software_2 . . 26350 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LEU H H 1 8.406 0.01 . 1 . . . . . -3 LEU H . 26350 1 2 . 1 . 1 3 3 LEU N N 15 122.965 0.03 . 1 . . . . . -3 LEU N . 26350 1 3 . 1 . 1 4 4 GLY H H 1 8.302 0.01 . 1 . . . . . -2 GLY H . 26350 1 4 . 1 . 1 4 4 GLY N N 15 110.445 0.03 . 1 . . . . . -2 GLY N . 26350 1 5 . 1 . 1 5 5 SER H H 1 8.105 0.01 . 1 . . . . . -1 SER H . 26350 1 6 . 1 . 1 5 5 SER N N 15 116.345 0.03 . 1 . . . . . -1 SER N . 26350 1 7 . 1 . 1 8 8 GLU H H 1 8.150 0.01 . 1 . . . . . 3 GLU H . 26350 1 8 . 1 . 1 8 8 GLU N N 15 120.581 0.03 . 1 . . . . . 3 GLU N . 26350 1 9 . 1 . 1 9 9 ALA H H 1 8.182 0.01 . 1 . . . . . 4 ALA H . 26350 1 10 . 1 . 1 9 9 ALA N N 15 127.099 0.03 . 1 . . . . . 4 ALA N . 26350 1 11 . 1 . 1 11 11 ALA H H 1 8.284 0.01 . 1 . . . . . 6 ALA H . 26350 1 12 . 1 . 1 11 11 ALA N N 15 125.056 0.03 . 1 . . . . . 6 ALA N . 26350 1 13 . 1 . 1 12 12 SER H H 1 8.171 0.01 . 1 . . . . . 7 SER H . 26350 1 14 . 1 . 1 12 12 SER N N 15 116.951 0.03 . 1 . . . . . 7 SER N . 26350 1 15 . 1 . 1 16 16 LEU H H 1 8.209 0.01 . 1 . . . . . 11 LEU H . 26350 1 16 . 1 . 1 16 16 LEU N N 15 122.972 0.03 . 1 . . . . . 11 LEU N . 26350 1 17 . 1 . 1 17 17 SER H H 1 8.217 0.01 . 1 . . . . . 12 SER H . 26350 1 18 . 1 . 1 17 17 SER N N 15 118.506 0.03 . 1 . . . . . 12 SER N . 26350 1 19 . 1 . 1 19 19 LEU H H 1 8.064 0.01 . 1 . . . . . 14 LEU H . 26350 1 20 . 1 . 1 19 19 LEU N N 15 121.713 0.03 . 1 . . . . . 14 LEU N . 26350 1 21 . 1 . 1 20 20 GLU H H 1 8.141 0.01 . 1 . . . . . 15 GLU H . 26350 1 22 . 1 . 1 20 20 GLU N N 15 121.956 0.03 . 1 . . . . . 15 GLU N . 26350 1 23 . 1 . 1 21 21 VAL H H 1 7.837 0.01 . 1 . . . . . 16 VAL H . 26350 1 24 . 1 . 1 21 21 VAL N N 15 120.689 0.03 . 1 . . . . . 16 VAL N . 26350 1 25 . 1 . 1 22 22 GLU H H 1 8.261 0.01 . 1 . . . . . 17 GLU H . 26350 1 26 . 1 . 1 22 22 GLU N N 15 124.707 0.03 . 1 . . . . . 17 GLU N . 26350 1 27 . 1 . 1 23 23 LEU H H 1 8.096 0.01 . 1 . . . . . 18 LEU H . 26350 1 28 . 1 . 1 23 23 LEU N N 15 124.250 0.03 . 1 . . . . . 18 LEU N . 26350 1 29 . 1 . 1 24 24 ASP H H 1 8.240 0.01 . 1 . . . . . 19 ASP H . 26350 1 30 . 1 . 1 24 24 ASP N N 15 123.572 0.03 . 1 . . . . . 19 ASP N . 26350 1 31 . 1 . 1 26 26 GLU H H 1 8.373 0.01 . 1 . . . . . 21 GLU H . 26350 1 32 . 1 . 1 26 26 GLU N N 15 119.895 0.03 . 1 . . . . . 21 GLU N . 26350 1 33 . 1 . 1 27 27 PHE H H 1 7.877 0.01 . 1 . . . . . 22 PHE H . 26350 1 34 . 1 . 1 27 27 PHE N N 15 120.711 0.03 . 1 . . . . . 22 PHE N . 26350 1 35 . 1 . 1 28 28 GLU H H 1 8.008 0.01 . 1 . . . . . 23 GLU H . 26350 1 36 . 1 . 1 28 28 GLU N N 15 124.683 0.03 . 1 . . . . . 23 GLU N . 26350 1 37 . 1 . 1 30 30 GLN H H 1 8.453 0.01 . 1 . . . . . 25 GLN H . 26350 1 38 . 1 . 1 30 30 GLN N N 15 119.964 0.03 . 1 . . . . . 25 GLN N . 26350 1 39 . 1 . 1 31 31 SER H H 1 8.124 0.01 . 1 . . . . . 26 SER H . 26350 1 40 . 1 . 1 31 31 SER N N 15 116.939 0.03 . 1 . . . . . 26 SER N . 26350 1 41 . 1 . 1 34 34 ARG H H 1 8.368 0.01 . 1 . . . . . 29 ARG H . 26350 1 42 . 1 . 1 34 34 ARG N N 15 122.175 0.03 . 1 . . . . . 29 ARG N . 26350 1 43 . 1 . 1 35 35 SER H H 1 8.426 0.01 . 1 . . . . . 30 SER H . 26350 1 44 . 1 . 1 35 35 SER N N 15 118.061 0.03 . 1 . . . . . 30 SER N . 26350 1 45 . 1 . 1 37 37 TPO H H 1 8.846 0.01 . 1 . . . . . 32 TPO H . 26350 1 46 . 1 . 1 37 37 TPO N N 15 119.957 0.03 . 1 . . . . . 32 TPO N . 26350 1 47 . 1 . 1 38 38 TRP H H 1 8.069 0.01 . 1 . . . . . 33 TRP H . 26350 1 48 . 1 . 1 38 38 TRP N N 15 125.999 0.03 . 1 . . . . . 33 TRP N . 26350 1 49 . 1 . 1 40 40 LEU H H 1 7.834 0.01 . 1 . . . . . 35 LEU H . 26350 1 50 . 1 . 1 40 40 LEU N N 15 122.187 0.03 . 1 . . . . . 35 LEU N . 26350 1 51 . 1 . 1 41 41 GLN H H 1 8.149 0.01 . 1 . . . . . 36 GLN H . 26350 1 52 . 1 . 1 41 41 GLN N N 15 121.176 0.03 . 1 . . . . . 36 GLN N . 26350 1 53 . 1 . 1 42 42 ARG H H 1 8.206 0.01 . 1 . . . . . 37 ARG H . 26350 1 54 . 1 . 1 42 42 ARG N N 15 123.811 0.03 . 1 . . . . . 37 ARG N . 26350 1 55 . 1 . 1 46 46 GLN H H 1 8.101 0.01 . 1 . . . . . 41 GLN H . 26350 1 56 . 1 . 1 46 46 GLN N N 15 121.423 0.03 . 1 . . . . . 