data_26648 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26648 _Entry.Title ; FVO Plasmodium falciparum AMA1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-04 _Entry.Accession_date 2015-09-04 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _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 Bankala Krishnarjuna . . . . 26648 2 'San Sui' Lim . . . . 26648 3 Shane Devine . M. . . 26648 4 Cael Debono . O. . . 26648 5 Raymond Lam . . . . 26648 6 Indu Chandrashekaran . R. . . 26648 7 Garima Jaipuria . . . . 26648 8 Hiromasa Yagi . . . . 26648 9 Christopher MacRaild . A. . . 26648 10 Hanudatta Atreya . S. . . 26648 11 Robin Anders . F. . . 26648 12 Martin Scanlon . J. . . 26648 13 Peter Scammells . J. . . 26648 14 Raymond Norton . S. . . 26648 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26648 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 26648 '15N chemical shifts' 218 26648 '1H chemical shifts' 218 26648 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 . . 2018-06-27 . original BMRB . 26648 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26648 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26804042 _Citation.Full_citation . _Citation.Title ; Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Recognit.' _Citation.Journal_name_full 'Journal of molecular recognition : JMR' _Citation.Journal_volume 29 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1099-1352 _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 281 _Citation.Page_last 291 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bankala Krishnarjuna B. . . . 26648 1 2 'San Sui' Lim S. S. . . 26648 1 3 Shane Devine S. M. . . 26648 1 4 Cael Debono C. O. . . 26648 1 5 Raymond Lam R. . . . 26648 1 6 Indu Chandrashekaran I. R. . . 26648 1 7 Garima Jaipuria G. . . . 26648 1 8 Hiromasa Yagi H. . . . 26648 1 9 Hanudatta Atreya H. S. . . 26648 1 10 Martin Scanlon M. J. . . 26648 1 11 Christopher MacRaild C. A. . . 26648 1 12 Peter Scammells P. J. . . 26648 1 13 Raymond Norton R. S. . . 26648 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FVO PfAMA1' 26648 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26648 _Assembly.ID 1 _Assembly.Name 'AMA1-RON2 complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hydrophobic cleft' 1 $FVO_PfAMA1 A . yes native no no . . . 26648 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 46 46 SG . 1 . 1 CYS 199 199 SG . . . . . . . . . . . . 26648 1 2 disulfide single . 1 . 1 CYS 114 114 SG . 1 . 1 CYS 144 144 SG . . . . . . . . . . . . 26648 1 3 disulfide single . 1 . 1 CYS 160 160 SG . 1 . 1 CYS 172 172 SG . . . . . . . . . . . . 26648 1 4 disulfide single . 1 . 1 CYS 217 217 SG . 1 . 1 CYS 315 315 SG . . . . . . . . . . . . 26648 1 5 disulfide single . 1 . 1 CYS 234 234 SG . 1 . 1 CYS 306 306 SG . . . . . . . . . . . . 