41 GLN N . 26350 1 57 . 1 . 1 47 47 ALA H H 1 8.177 0.01 . 1 . . . . . 42 ALA H . 26350 1 58 . 1 . 1 47 47 ALA N N 15 125.929 0.03 . 1 . . . . . 42 ALA N . 26350 1 59 . 1 . 1 48 48 SER H H 1 8.207 0.01 . 1 . . . . . 43 SER H . 26350 1 60 . 1 . 1 48 48 SER N N 15 117.216 0.03 . 1 . . . . . 43 SER N . 26350 1 61 . 1 . 1 50 50 ALA H H 1 8.196 0.01 . 1 . . . . . 45 ALA H . 26350 1 62 . 1 . 1 50 50 ALA N N 15 124.796 0.03 . 1 . . . . . 45 ALA N . 26350 1 63 . 1 . 1 51 51 LYS H H 1 8.157 0.01 . 1 . . . . . 46 LYS H . 26350 1 64 . 1 . 1 51 51 LYS N N 15 122.404 0.03 . 1 . . . . . 46 LYS N . 26350 1 65 . 1 . 1 53 53 SER H H 1 8.356 0.01 . 1 . . . . . 48 SER H . 26350 1 66 . 1 . 1 53 53 SER N N 15 116.852 0.03 . 1 . . . . . 48 SER N . 26350 1 67 . 1 . 1 54 54 GLY H H 1 8.311 0.01 . 1 . . . . . 49 GLY H . 26350 1 68 . 1 . 1 54 54 GLY N N 15 111.335 0.03 . 1 . . . . . 49 GLY N . 26350 1 69 . 1 . 1 56 56 THR H H 1 8.156 0.01 . 1 . . . . . 51 THR H . 26350 1 70 . 1 . 1 56 56 THR N N 15 116.021 0.03 . 1 . . . . . 51 THR N . 26350 1 71 . 1 . 1 57 57 ALA H H 1 8.287 0.01 . 1 . . . . . 52 ALA H . 26350 1 72 . 1 . 1 57 57 ALA N N 15 127.339 0.03 . 1 . . . . . 52 ALA N . 26350 1 73 . 1 . 1 58 58 ALA H H 1 8.185 0.01 . 1 . . . . . 53 ALA H . 26350 1 74 . 1 . 1 58 58 ALA N N 15 123.878 0.03 . 1 . . . . . 53 ALA N . 26350 1 75 . 1 . 1 59 59 ASP H H 1 8.125 0.01 . 1 . . . . . 54 ASP H . 26350 1 76 . 1 . 1 59 59 ASP N N 15 119.417 0.03 . 1 . . . . . 54 ASP N . 26350 1 77 . 1 . 1 60 60 SER H H 1 7.994 0.01 . 1 . . . . . 55 SER H . 26350 1 78 . 1 . 1 60 60 SER N N 15 116.008 0.03 . 1 . . . . . 55 SER N . 26350 1 79 . 1 . 1 73 73 ASP H H 1 8.316 0.01 . 1 . . . . . 68 ASP H . 26350 1 80 . 1 . 1 73 73 ASP N N 15 121.320 0.03 . 1 . . . . . 68 ASP N . 26350 1 81 . 1 . 1 74 74 GLY H H 1 8.271 0.01 . 1 . . . . . 69 GLY H . 26350 1 82 . 1 . 1 74 74 GLY N N 15 110.277 0.03 . 1 . . . . . 69 GLY N . 26350 1 83 . 1 . 1 75 75 GLY H H 1 8.316 0.01 . 1 . . . . . 70 GLY H . 26350 1 84 . 1 . 1 75 75 GLY N N 15 109.629 0.03 . 1 . . . . . 70 GLY N . 26350 1 85 . 1 . 1 76 76 GLY H H 1 8.270 0.01 . 1 . . . . . 71 GLY H . 26350 1 86 . 1 . 1 76 76 GLY N N 15 109.674 0.03 . 1 . . . . . 71 GLY N . 26350 1 87 . 1 . 1 77 77 ARG H H 1 8.112 0.01 . 1 . . . . . 72 ARG H . 26350 1 88 . 1 . 1 77 77 ARG N N 15 121.255 0.03 . 1 . . . . . 72 ARG N . 26350 1 89 . 1 . 1 78 78 ALA H H 1 8.292 0.01 . 1 . . . . . 73 ALA H . 26350 1 90 . 1 . 1 78 78 ALA N N 15 125.374 0.03 . 1 . . . . . 73 ALA N . 26350 1 91 . 1 . 1 79 79 GLY H H 1 8.252 0.01 . 1 . . . . . 74 GLY H . 26350 1 92 . 1 . 1 79 79 GLY N N 15 108.770 0.03 . 1 . . . . . 74 GLY N . 26350 1 93 . 1 . 1 80 80 SER H H 1 8.051 0.01 . 1 . . . . . 75 SER H . 26350 1 94 . 1 . 1 80 80 SER N N 15 116.260 0.03 . 1 . . . . . 75 SER N . 26350 1 95 . 1 . 1 81 81 ALA H H 1 8.260 0.01 . 1 . . . . . 76 ALA H . 26350 1 96 . 1 . 1 81 81 ALA N N 15 126.203 0.03 . 1 . . . . . 76 ALA N . 26350 1 97 . 1 . 1 82 82 MET H H 1 8.068 0.01 . 1 . . . . . 77 MET H . 26350 1 98 . 1 . 1 82 82 MET N N 15 119.320 0.03 . 1 . . . . . 77 MET N . 26350 1 99 . 1 . 1 83 83 ALA H H 1 8.068 0.01 . 1 . . . . . 78 ALA H . 26350 1 100 . 1 . 1 83 83 ALA N N 15 125.618 0.03 . 1 . . . . . 78 ALA N . 26350 1 101 . 1 . 1 84 84 ILE H H 1 7.991 0.01 . 1 . . . . . 79 ILE H . 26350 1 102 . 1 . 1 84 84 ILE N N 15 120.666 0.03 . 1 . . . . . 79 ILE N . 26350 1 103 . 1 . 1 85 85 GLY H H 1 8.360 0.01 . 1 . . . . . 80 GLY H . 26350 1 104 . 1 . 1 85 85 GLY N N 15 113.207 0.03 . 1 . . . . . 80 GLY N . 26350 1 105 . 1 . 1 86 86 GLY H H 1 8.196 0.01 . 1 . . . . . 81 GLY H . 26350 1 106 . 1 . 1 86 86 GLY N N 15 109.425 0.03 . 1 . . . . . 81 GLY N . 26350 1 107 . 1 . 1 89 89 GLY H H 1 8.247 0.01 . 1 . . . . . 84 GLY H . 26350 1 108 . 1 . 1 89 89 GLY N N 15 109.596 0.03 . 1 . . . . . 84 GLY N . 26350 1 109 . 1 . 1 90 90 SER H H 1 8.232 0.01 . 1 . . . . . 85 SER H . 26350 1 110 . 1 . 1 90 90 SER N N 15 116.365 0.03 . 1 . . . . . 85 SER N . 26350 1 111 . 1 . 1 91 91 GLY H H 1 8.391 0.01 . 1 . . . . . 86 GLY H . 26350 1 112 . 1 . 1 91 91 GLY N N 15 111.434 0.03 . 