26648 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FVO_PfAMA1 _Entity.Sf_category entity _Entity.Sf_framecode FVO_PfAMA1 _Entity.Entry_ID 26648 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FVO_PfAMA1 _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 ; NYMGNPWTEYMAKYDIEEVH GSGIRVDLGEDAEVAGTQYR LPSGKCPVFGKGIIIENSNT TFLKPVATGNQDLKDGGFAF PPTNPLISPMTLNGMRDFYK NNEYVKNLDELTLCSRHAGN MNPDNDKNSNYKYPAVYDYN DKKCHILYIAAFRNNGPRYC NKDQSKRNSMFCFKPAKDKL FENYTYLSKNVVDNWEEVCP RKNLENAKFGLWVDGNCEDI PHVNEFSANNDFLCNKLVFE LSASDQPKQYEQHLTDYEKI KEGFKNKNASMIKSAFLPTG AFKADRYKSHGKGYNWGNYN RETQKCEIFNVKPTCLINNS SYIATTALSHPIEVE ; _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 335 _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 1 104 ASN . 26648 1 2 105 TYR . 26648 1 3 106 MET . 26648 1 4 107 GLY . 26648 1 5 108 ASN . 26648 1 6 109 PRO . 26648 1 7 110 TRP . 26648 1 8 111 THR . 26648 1 9 112 GLU . 26648 1 10 113 TYR . 26648 1 11 114 MET . 26648 1 12 115 ALA . 26648 1 13 116 LYS . 26648 1 14 117 TYR . 26648 1 15 118 ASP . 26648 1 16 119 ILE . 26648 1 17 120 GLU . 26648 1 18 121 GLU . 26648 1 19 122 VAL . 26648 1 20 123 HIS . 26648 1 21 124 GLY . 26648 1 22 125 SER . 26648 1 23 126 GLY . 26648 1 24 127 ILE . 26648 1 25 128 ARG . 26648 1 26 129 VAL . 26648 1 27 130 ASP . 26648 1 28 131 LEU . 26648 1 29 132 GLY . 26648 1 30 133 GLU . 26648 1 31 134 ASP . 26648 1 32 135 ALA . 26648 1 33 136 GLU . 26648 1 34 137 VAL . 26648 1 35 138 ALA . 26648 1 36 139 GLY . 26648 1 37 140 THR . 26648 1 38 141 GLN . 26648 1 39 142 TYR . 26648 1 40 143 ARG . 26648 1 41 144 LEU . 26648 1 42 145 PRO . 26648 1 43 146 SER . 26648 1 44 147 GLY . 26648 1 45 148 LYS . 26648 1 46 149 CYS . 26648 1 47 150 PRO . 26648 1 48 151 VAL . 26648 1 49 152 PHE . 26648 1 50 153 GLY . 26648 1 51 154 LYS . 26648 1 52 155 GLY . 26648 1 53 156 ILE . 26648 1 54 157 ILE . 26648 1 55 158 ILE . 26648 1 56 159 GLU . 26648 1 57 160 ASN . 26648 1 58 161 SER . 26648 1 59 162 ASN . 26648 1 60 163 THR . 26648 1 61 164 THR . 26648 1 62 165 PHE . 26648 1 63 166 LEU . 26648 1 64 167 LYS . 26648 1 65 168 PRO . 26648 1 66 169 VAL . 26648 1 67 170 ALA . 26648 1 68 171 THR . 26648 1 69 172 GLY . 26648 1 70 173 ASN . 26648 1 71 174 GLN . 26648 1 72 175 ASP . 26648 1 73 176 LEU . 26648 1 74 177 LYS . 26648 1 75 178 ASP . 26648 1 76 179 GLY . 26648 1 77 180 GLY . 26648 1 78 181 PHE . 26648 1 79 182 ALA . 26648 1 80 183 PHE . 26648 1 81 184 PRO . 26648 1 82 185 PRO . 26648 1 83 186 THR . 26648 1 84 187 ASN . 26648 1 85 188 PRO . 26648 1 86 189 LEU . 26648 1 87 190 ILE . 26648 1 88 191 SER . 26648 1 89 192 PRO . 26648 1 90 193 MET . 26648 1 91 194 THR . 26648 1 92 195 LEU . 26648 1 93 196 ASN . 26648 1 94 197 GLY . 26648 1 95 198 MET . 26648 1 96 199 ARG . 26648 1 97 200 ASP . 26648 1 98 201 PHE . 26648 1 99 202 TYR . 26648 1 100 203 LYS . 26648 1 101 204 ASN . 26648 1 102 205 ASN . 26648 1 103 206 GLU . 26648 1 104 207 TYR . 26648 1 105 208 VAL . 26648 1 106 209 LYS . 26648 1 107 210 ASN . 26648 1 108 211 LEU . 26648 1 109 212 ASP . 26648 1 110 213 GLU . 26648 1 111 214 LEU . 26648 1 112 215 THR . 26648 1 113 216 LEU . 26648 1 114 217 CYS . 26648 1 115 218 SER . 26648 1 116 219 ARG . 26648 1 117 220 HIS . 26648 1 118 221 ALA . 26648 1 119 222 GLY . 26648 1 120 223 ASN . 26648 1 121 224 MET . 26648 1 122 225 ASN . 26648 1 123 226 PRO . 26648 1 124 227 ASP . 26648 1 125 228 ASN . 26648 1 126 229 ASP . 26648 1 127 230 LYS . 26648 1 128 231 ASN . 26648 1 129 232 SER . 26648 1 130 233 ASN . 26648 1 131 234 TYR . 26648 1 132 235 LYS . 26648 1 133 236 TYR . 26648 1 134 237 PRO . 26648 1 135 238 ALA . 26648 1 136 239 VAL . 26648 1 137 240 TYR . 26648 1 138 241 ASP . 26648 1 139 242 TYR . 26648 1 140 243 ASN . 26648 1 141 244 ASP . 26648 1 142 245 LYS . 26648 1 143 246 LYS . 26648 1 144 247 CYS . 26648 1 145 248 HIS . 26648 1 146 249 ILE . 26648 1 147 250 LEU . 26648 1 148 251 TYR . 26648 1 149 252 ILE . 26648 1 150 253 ALA . 26648 1 151 254 ALA . 26648 1 152 255 PHE . 26648 1 153 256 ARG . 26648 1 154 257 ASN . 26648 1 155 258 ASN . 26648 1 156 259 GLY . 26648 1 157 260 PRO . 26648 1 158 261 ARG . 26648 1 159 262 TYR . 26648 1 160 263 CYS . 26648 1 161 264 ASN . 26648 1 162 265 LYS . 26648 1 163 266 ASP . 26648 1 164 267 GLN . 26648 1 165 268 SER . 26648 1 166 269 LYS . 26648 1 167 270 ARG . 26648 1 168 271 ASN . 26648 1 169 272 SER . 26648 1 170 273 MET . 26648 1 171 274 PHE . 26648 1 172 275 CYS . 26648 1 173 276 PHE . 26648 1 174 277 LYS . 26648 1 175 278 PRO . 26648 1 176 279 ALA . 26648 1 177 280 LYS . 26648 1 178 281 ASP . 26648 1 179 282 LYS . 26648 1 180 283 LEU . 26648 1 181 284 PHE . 26648 1 182 285 GLU . 26648 1 183 286 ASN . 26648 1 184 287 TYR . 26648 1 185 288 THR . 26648 1 186 289 TYR . 26648 1 187 290 LEU . 26648 1 188 291 SER . 26648 1 189 292 LYS . 26648 1 190 293 ASN . 26648 1 191 294 VAL . 26648 1 192 295 VAL . 26648 1 193 296 ASP . 26648 1 194 297 ASN . 26648 1 195 298 TRP . 26648 1 196 299 GLU . 26648 1 197 300 GLU . 26648 1 198 301 VAL . 26648 1 199 302 CYS . 26648 1 200 303 PRO . 26648 1 201 304 ARG . 26648 1 202 305 LYS . 26648 1 203 306 ASN . 26648 1 204 307 LEU . 26648 1 205 308 GLU . 26648 1 206 309 ASN . 26648 1 207 310 ALA . 26648 1 208 311 LYS . 26648 1 209 312 PHE . 26648 1 210 313 GLY . 26648 1 211 314 LEU . 26648 1 212 315 TRP . 26648 1 213 316 VAL . 26648 1 214 317 ASP . 26648 1 215 318 GLY . 26648 1 216 319 ASN . 26648 1 217 320 CYS . 26648 1 218 321 GLU . 26648 1 219 322 ASP . 26648 1 220 323 ILE . 26648 1 221 324 PRO . 26648 1 222 325 HIS . 26648 1 223 326 VAL . 26648 1 224 327 ASN . 26648 1 225 328 GLU . 26648 1 226 329 PHE . 26648 1 227 330 SER . 26648 1 228 331 ALA . 26648 1 229 332 ASN . 26648 1 230 333 ASN . 26648 1 231 334 ASP . 26648 1 232 335 LEU . 26648 1 233 336 GLU . 26648 1 234 337 CYS . 26648 1 235 338 ASN . 26648 1 236 339 LYS . 26648 1 237 340 LEU . 26648 1 238 341 VAL . 26648 1 239 342 PHE . 26648 1 240 343 GLU . 26648 1 241 344 LEU . 26648 1 242 345 SER . 26648 1 243 346 ALA . 26648 1 244 347 SER . 26648 1 245 348 ASP . 26648 1 246 349 GLN . 26648 1 247 350 PRO . 26648 1 248 351 LYS . 26648 1 249 352 GLN . 26648 1 250 353 TYR . 26648 1 251 354 GLU . 26648 1 252 355 GLN . 