1 . . . . . 86 GLY N . 26350 1 113 . 1 . 1 92 92 THR H H 1 7.975 0.01 . 1 . . . . . 87 THR H . 26350 1 114 . 1 . 1 92 92 THR N N 15 114.435 0.03 . 1 . . . . . 87 THR N . 26350 1 115 . 1 . 1 93 93 LEU H H 1 8.232 0.01 . 1 . . . . . 88 LEU H . 26350 1 116 . 1 . 1 93 93 LEU N N 15 125.115 0.03 . 1 . . . . . 88 LEU N . 26350 1 117 . 1 . 1 94 94 GLY H H 1 8.307 0.01 . 1 . . . . . 89 GLY H . 26350 1 118 . 1 . 1 94 94 GLY N N 15 110.367 0.03 . 1 . . . . . 89 GLY N . 26350 1 119 . 1 . 1 95 95 SER H H 1 8.136 0.01 . 1 . . . . . 90 SER H . 26350 1 120 . 1 . 1 95 95 SER N N 15 116.220 0.03 . 1 . . . . . 90 SER N . 26350 1 121 . 1 . 1 96 96 GLY H H 1 8.378 0.01 . 1 . . . . . 91 GLY H . 26350 1 122 . 1 . 1 96 96 GLY N N 15 111.426 0.03 . 1 . . . . . 91 GLY N . 26350 1 123 . 1 . 1 97 97 LEU H H 1 7.877 0.01 . 1 . . . . . 92 LEU H . 26350 1 124 . 1 . 1 97 97 LEU N N 15 122.043 0.03 . 1 . . . . . 92 LEU N . 26350 1 125 . 1 . 1 98 98 LEU H H 1 8.120 0.01 . 1 . . . . . 93 LEU H . 26350 1 126 . 1 . 1 98 98 LEU N N 15 123.431 0.03 . 1 . . . . . 93 LEU N . 26350 1 127 . 1 . 1 99 99 LEU H H 1 8.077 0.01 . 1 . . . . . 94 LEU H . 26350 1 128 . 1 . 1 99 99 LEU N N 15 123.829 0.03 . 1 . . . . . 94 LEU N . 26350 1 129 . 1 . 1 102 102 SER H H 1 8.148 0.01 . 1 . . . . . 97 SER H . 26350 1 130 . 1 . 1 102 102 SER N N 15 117.053 0.03 . 1 . . . . . 97 SER N . 26350 1 131 . 1 . 1 103 103 ALA H H 1 8.109 0.01 . 1 . . . . . 98 ALA H . 26350 1 132 . 1 . 1 103 103 ALA N N 15 125.371 0.03 . 1 . . . . . 98 ALA N . 26350 1 133 . 1 . 1 104 104 ARG H H 1 7.874 0.01 . 1 . . . . . 99 ARG H . 26350 1 134 . 1 . 1 104 104 ARG N N 15 119.968 0.03 . 1 . . . . . 99 ARG N . 26350 1 135 . 1 . 1 105 105 VAL H H 1 7.906 0.01 . 1 . . . . . 100 VAL H . 26350 1 136 . 1 . 1 105 105 VAL N N 15 121.481 0.03 . 1 . . . . . 100 VAL N . 26350 1 137 . 1 . 1 106 106 LEU H H 1 8.128 0.01 . 1 . . . . . 101 LEU H . 26350 1 138 . 1 . 1 106 106 LEU N N 15 126.384 0.03 . 1 . . . . . 101 LEU N . 26350 1 139 . 1 . 1 107 107 ALA H H 1 8.099 0.01 . 1 . . . . . 102 ALA H . 26350 1 140 . 1 . 1 107 107 ALA N N 15 126.585 0.03 . 1 . . . . . 102 ALA N . 26350 1 141 . 1 . 1 109 109 GLY H H 1 8.397 0.01 . 1 . . . . . 104 GLY H . 26350 1 142 . 1 . 1 109 109 GLY N N 15 110.049 0.03 . 1 . . . . . 104 GLY N . 26350 1 143 . 1 . 1 110 110 GLY H H 1 8.173 0.01 . 1 . . . . . 105 GLY H . 26350 1 144 . 1 . 1 110 110 GLY N N 15 109.292 0.03 . 1 . . . . . 105 GLY N . 26350 1 145 . 1 . 1 111 111 GLN H H 1 8.134 0.01 . 1 . . . . . 106 GLN H . 26350 1 146 . 1 . 1 111 111 GLN N N 15 120.089 0.03 . 1 . . . . . 106 GLN N . 26350 1 147 . 1 . 1 112 112 ASP H H 1 8.347 0.01 . 1 . . . . . 107 ASP H . 26350 1 148 . 1 . 1 112 112 ASP N N 15 123.966 0.03 . 1 . . . . . 107 ASP N . 26350 1 149 . 1 . 1 114 114 GLY H H 1 8.447 0.01 . 1 . . . . . 109 GLY H . 26350 1 150 . 1 . 1 114 114 GLY N N 15 109.339 0.03 . 1 . . . . . 109 GLY N . 26350 1 151 . 1 . 1 115 115 SER H H 1 7.983 0.01 . 1 . . . . . 110 SER H . 26350 1 152 . 1 . 1 115 115 SER N N 15 116.004 0.03 . 1 . . . . . 110 SER N . 26350 1 153 . 1 . 1 116 116 GLY H H 1 8.160 0.01 . 1 . . . . . 111 GLY H . 26350 1 154 . 1 . 1 116 116 GLY N N 15 111.289 0.03 . 1 . . . . . 111 GLY N . 26350 1 155 . 1 . 1 118 118 ALA H H 1 8.337 0.01 . 1 . . . . . 113 ALA H . 26350 1 156 . 1 . 1 118 118 ALA N N 15 124.468 0.03 . 1 . . . . . 113 ALA N . 26350 1 157 . 1 . 1 119 119 THR H H 1 7.924 0.01 . 1 . . . . . 114 THR H . 26350 1 158 . 1 . 1 119 119 THR N N 15 113.411 0.03 . 1 . . . . . 114 THR N . 26350 1 159 . 1 . 1 120 120 ALA H H 1 8.158 0.01 . 1 . . . . . 115 ALA H . 26350 1 160 . 1 . 1 120 120 ALA N N 15 126.775 0.03 . 1 . . . . . 115 ALA N . 26350 1 161 . 1 . 1 121 121 ALA H H 1 8.154 0.01 . 1 . . . . . 116 ALA H . 26350 1 162 . 1 . 1 121 121 ALA N N 15 123.859 0.03 . 1 . . . . . 116 ALA N . 26350 1 163 . 1 . 1 122 122 GLY H H 1 8.212 0.01 . 1 . . . . . 117 GLY H . 26350 1 164 . 1 . 1 122 122 GLY N N 15 108.618 0.03 . 1 . . . . . 117 GLY N . 26350 1 165 . 1 . 1 123 123 GLY H H 1 8.114 0.01 . 1 . . . . . 118 GLY H . 26350 1 166 . 1 . 