26648 1 253 356 HIS . 26648 1 254 357 LEU . 26648 1 255 358 THR . 26648 1 256 359 ASP . 26648 1 257 360 TYR . 26648 1 258 361 GLU . 26648 1 259 362 LYS . 26648 1 260 363 ILE . 26648 1 261 364 LYS . 26648 1 262 365 GLU . 26648 1 263 366 GLY . 26648 1 264 367 PHE . 26648 1 265 368 LYS . 26648 1 266 369 ASN . 26648 1 267 370 LYS . 26648 1 268 371 ASN . 26648 1 269 372 ALA . 26648 1 270 373 SER . 26648 1 271 374 MET . 26648 1 272 375 ILE . 26648 1 273 376 LYS . 26648 1 274 377 SER . 26648 1 275 378 ALA . 26648 1 276 379 PHE . 26648 1 277 380 LEU . 26648 1 278 381 PRO . 26648 1 279 382 THR . 26648 1 280 383 GLY . 26648 1 281 384 ALA . 26648 1 282 385 PHE . 26648 1 283 386 LYS . 26648 1 284 387 ALA . 26648 1 285 388 ASP . 26648 1 286 389 ARG . 26648 1 287 390 TYR . 26648 1 288 391 LYS . 26648 1 289 392 SER . 26648 1 290 393 HIS . 26648 1 291 394 GLY . 26648 1 292 395 LYS . 26648 1 293 396 GLY . 26648 1 294 397 TYR . 26648 1 295 398 ASN . 26648 1 296 399 TRP . 26648 1 297 400 GLY . 26648 1 298 401 ASN . 26648 1 299 402 TYR . 26648 1 300 403 ASN . 26648 1 301 404 ARG . 26648 1 302 405 GLU . 26648 1 303 406 THR . 26648 1 304 407 GLN . 26648 1 305 408 LYS . 26648 1 306 409 CYS . 26648 1 307 410 GLU . 26648 1 308 411 ILE . 26648 1 309 412 PHE . 26648 1 310 413 ASN . 26648 1 311 414 VAL . 26648 1 312 415 LYS . 26648 1 313 416 PRO . 26648 1 314 417 THR . 26648 1 315 418 CYS . 26648 1 316 419 LEU . 26648 1 317 420 ILE . 26648 1 318 421 ASN . 26648 1 319 422 ASN . 26648 1 320 423 SER . 26648 1 321 424 SER . 26648 1 322 425 TYR . 26648 1 323 426 ILE . 26648 1 324 427 ALA . 26648 1 325 428 THR . 26648 1 326 429 THR . 26648 1 327 430 ALA . 26648 1 328 431 LEU . 26648 1 329 432 SER . 26648 1 330 433 HIS . 26648 1 331 434 PRO . 26648 1 332 435 ILE . 26648 1 333 436 GLU . 26648 1 334 437 VAL . 26648 1 335 438 GLU . 26648 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 . ASN 1 1 26648 1 . TYR 2 2 26648 1 . MET 3 3 26648 1 . GLY 4 4 26648 1 . ASN 5 5 26648 1 . PRO 6 6 26648 1 . TRP 7 7 26648 1 . THR 8 8 26648 1 . GLU 9 9 26648 1 . TYR 10 10 26648 1 . MET 11 11 26648 1 . ALA 12 12 26648 1 . LYS 13 13 26648 1 . TYR 14 14 26648 1 . ASP 15 15 26648 1 . ILE 16 16 26648 1 . GLU 17 17 26648 1 . GLU 18 18 26648 1 . VAL 19 19 26648 1 . HIS 20 20 26648 1 . GLY 21 21 26648 1 . SER 22 22 26648 1 . GLY 23 23 26648 1 . ILE 24 24 26648 1 . ARG 25 25 26648 1 . VAL 26 26 26648 1 . ASP 27 27 26648 1 . LEU 28 28 26648 1 . GLY 29 29 26648 1 . GLU 30 30 26648 1 . ASP 31 31 26648 1 . ALA 32 32 26648 1 . GLU 33 33 26648 1 . VAL 34 34 26648 1 . ALA 35 35 26648 1 . GLY 36 36 26648 1 . THR 37 37 26648 1 . GLN 38 38 26648 1 . TYR 39 39 26648 1 . ARG 40 40 26648 1 . LEU 41 41 26648 1 . PRO 42 42 26648 1 . SER 43 43 26648 1 . GLY 44 44 26648 1 . LYS 45 45 26648 1 . CYS 46 46 26648 1 . PRO 47 47 26648 1 . VAL 48 48 26648 1 . PHE 49 49 26648 1 . GLY 50 50 26648 1 . LYS 51 51 26648 1 . GLY 52 52 26648 1 . ILE 53 53 26648 1 . ILE 54 54 26648 1 . ILE 55 55 26648 1 . GLU 56 56 26648 1 . ASN 