1 123 123 GLY N N 15 109.177 0.03 . 1 . . . . . 118 GLY N . 26350 1 167 . 1 . 1 125 125 SER H H 1 8.250 0.01 . 1 . . . . . 120 SER H . 26350 1 168 . 1 . 1 125 125 SER N N 15 116.914 0.03 . 1 . . . . . 120 SER N . 26350 1 169 . 1 . 1 126 126 GLY H H 1 8.296 0.01 . 1 . . . . . 121 GLY H . 26350 1 170 . 1 . 1 126 126 GLY N N 15 111.353 0.03 . 1 . . . . . 121 GLY N . 26350 1 171 . 1 . 1 127 127 GLY H H 1 8.171 0.01 . 1 . . . . . 122 GLY H . 26350 1 172 . 1 . 1 127 127 GLY N N 15 109.288 0.03 . 1 . . . . . 122 GLY N . 26350 1 173 . 1 . 1 128 128 THR H H 1 8.030 0.01 . 1 . . . . . 123 THR H . 26350 1 174 . 1 . 1 128 128 THR N N 15 114.438 0.03 . 1 . . . . . 123 THR N . 26350 1 175 . 1 . 1 129 129 GLN H H 1 8.327 0.01 . 1 . . . . . 124 GLN H . 26350 1 176 . 1 . 1 129 129 GLN N N 15 123.138 0.03 . 1 . . . . . 124 GLN N . 26350 1 177 . 1 . 1 130 130 ALA H H 1 8.120 0.01 . 1 . . . . . 125 ALA H . 26350 1 178 . 1 . 1 130 130 ALA N N 15 125.367 0.03 . 1 . . . . . 125 ALA N . 26350 1 179 . 1 . 1 131 131 LEU H H 1 7.962 0.01 . 1 . . . . . 126 LEU H . 26350 1 180 . 1 . 1 131 131 LEU N N 15 121.268 0.03 . 1 . . . . . 126 LEU N . 26350 1 181 . 1 . 1 132 132 LEU H H 1 7.987 0.01 . 1 . . . . . 127 LEU H . 26350 1 182 . 1 . 1 132 132 LEU N N 15 123.129 0.03 . 1 . . . . . 127 LEU N . 26350 1 183 . 1 . 1 133 133 GLN H H 1 8.132 0.01 . 1 . . . . . 128 GLN H . 26350 1 184 . 1 . 1 133 133 GLN N N 15 122.393 0.03 . 1 . . . . . 128 GLN N . 26350 1 185 . 1 . 1 144 144 GLY H H 1 8.395 0.01 . 1 . . . . . 139 GLY H . 26350 1 186 . 1 . 1 144 144 GLY N N 15 110.055 0.03 . 1 . . . . . 139 GLY N . 26350 1 187 . 1 . 1 145 145 ALA H H 1 7.980 0.01 . 1 . . . . . 140 ALA H . 26350 1 188 . 1 . 1 145 145 ALA N N 15 124.375 0.03 . 1 . . . . . 140 ALA N . 26350 1 189 . 1 . 1 146 146 ALA H H 1 8.250 0.01 . 1 . . . . . 141 ALA H . 26350 1 190 . 1 . 1 146 146 ALA N N 15 123.875 0.03 . 1 . . . . . 141 ALA N . 26350 1 191 . 1 . 1 147 147 GLY H H 1 8.239 0.01 . 1 . . . . . 142 GLY H . 26350 1 192 . 1 . 1 147 147 GLY N N 15 108.714 0.03 . 1 . . . . . 142 GLY N . 26350 1 193 . 1 . 1 148 148 GLY H H 1 8.151 0.01 . 1 . . . . . 143 GLY H . 26350 1 194 . 1 . 1 148 148 GLY N N 15 109.435 0.03 . 1 . . . . . 143 GLY N . 26350 1 195 . 1 . 1 149 149 SER H H 1 8.249 0.01 . 1 . . . . . 144 SER H . 26350 1 196 . 1 . 1 149 149 SER N N 15 116.359 0.03 . 1 . . . . . 144 SER N . 26350 1 197 . 1 . 1 150 150 GLY H H 1 8.404 0.01 . 1 . . . . . 145 GLY H . 26350 1 198 . 1 . 1 150 150 GLY N N 15 111.380 0.03 . 1 . . . . . 145 GLY N . 26350 1 199 . 1 . 1 151 151 GLN H H 1 8.046 0.01 . 1 . . . . . 146 GLN H . 26350 1 200 . 1 . 1 151 151 GLN N N 15 121.293 0.03 . 1 . . . . . 146 GLN N . 26350 1 201 . 1 . 1 158 158 ARG H H 1 8.232 0.01 . 1 . . . . . 153 ARG H . 26350 1 202 . 1 . 1 158 158 ARG N N 15 123.748 0.03 . 1 . . . . . 153 ARG N . 26350 1 203 . 1 . 1 159 159 ARG H H 1 8.161 0.01 . 1 . . . . . 154 ARG H . 26350 1 204 . 1 . 1 159 159 ARG N N 15 122.521 0.03 . 1 . . . . . 154 ARG N . 26350 1 205 . 1 . 1 162 162 TRP H H 1 7.389 0.01 . 1 . . . . . 157 TRP H . 26350 1 206 . 1 . 1 162 162 TRP N N 15 116.738 0.03 . 1 . . . . . 157 TRP N . 26350 1 207 . 1 . 1 163 163 GLY H H 1 7.735 0.01 . 1 . . . . . 158 GLY H . 26350 1 208 . 1 . 1 163 163 GLY N N 15 110.128 0.03 . 1 . . . . . 158 GLY N . 26350 1 209 . 1 . 1 164 164 ASN H H 1 8.263 0.01 . 1 . . . . . 159 ASN H . 26350 1 210 . 1 . 1 164 164 ASN N N 15 119.197 0.03 . 1 . . . . . 159 ASN N . 26350 1 211 . 1 . 1 165 165 LEU H H 1 7.653 0.01 . 1 . . . . . 160 LEU H . 26350 1 212 . 1 . 1 165 165 LEU N N 15 121.502 0.03 . 1 . . . . . 160 LEU N . 26350 1 213 . 1 . 1 166 166 SER H H 1 8.893 0.01 . 1 . . . . . 161 SER H . 26350 1 214 . 1 . 1 166 166 SER N N 15 118.800 0.03 . 1 . . . . . 161 SER N . 26350 1 215 . 1 . 1 167 167 TYR H H 1 8.801 0.01 . 1 . . . . . 162 TYR H . 26350 1 216 . 1 . 1 167 167 TYR N N 15 121.344 0.03 . 1 . . . . . 162 TYR N . 26350 1 217 . 1 . 1 168 168 ALA H H 1 8.635 0.01 . 1 . . . . . 163 ALA H . 26350 1 218 . 1 . 1 168 168 ALA N N 15 120.192 0.03 . 1 . . . . . 163 ALA N . 26350 1 219 . 1 . 