57 57 26648 1 . SER 58 58 26648 1 . ASN 59 59 26648 1 . THR 60 60 26648 1 . THR 61 61 26648 1 . PHE 62 62 26648 1 . LEU 63 63 26648 1 . LYS 64 64 26648 1 . PRO 65 65 26648 1 . VAL 66 66 26648 1 . ALA 67 67 26648 1 . THR 68 68 26648 1 . GLY 69 69 26648 1 . ASN 70 70 26648 1 . GLN 71 71 26648 1 . ASP 72 72 26648 1 . LEU 73 73 26648 1 . LYS 74 74 26648 1 . ASP 75 75 26648 1 . GLY 76 76 26648 1 . GLY 77 77 26648 1 . PHE 78 78 26648 1 . ALA 79 79 26648 1 . PHE 80 80 26648 1 . PRO 81 81 26648 1 . PRO 82 82 26648 1 . THR 83 83 26648 1 . ASN 84 84 26648 1 . PRO 85 85 26648 1 . LEU 86 86 26648 1 . ILE 87 87 26648 1 . SER 88 88 26648 1 . PRO 89 89 26648 1 . MET 90 90 26648 1 . THR 91 91 26648 1 . LEU 92 92 26648 1 . ASN 93 93 26648 1 . GLY 94 94 26648 1 . MET 95 95 26648 1 . ARG 96 96 26648 1 . ASP 97 97 26648 1 . PHE 98 98 26648 1 . TYR 99 99 26648 1 . LYS 100 100 26648 1 . ASN 101 101 26648 1 . ASN 102 102 26648 1 . GLU 103 103 26648 1 . TYR 104 104 26648 1 . VAL 105 105 26648 1 . LYS 106 106 26648 1 . ASN 107 107 26648 1 . LEU 108 108 26648 1 . ASP 109 109 26648 1 . GLU 110 110 26648 1 . LEU 111 111 26648 1 . THR 112 112 26648 1 . LEU 113 113 26648 1 . CYS 114 114 26648 1 . SER 115 115 26648 1 . ARG 116 116 26648 1 . HIS 117 117 26648 1 . ALA 118 118 26648 1 . GLY 119 119 26648 1 . ASN 120 120 26648 1 . MET 121 121 26648 1 . ASN 122 122 26648 1 . PRO 123 123 26648 1 . ASP 124 124 26648 1 . ASN 125 125 26648 1 . ASP 126 126 26648 1 . LYS 127 127 26648 1 . ASN 128 128 26648 1 . SER 129 129 26648 1 . ASN 130 130 26648 1 . TYR 131 131 26648 1 . LYS 132 132 26648 1 . TYR 133 133 26648 1 . PRO 134 134 26648 1 . ALA 135 135 26648 1 . VAL 136 136 26648 1 . TYR 137 137 26648 1 . ASP 138 138 26648 1 . TYR 139 139 26648 1 . ASN 140 140 26648 1 . ASP 141 141 26648 1 . LYS 142 142 26648 1 . LYS 143 143 26648 1 . CYS 144 144 26648 1 . HIS 145 145 26648 1 . ILE 146 146 26648 1 . LEU 147 147 26648 1 . TYR 148 148 26648 1 . ILE 149 149 26648 1 . ALA 150 150 26648 1 . ALA 151 151 26648 1 . PHE 152 152 26648 1 . ARG 153 153 26648 1 . ASN 154 154 26648 1 . ASN 155 155 26648 1 . GLY 156 156 26648 1 . PRO 157 157 26648 1 . ARG 158 158 26648 1 . TYR 159 159 26648 1 . CYS 160 160 26648 1 . ASN 161 161 26648 1 . LYS 162 162 26648 1 . ASP 163 163 26648 1 . GLN 164 164 26648 1 . SER 165 165 26648 1 . LYS 166 166 26648 1 . ARG 167 167 26648 1 . ASN 168 168 26648 1 . SER 169 169 26648 1 . MET 170 170 26648 1 . PHE 171 171 26648 1 . CYS 172 172 26648 1 . PHE 173 173 26648 1 . LYS 174 174 26648 1 . PRO 175 175 26648 1 . ALA 176 176 26648 1 . LYS 177 177 26648 1 . ASP 178 178 26648 1 . LYS 179 179 26648 1 . LEU 180 180 26648 1 . PHE 181 181 26648 1 . GLU 182 182 26648 1 . ASN 183 183 26648 1 . TYR 184 184 26648 1 . THR 185 185 26648 1 . TYR 186 186 26648 1 . LEU 187 187 26648 1 . SER 188 188 26648 1 . LYS 189 189 26648 1 . ASN 190 190 26648 1 . VAL 191 191 26648 1 . VAL 192 192 26648 1 . ASP 193 193 26648 1 . ASN 194 194 26648 1 . TRP 195 195 26648 1 . GLU 196 196 26648 1 . GLU 197 197 26648 1 . VAL 198 198 26648 1 . CYS 199 199 26648 1 . PRO 200 200 26648 1 . ARG 201 201 26648 1 . LYS 202 202 26648 1 . ASN 203 203 26648 1 . LEU 204 204 26648 1 . GLU 205 205 26648 1 . ASN 206 206 26648 1 . ALA 207 207 26648 1 . LYS 208 208 26648 1 . PHE 209 209 26648 1 . GLY 210 210 26648 1 . LEU 211 211 26648 1 . TRP 212 212 26648 1 . VAL 213 213 26648 1 . ASP 214 214 26648 1 . GLY 215 215 26648 1 . ASN 216 216 26648 1 . CYS 217 217 26648 1 . GLU 218 218 26648 1 . ASP 219 219 26648 1 . ILE 220 220 26648 1 . PRO 221 221 26648 1 . HIS 222 222 26648 1 . VAL 223 223 26648 1 . ASN 224 224 26648 1 . GLU 225 225 26648 1 . PHE 226 226 26648 1 . SER 227 227 26648 1 . ALA 228 228 26648 1 . ASN 229 229 26648 1 . ASN 230 230 26648 1 . ASP 231 231 26648 1 . LEU 232 232 26648 1 . GLU 233 233 26648 1 . CYS 234 234 26648 1 . ASN 235 235 26648 1 . LYS 236 236 26648 1 . LEU 237 237 26648 1 . VAL 238 238 26648 1 . PHE 239 239 26648 1 . GLU 240 240 26648 1 . LEU 241 241 26648 1 . SER 242 242 26648 1 . ALA 243 243 26648 1 . SER 244 244 26648 1 . ASP 245 245 26648 1 . GLN 246 246 26648 1 . PRO 247 247 26648 1 . LYS 248 248 26648 1 . GLN 249 249 26648 1 . TYR 250 250 26648 1 . GLU 251 251 26648 1 . GLN 252 252 26648 1 . HIS 253 253 26648 1 . LEU 254 254 26648 1 . THR 255 255 26648 1 . ASP 256 256 26648 1 . TYR 257 257 26648 1 . GLU 258 258 26648 1 . LYS 259 259 26648 1 . ILE 260 260 26648 1 . LYS 261 261 26648 1 . GLU 262 262 26648 1 . GLY 263 263 26648 1 . PHE 264 264 26648 1 . LYS 265 265 26648 1 . ASN 266 266 26648 1 . LYS 267 267 26648 1 . ASN 268 268 26648 1 . ALA 269 269 26648 1 . SER 270 270 26648 1 . MET 271 271 26648 1 . ILE 272 272 26648 1 . LYS 273 273 26648 1 . SER 274 274 26648 1 . ALA 275 275 26648 1 . PHE 276 276 26648 1 . LEU 277 277 26648 1 . PRO 278 278 26648 1 . THR 279 279 26648 1 . GLY 280 280 26648 1 . ALA 281 281 26648 1 . PHE 282 282 26648 1 . LYS 283 283 26648 1 . ALA 284 284 26648 1 . ASP 285 285 26648 1 . ARG 286 286 26648 1 . TYR 287 287 26648 1 . LYS 288 288 26648 1 . SER 289 289 26648 1 . HIS 290 290 26648 1 . GLY 291 291 26648 1 . LYS 292 292 26648 1 . GLY 293 293 26648 1 . TYR 294 294 26648 1 . ASN 295 295 26648 1 . TRP 296 296 26648 1 . GLY 297 297 26648 1 . ASN 298 298 26648 1 . TYR 299 299 26648 1 . ASN 300 300 26648 1 . ARG 301 301 26648 1 . GLU 302 302 26648 1 . THR 303 303 26648 1 . GLN 304 304 26648 1 . LYS 305 305 26648 1 . CYS 306 306 26648 1 . GLU 307 307 26648 1 . ILE 308 308 26648 1 . PHE 309 309 26648 1 . ASN 310 310 26648 1 . VAL 311 311 26648 1 . LYS 312 312 26648 1 . PRO 313 313 26648 1 . THR 314 314 26648 1 . CYS 315 315 26648 1 . LEU 316 316 26648 1 . ILE 317 317 26648 1 . ASN 318 318 26648 1 . ASN 319 319 26648 1 . SER 320 320 26648 1 . SER 321 321 26648 1 . TYR 322 322 26648 1 . ILE 323 323 26648 1 . ALA 324 324 26648 1 . THR 325 325 26648 1 . THR 326 326 26648 1 . ALA 327 327 26648 1 . LEU 328 328 26648 1 . SER 329 329 26648 1 . HIS 330 330 26648 1 . PRO 331 331 26648 1 . ILE 332 332 26648 1 . GLU 333 333 26648 1 . VAL 334 334 26648 1 . GLU 335 335 26648 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 26648 _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 $FVO_PfAMA1 . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum FVO . . . . . . . . . . . . 26648 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 26648 _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 $FVO_PfAMA1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pPROEX HTb' . . . 26648 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26648 _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 'FVO PfAMA1' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $FVO_PfAMA1 . . 250 . . uM . . . . 26648 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 26648 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 26648 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26648 1 5 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 26648 1 6 'glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 26648 1 7 'protease inhibitor cocktail' 'natural abundance' . . . . . . 0.2 . . % . . . . 26648 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26648 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26648 _Sample.ID 2 _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 'FVO PfAMA1' '[U-15N]-Lys; [U-80%] 2H' . . 1 $FVO_PfAMA1 . . 80 . . uM . . . . 26648 2 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26648 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26648 2 4 'glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 26648 2 5 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 26648 2 6 'protease inhibitor cocktail' 'natural abundance' . . . . . . 0.2 . . % . . . . 26648 2 7 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 26648 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26648 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 26648 _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' 120 . mM 26648 1 pH 6.8 . pH 26648 1 pressure 1 . atm 26648 1 temperature 308 . K 26648 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26648 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26648 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26648 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 26648 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26648 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26648 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 26648 _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 . . . . . . . . . . . . . . . . 26648 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26648 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26648 1 4 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26648 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26648 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26648 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 26648 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26648 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26648 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26648 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 26648 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26648 1 2 '3D HNCA' . . . 