1 169 169 ASP H H 1 7.990 0.01 . 1 . . . . . 164 ASP H . 26350 1 220 . 1 . 1 169 169 ASP N N 15 121.377 0.03 . 1 . . . . . 164 ASP N . 26350 1 221 . 1 . 1 171 171 ILE H H 1 8.396 0.01 . 1 . . . . . 166 ILE H . 26350 1 222 . 1 . 1 171 171 ILE N N 15 119.153 0.03 . 1 . . . . . 166 ILE N . 26350 1 223 . 1 . 1 172 172 THR H H 1 7.814 0.01 . 1 . . . . . 167 THR H . 26350 1 224 . 1 . 1 172 172 THR N N 15 115.763 0.03 . 1 . . . . . 167 THR N . 26350 1 225 . 1 . 1 173 173 ARG H H 1 7.551 0.01 . 1 . . . . . 168 ARG H . 26350 1 226 . 1 . 1 173 173 ARG N N 15 120.705 0.03 . 1 . . . . . 168 ARG N . 26350 1 227 . 1 . 1 174 174 ALA H H 1 7.376 0.01 . 1 . . . . . 169 ALA H . 26350 1 228 . 1 . 1 174 174 ALA N N 15 123.875 0.03 . 1 . . . . . 169 ALA N . 26350 1 229 . 1 . 1 175 175 ILE H H 1 7.921 0.01 . 1 . . . . . 170 ILE H . 26350 1 230 . 1 . 1 175 175 ILE N N 15 118.706 0.03 . 1 . . . . . 170 ILE N . 26350 1 231 . 1 . 1 176 176 GLU H H 1 8.668 0.01 . 1 . . . . . 171 GLU H . 26350 1 232 . 1 . 1 176 176 GLU N N 15 118.834 0.03 . 1 . . . . . 171 GLU N . 26350 1 233 . 1 . 1 178 178 SER H H 1 7.450 0.01 . 1 . . . . . 173 SER H . 26350 1 234 . 1 . 1 178 178 SER N N 15 120.756 0.03 . 1 . . . . . 173 SER N . 26350 1 235 . 1 . 1 180 180 ASP H H 1 8.142 0.01 . 1 . . . . . 175 ASP H . 26350 1 236 . 1 . 1 180 180 ASP N N 15 114.336 0.03 . 1 . . . . . 175 ASP N . 26350 1 237 . 1 . 1 181 181 LYS H H 1 7.840 0.01 . 1 . . . . . 176 LYS H . 26350 1 238 . 1 . 1 181 181 LYS N N 15 116.953 0.03 . 1 . . . . . 176 LYS N . 26350 1 239 . 1 . 1 182 182 ARG H H 1 7.237 0.01 . 1 . . . . . 177 ARG H . 26350 1 240 . 1 . 1 182 182 ARG N N 15 113.298 0.03 . 1 . . . . . 177 ARG N . 26350 1 241 . 1 . 1 183 183 LEU H H 1 8.490 0.01 . 1 . . . . . 178 LEU H . 26350 1 242 . 1 . 1 183 183 LEU N N 15 120.389 0.03 . 1 . . . . . 178 LEU N . 26350 1 243 . 1 . 1 184 184 THR H H 1 8.817 0.01 . 1 . . . . . 179 THR H . 26350 1 244 . 1 . 1 184 184 THR N N 15 113.081 0.03 . 1 . . . . . 179 THR N . 26350 1 245 . 1 . 1 185 185 LEU H H 1 9.322 0.01 . 1 . . . . . 180 LEU H . 26350 1 246 . 1 . 1 185 185 LEU N N 15 122.859 0.03 . 1 . . . . . 180 LEU N . 26350 1 247 . 1 . 1 186 186 SER H H 1 8.309 0.01 . 1 . . . . . 181 SER H . 26350 1 248 . 1 . 1 186 186 SER N N 15 111.745 0.03 . 1 . . . . . 181 SER N . 26350 1 249 . 1 . 1 187 187 GLN H H 1 7.553 0.01 . 1 . . . . . 182 GLN H . 26350 1 250 . 1 . 1 187 187 GLN N N 15 120.897 0.03 . 1 . . . . . 182 GLN N . 26350 1 251 . 1 . 1 188 188 ILE H H 1 8.295 0.01 . 1 . . . . . 183 ILE H . 26350 1 252 . 1 . 1 188 188 ILE N N 15 125.032 0.03 . 1 . . . . . 183 ILE N . 26350 1 253 . 1 . 1 189 189 TYR H H 1 8.086 0.01 . 1 . . . . . 184 TYR H . 26350 1 254 . 1 . 1 189 189 TYR N N 15 118.786 0.03 . 1 . . . . . 184 TYR N . 26350 1 255 . 1 . 1 190 190 GLU H H 1 8.110 0.01 . 1 . . . . . 185 GLU H . 26350 1 256 . 1 . 1 190 190 GLU N N 15 118.101 0.03 . 1 . . . . . 185 GLU N . 26350 1 257 . 1 . 1 192 192 MET H H 1 8.160 0.01 . 1 . . . . . 187 MET H . 26350 1 258 . 1 . 1 192 192 MET N N 15 117.454 0.03 . 1 . . . . . 187 MET N . 26350 1 259 . 1 . 1 193 193 VAL H H 1 7.348 0.01 . 1 . . . . . 188 VAL H . 26350 1 260 . 1 . 1 193 193 VAL N N 15 115.044 0.03 . 1 . . . . . 188 VAL N . 26350 1 261 . 1 . 1 194 194 ARG H H 1 7.615 0.01 . 1 . . . . . 189 ARG H . 26350 1 262 . 1 . 1 194 194 ARG N N 15 118.985 0.03 . 1 . . . . . 189 ARG N . 26350 1 263 . 1 . 1 195 195 CYS H H 1 7.924 0.01 . 1 . . . . . 190 CYS H . 26350 1 264 . 1 . 1 195 195 CYS N N 15 113.480 0.03 . 1 . . . . . 190 CYS N . 26350 1 265 . 1 . 1 196 196 VAL H H 1 7.703 0.01 . 1 . . . . . 191 VAL H . 26350 1 266 . 1 . 1 196 196 VAL N N 15 122.316 0.03 . 1 . . . . . 191 VAL N . 26350 1 267 . 1 . 1 198 198 TYR H H 1 7.520 0.01 . 1 . . . . . 193 TYR H . 26350 1 268 . 1 . 1 198 198 TYR N N 15 115.747 0.03 . 1 . . . . . 193 TYR N . 26350 1 269 . 1 . 1 199 199 PHE H H 1 7.330 0.01 . 1 . . . . . 194 PHE H . 26350 1 270 . 1 . 1 199 199 PHE N N 15 114.792 0.03 . 1 . . . . . 194 PHE N . 26350 1 271 . 1 . 1 200 200 LYS H H 1 7.415 0.01 . 1 . . . . . 195 LYS H . 26350 1 272 . 1 . 1 200 200 LYS N N 15 120.949 0.03 . 1 . . . . . 195 LYS N . 26350 1 273 . 1 . 1 201 201 ASP H H 1 8.088 0.01 . 1 . . . . . 196 ASP H . 26350 1 274 . 1 . 1 201 201 ASP N N 15 117.840 0.03 . 1 . . . . . 196 ASP N . 26350 1 275 . 1 . 1 202 202 LYS H H 1 7.745 0.01 . 1 . . . . . 197 LYS H . 26350 1 276 . 1 . 1 202 202 LYS N N 15 120.397 0.03 . 1 . . . . . 197 LYS N . 26350 1 277 . 1 . 1 203 203 GLY H H 1 8.436 0.01 . 1 . . . . . 198 GLY H . 26350 1 278 . 1 . 1 203 203 GLY N N 15 108.763 0.03 . 1 . . . . . 198 GLY N . 26350 1 279 . 1 . 1 204 204 ASP H H 1 8.093 0.01 . 1 . . . . . 199 ASP H . 26350 1 280 . 1 . 1 204 204 ASP N N 15 120.162 0.03 . 1 . . . . . 199 ASP N . 26350 1 281 . 1 . 1 206 206 ASN H H 1 8.425 0.01 . 1 . . . . . 201 ASN H . 26350 1 282 . 1 . 1 206 206 ASN N N 15 120.451 0.03 . 1 . . . . . 201 ASN N . 26350 1 283 . 1 . 1 207 207 SER H H 1 8.211 0.01 . 1 . . . . . 202 SER H . 26350 1 284 . 1 . 1 207 207 SER N N 15 116.353 0.03 . 1 . . . . . 202 SER N . 26350 1 285 . 1 . 1 209 209 ALA H H 1 7.514 0.01 . 1 . . . . . 204 ALA H . 26350 1 286 . 1 . 1 209 209 ALA N N 15 124.573 0.03 . 1 . . . . . 204 ALA N . 26350 1 287 . 1 . 1 210 210 GLY H H 1 8.192 0.01 . 1 . . . . . 205 GLY H . 26350 1 288 . 1 . 1 210 210 GLY N N 15 107.545 0.03 . 1 . . . . . 205 GLY N . 26350 1 289 . 1 . 1 211 211 TRP H H 1 8.065 0.01 . 1 . . . . . 206 TRP H . 26350 1 290 . 1 . 1 211 211 TRP N N 15 123.231 0.03 . 1 . . . . . 206 TRP N . 26350 1 291 . 1 . 1 212 212 LYS H H 1 7.278 0.01 . 1 . . . . . 207 LYS H . 26350 1 292 . 1 . 1 212 212 LYS N N 15 122.966 0.03 . 1 . . . . . 207 LYS N . 26350 1 293 . 1 . 1 213 213 ASN H H 1 7.683 0.01 . 1 . . . . . 208 ASN H . 26350 1 294 . 1 . 1 213 213 ASN N N 15 119.554 0.03 . 1 . . . . . 208 ASN N . 26350 1 295 . 1 . 1 214 214 SER H H 1 8.028 0.01 . 1 . . . . . 209 SER H . 26350 1 296 . 1 . 1 214 214 SER N N 15 118.061 0.03 . 1 . . . . . 209 SER N . 26350 1 297 . 1 . 1 216 216 ARG H H 1 7.776 0.01 . 1 . . . . . 211 ARG H . 26350 1 298 . 1 . 1 216 216 ARG N N 15 119.307 0.03 . 1 . . . . . 211 ARG N . 26350 1 299 . 1 . 1 217 217 HIS H H 1 8.339 0.01 . 1 . . . . . 212 HIS H . 26350 1 300 . 1 . 1 217 217 HIS N N 15 117.931 0.03 . 1 . . . . . 212 HIS N . 26350 1 301 . 1 . 1 218 218 ASN H H 1 7.853 0.01 . 1 . . . . . 213 ASN H . 26350 1 302 . 1 . 1 218 218 ASN N N 15 118.072 0.03 . 1 . . . . . 213 ASN N . 26350 1 303 . 1 . 1 219 219 LEU H H 1 7.739 0.01 . 1 . . . . . 214 LEU H . 26350 1 304 . 1 . 1 219 219 LEU N N 15 120.108 0.03 . 1 . . . . . 214 LEU N . 26350 1 305 . 1 . 1 220 220 SER H H 1 7.073 0.01 . 1 . . . . . 215 SER H . 26350 1 306 . 1 . 1 220 220 SER N N 15 110.077 0.03 . 1 . . . . . 215 SER N . 26350 1 307 . 1 . 1 221 221 LEU H H 1 7.368 0.01 . 1 . . . . . 216 LEU H . 26350 1 308 . 1 . 1 221 221 LEU N N 15 121.491 0.03 . 1 . . . . . 216 LEU N . 26350 1 309 . 1 . 1 225 225 PHE H H 1 7.959 0.01 . 1 . . . . . 220 PHE H . 26350 1 310 . 1 . 1 225 225 PHE N N 15 118.822 0.03 . 1 . . . . . 220 PHE N . 26350 1 311 . 1 . 1 226 226 MET H H 1 9.181 0.01 . 1 . . . . . 221 MET H . 26350 1 312 . 1 . 1 226 226 MET N N 15 120.982 0.03 . 1 . . . . . 221 MET N . 26350 1 313 . 1 . 1 228 228 VAL H H 1 8.933 0.01 . 1 . . . . . 223 VAL H . 26350 1 314 . 1 . 1 228 228 VAL N N 15 125.978 0.03 . 1 . . . . . 223 VAL N . 26350 1 315 . 1 . 1 229 229 GLN H H 1 8.349 0.01 . 1 . . . . . 224 GLN H . 26350 1 316 . 1 . 1 229 229 GLN N N 15 124.528 0.03 . 1 . . . . . 224 GLN N . 26350 1 317 . 1 . 1 230 230 ASN H H 1 8.403 0.01 . 1 . . . . . 225 ASN H . 26350 1 318 . 1 . 1 230 230 ASN N N 15 122.419 0.03 . 1 . . . . . 225 ASN N . 26350 1 319 . 1 . 1 231 231 GLU H H 1 8.565 0.01 . 1 . . . . . 226 GLU H . 26350 1 320 . 1 . 1 231 231 GLU N N 15 123.186 0.03 . 1 . . . . . 226 GLU N . 26350 1 321 . 1 . 1 232 232 GLY H H 1 8.412 0.01 . 1 . . . . . 227 GLY H . 26350 1 322 . 1 . 1 232 232 GLY N N 15 110.019 0.03 . 1 . . . . . 227 GLY N . 26350 1 323 . 1 . 1 233 233 THR H H 1 8.031 0.01 . 1 . . . . . 228 THR H . 26350 1 324 . 1 . 1 233 233 THR N N 15 114.493 0.03 . 1 . . . . . 228 THR N . 26350 1 325 . 1 . 1 234 234 GLY H H 1 8.424 0.01 . 1 . . . . . 229 GLY H . 26350 1 326 . 1 . 1 234 234 GLY N N 15 112.646 0.03 . 1 . . . . . 229 GLY N . 26350 1 327 . 1 . 1 236 236 SER H H 1 8.059 0.01 . 1 . . . . . 231 SER H . 26350 1 328 . 1 . 1 236 236 SER N N 15 117.248 0.03 . 1 . . . . . 231 SER N . 26350 1 329 . 1 . 1 237 237 SER H H 1 8.064 0.01 . 1 . . . . . 232 SER H . 26350 1 330 . 1 . 1 237 237 SER N N 15 117.436 0.03 . 1 . . . . . 232 SER N . 26350 1 331 . 1 . 1 238 238 TRP H H 1 8.270 0.01 . 1 . . . . . 233 TRP H . 26350 1 332 . 1 . 1 238 238 TRP N N 15 121.539 0.03 . 1 . . . . . 233 TRP N . 26350 1 333 . 1 . 1 239 239 TRP H H 1 9.055 0.01 . 1 . . . . . 234 TRP H . 26350 1 334 . 1 . 1 239 239 TRP N N 15 122.594 0.03 . 1 . . . . . 234 TRP N . 26350 1 335 . 1 . 1 240 240 ILE H H 1 8.879 0.01 . 1 . . . . . 235 ILE H . 26350 1 336 . 1 . 1 240 240 ILE N N 15 113.462 0.03 . 1 . . . . . 235 ILE N . 26350 1 337 . 1 . 1 241 241 ILE H H 1 8.806 0.01 . 1 . . . . . 236 ILE H . 26350 1 338 . 1 . 1 241 241 ILE N N 15 121.666 0.03 . 1 . . . . . 236 ILE N . 26350 1 339 . 1 . 1 242 242 ASN H H 1 8.521 0.01 . 1 . . . . . 237 ASN H . 26350 1 340 . 1 . 1 242 242 ASN N N 15 127.044 0.03 . 1 . . . . . 237 ASN N . 26350 1 341 . 1 . 1 244 244 ASP H H 1 7.870 0.01 . 1 . . . . . 239 ASP H . 26350 1 342 . 1 . 1 244 244 ASP N N 15 119.008 0.03 . 1 . . . . . 239 ASP N . 26350 1 343 . 1 . 1 245 245 GLY H H 1 7.858 0.01 . 1 . . . . . 240 GLY H . 26350 1 344 . 1 . 1 245 245 GLY N N 15 109.281 0.03 . 1 . . . . . 240 GLY N . 26350 1 345 . 1 . 1 246 246 GLY H H 1 8.196 0.01 . 1 . . . . . 241 GLY H . 26350 1 346 . 1 . 1 246 246 GLY N N 15 109.193 0.03 . 1 . . . . . 241 GLY N . 26350 1 347 . 1 . 1 247 247 LYS H H 1 7.972 0.01 . 1 . . . . . 242 LYS H . 26350 1 348 . 1 . 1 247 247 LYS N N 15 121.155 0.03 . 1 . . . . . 242 LYS N . 26350 1 349 . 1 . 1 248 248 SER H H 1 8.239 0.01 . 1 . . . . . 243 SER H . 26350 1 350 . 1 . 1 248 248 SER N N 15 116.700 0.03 . 1 . . . . . 243 SER N . 26350 1 351 . 1 . 1 249 249 GLY H H 1 8.247 0.01 . 1 . . . . . 244 GLY H . 26350 1 352 . 1 . 1 249 249 GLY N N 15 111.351 0.03 . 1 . . . . . 244 GLY N . 26350 1 353 . 1 . 1 250 250 LYS H H 1 7.997 0.01 . 1 . . . . . 245 LYS H . 26350 1 354 . 1 . 1 250 250 LYS N N 15 121.226 0.03 . 1 . . . . . 245 LYS N . 26350 1 355 . 1 . 1 251 251 ALA H H 1 8.184 0.01 . 1 . . . . . 246 ALA H . 26350 1 356 . 1 . 1 251 251 ALA N N 15 127.097 0.03 . 1 . . . . . 246 ALA N . 26350 1 357 . 1 . 1 253 253 ARG H H 1 8.344 0.01 . 1 . . . . . 248 ARG H . 26350 1 358 . 1 . 1 253 253 ARG N N 15 122.173 0.03 . 1 . . . . . 248 ARG N . 26350 1 359 . 1 . 1 255 255 ARG H H 1 8.438 0.01 . 1 . . . . . 250 ARG H . 26350 1 360 . 1 . 1 255 255 ARG N N 15 123.567 0.03 . 1 . . . . . 250 ARG N . 26350 1 361 . 1 . 1 256 256 ALA H H 1 8.347 0.01 . 1 . . . . . 251 ALA H . 26350 1 362 . 1 . 1 256 256 ALA N N 15 126.677 0.03 . 1 . . . . . 251 ALA N . 26350 1 363 . 1 . 1 257 257 VAL H H 1 7.965 0.01 . 1 . . . . . 252 VAL H . 26350 1 364 . 1 . 1 257 257 VAL N N 15 118.826 0.03 . 1 . . . . . 252 VAL N . 26350 1 365 . 1 . 1 258 258 SEP H H 1 8.641 0.01 . 1 . . . . . 253 SEP H . 26350 1 366 . 1 . 1 258 258 SEP N N 15 120.653 0.03 . 1 . . . . . 253 SEP N . 26350 1 367 . 1 . 1 259 259 MET H H 1 8.232 0.01 . 1 . . . . . 254 MET H . 26350 1 368 . 1 . 1 259 259 MET N N 15 122.375 0.03 . 1 . . . . . 254 MET N . 26350 1 369 . 1 . 1 260 260 ASP H H 1 8.210 0.01 . 1 . . . . . 255 ASP H . 26350 1 370 . 1 . 1 260 260 ASP N N 15 121.785 0.03 . 1 . . . . . 255 ASP N . 26350 1 371 . 1 . 1 261 261 ASN H H 1 8.316 0.01 . 1 . . . . . 256 ASN H . 26350 1 372 . 1 . 1 261 261 ASN N N 15 120.696 0.03 . 1 . . . . . 256 ASN N . 26350 1 373 . 1 . 1 262 262 SER H H 1 8.318 0.01 . 1 . . . . . 257 SER H . 26350 1 374 . 1 . 1 262 262 SER N N 15 116.691 0.03 . 1 . . . . . 257 SER N . 26350 1 375 . 1 . 1 263 263 ASN H H 1 8.290 0.01 . 1 . . . . . 258 ASN H . 26350 1 376 . 1 . 1 263 263 ASN N N 15 120.752 0.03 . 1 . . . . . 258 ASN N . 26350 1 377 . 1 . 1 264 264 LYS H H 1 7.953 0.01 . 1 . . . . . 259 LYS H . 26350 1 378 . 1 . 1 264 264 LYS N N 15 121.167 0.03 . 1 . . . . . 259 LYS N . 26350 1 379 . 1 . 1 265 265 TYR H H 1 8.028 0.01 . 1 . . . . . 260 TYR H . 26350 1 380 . 1 . 1 265 265 TYR N N 15 120.167 0.03 . 1 . . . . . 260 TYR N . 26350 1 381 . 1 . 1 266 266 THR H H 1 7.846 0.01 . 1 . . . . . 261 THR H . 26350 1 382 . 1 . 1 266 266 THR N N 15 116.039 0.03 . 1 . . . . . 261 THR N . 26350 1 383 . 1 . 1 268 268 SER H H 1 8.150 0.01 . 1 . . . . . 263 SER H . 26350 1 384 . 1 . 1 268 268 SER N N 15 117.015 0.03 . 1 . . . . . 263 SER N . 26350 1 385 . 1 . 1 269 269 ARG H H 1 8.261 0.01 . 1 . . . . . 264 ARG H . 26350 1 386 . 1 . 1 269 269 ARG N N 15 123.645 0.03 . 1 . . . . . 264 ARG N . 26350 1 387 . 1 . 1 270 270 GLY H H 1 8.301 0.01 . 1 . . . . . 265 GLY H . 26350 1 388 . 1 . 1 270 270 GLY N N 15 110.126 0.03 . 1 . . . . . 265 GLY N . 26350 1 389 . 1 . 1 271 271 ARG H H 1 8.128 0.01 . 1 . . . . . 266 ARG H . 26350 1 390 . 1 . 1 271 271 ARG N N 15 121.568 0.03 . 1 . . . . . 266 ARG N . 26350 1 391 . 1 . 1 274 274 LYS H H 1 8.113 0.01 . 1 . . . . . 269 LYS H . 26350 1 392 . 1 . 1 274 274 LYS N N 15 121.442 0.03 . 1 . . . . . 269 LYS N . 26350 1 393 . 1 . 1 275 275 LYS H H 1 8.172 0.01 . 1 . . . . . 270 LYS H . 26350 1 394 . 1 . 1 275 275 LYS N N 15 123.291 0.03 . 1 . . . . . 270 LYS N . 26350 1 395 . 1 . 1 276 276 LYS H H 1 8.229 0.01 . 1 . . . . . 271 LYS H . 26350 1 396 . 1 . 1 276 276 LYS N N 15 123.678 0.03 . 1 . . . . . 271 LYS N . 26350 1 397 . 1 . 1 279 279 LEU H H 1 8.014 0.01 . 1 . . . . . 274 LEU H . 26350 1 398 . 1 . 1 279 279 LEU N N 15 121.436 0.03 . 1 . . . . . 274 LEU N . 26350 1 399 . 1 . 1 280 280 GLN H H 1 8.237 0.01 . 1 . . . . . 275 GLN H . 26350 1 400 . 1 . 1 280 280 GLN N N 15 121.560 0.03 . 1 . . . . . 275 GLN N . 26350 1 401 . 1 . 1 281 281 THR H H 1 7.996 0.01 . 1 . . . . . 276 THR H . 26350 1 402 . 1 . 1 281 281 THR N N 15 115.809 0.03 . 1 . . . . . 276 THR N . 26350 1 403 . 1 . 1 282 282 ALA H H 1 8.182 0.01 . 1 . . . . . 277 ALA H . 26350 1 404 . 1 . 1 282 282 ALA N N 15 128.053 0.03 . 1 . . . . . 277 ALA N . 26350 1 405 . 1 . 1 284 284 GLU H H 1 8.488 0.01 . 1 . . . . . 279 GLU H . 26350 1 406 . 1 . 1 284 284 GLU N N 15 121.238 0.03 . 1 . . . . . 279 GLU N . 26350 1 407 . 1 . 1 285 285 SER H H 1 8.176 0.01 . 1 . . . . . 280 SER H . 26350 1 408 . 1 . 1 285 285 SER N N 15 117.063 0.03 . 1 . . . . . 280 SER N . 26350 1 409 . 1 . 1 286 286 ALA H H 1 8.280 0.01 . 1 . . . . . 281 ALA H . 26350 1 410 . 1 . 1 286 286 ALA N N 15 126.842 0.03 . 1 . . . . . 281 ALA N . 26350 1 411 . 1 . 1 287 287 ASP H H 1 8.158 0.01 . 1 . . . . . 282 ASP H . 26350 1 412 . 1 . 1 287 287 ASP N N 15 120.082 0.03 . 1 . . . . . 282 ASP N . 26350 1 413 . 1 . 1 288 288 ASP H H 1 8.133 0.01 . 1 . . . . . 283 ASP H . 26350 1 414 . 1 . 1 288 288 ASP N N 15 121.719 0.03 . 1 . . . . . 283 ASP N . 26350 1 415 . 1 . 1 289 289 SER H H 1 7.788 0.01 . 1 . . . . . 284 SER H . 26350 1 416 . 1 . 1 289 289 SER N N 15 121.857 0.03 . 1 . . . . . 284 SER N . 26350 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 26350 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'The minor signals of S30, C31, X32, and L35 in FOXO3a (1-284) phosphorylated on T32 and S253' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' 1 $sample_1 isotropic 26350 2 2 '2D 1H-15N TROSY' 2 $sample_2 isotropic 26350 2 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26350 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26350 2 2 $software_2 . . 26350 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 35 35 SER H H 1 8.296 0.01 . 1 . . . . . 30 SER H . 26350 2 2 . 1 . 1 35 35 SER N N 15 117.926 0.03 . 1 . . . . . 30 SER N . 26350 2 3 . 1 . 1 36 36 CYS H H 1 8.289 0.01 . 1 . . . . . 31 CYS H . 26350 2 4 . 1 . 1 36 36 CYS N N 15 121.404 0.03 . 1 . . . . . 31 CYS N . 26350 2 5 . 1 . 1 37 37 TPO H H 1 8.784 0.01 . 1 . . . . . 32 TPO H . 26350 2 6 . 1 . 1 37 37 TPO N N 15 119.682 0.03 . 1 . . . . . 32 TPO N . 26350 2 7 . 1 . 1 40 40 LEU H H 1 7.981 0.01 . 1 . . . . . 35 LEU H . 26350 2 8 . 1 . 1 40 40 LEU N N 15 121.873 0.03 . 1 . . . . . 35 LEU N . 26350 2 stop_ save_