26648 1 3 '3D HN(CO)CA' . . . 26648 1 4 '3D HN(CA)CB' . . . 26648 1 5 '3D HN(COCA)CB' . . . 26648 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 7 7 TRP H H 1 7.96 0 . 1 . . . . . 110 TRP H . 26648 1 2 . 1 1 7 7 TRP CA C 13 57.51 0 . 1 . . . . . 110 TRP CA . 26648 1 3 . 1 1 7 7 TRP CB C 13 29.10 0 . 1 . . . . . 110 TRP CB . 26648 1 4 . 1 1 7 7 TRP N N 15 119.30 0 . 1 . . . . . 110 TRP N . 26648 1 5 . 1 1 8 8 THR H H 1 7.02 0 . 1 . . . . . 111 THR H . 26648 1 6 . 1 1 8 8 THR CA C 13 67.16 0 . 1 . . . . . 111 THR CA . 26648 1 7 . 1 1 8 8 THR CB C 13 68.71 0 . 1 . . . . . 111 THR CB . 26648 1 8 . 1 1 8 8 THR N N 15 114.70 0 . 1 . . . . . 111 THR N . 26648 1 9 . 1 1 9 9 GLU H H 1 8.38 0 . 1 . . . . . 112 GLU H . 26648 1 10 . 1 1 9 9 GLU CA C 13 59.35 0 . 1 . . . . . 112 GLU CA . 26648 1 11 . 1 1 9 9 GLU CB C 13 28.24 0 . 1 . . . . . 112 GLU CB . 26648 1 12 . 1 1 9 9 GLU N N 15 120.10 0 . 1 . . . . . 112 GLU N . 26648 1 13 . 1 1 10 10 TYR H H 1 8.22 0 . 1 . . . . . 113 TYR H . 26648 1 14 . 1 1 10 10 TYR CA C 13 60.73 0 . 1 . . . . . 113 TYR CA . 26648 1 15 . 1 1 10 10 TYR CB C 13 38.87 0 . 1 . . . . . 113 TYR CB . 26648 1 16 . 1 1 10 10 TYR N N 15 122.00 0 . 1 . . . . . 113 TYR N . 26648 1 17 . 1 1 11 11 MET H H 1 8.19 0 . 1 . . . . . 114 MET H . 26648 1 18 . 1 1 11 11 MET CA C 13 53.22 0 . 1 . . . . . 114 MET CA . 26648 1 19 . 1 1 11 11 MET CB C 13 28.30 0 . 1 . . . . . 114 MET CB . 26648 1 20 . 1 1 11 11 MET N N 15 110.70 0 . 1 . . . . . 114 MET N . 26648 1 21 . 1 1 12 12 ALA H H 1 7.50 0 . 1 . . . . . 115 ALA H . 26648 1 22 . 1 1 12 12 ALA CA C 13 55.90 0 . 1 . . . . . 115 ALA CA . 26648 1 23 . 1 1 12 12 ALA CB C 13 17.28 0 . 1 . . . . . 115 ALA CB . 26648 1 24 . 1 1 12 12 ALA N N 15 128.10 0 . 1 . . . . . 115 ALA N . 26648 1 25 . 1 1 13 13 LYS H H 1 7.21 0 . 1 . . . . . 116 LYS H . 26648 1 26 . 1 1 13 13 LYS CA C 13 56.73 0 . 1 . . . . . 116 LYS CA . 26648 1 27 . 1 1 13 13 LYS CB C 13 31.00 0 . 1 . . . . . 116 LYS CB . 26648 1 28 . 1 1 13 13 LYS N N 15 114.10 0 . 1 . . . . . 116 LYS N . 26648 1 29 . 1 1 14 14 TYR H H 1 7.25 0 . 1 . . . . . 117 TYR H . 26648 1 30 . 1 1 14 14 TYR CA C 13 56.80 0 . 1 . . . . . 117 TYR CA . 26648 1 31 . 1 1 14 14 TYR CB C 13 37.73 0 . 1 . . . . . 117 TYR CB . 26648 1 32 . 1 1 14 14 TYR N N 15 111.00 0 . 1 . . . . . 117 TYR N . 26648 1 33 . 1 1 15 15 ASP H H 1 7.83 0 . 1 . . . . . 118 ASP H . 26648 1 34 . 1 1 15 15 ASP CA C 13 51.74 0 . 1 . . . . . 118 ASP CA . 26648 1 35 . 1 1 15 15 ASP CB C 13 37.99 0 . 1 . . . . . 118 ASP CB . 26648 1 36 . 1 1 15 15 ASP N N 15 123.00 0 . 1 . . . . . 118 ASP N . 26648 1 37 . 1 1 16 16 ILE H H 1 7.74 0 . 1 . . . . . 119 ILE H . 26648 1 38 . 1 1 16 16 ILE CA C 13 64.42 0 . 1 . . . . . 119 ILE CA . 26648 1 39 . 1 1 16 16 ILE CB C 13 37.97 0 . 1 . . . . . 119 ILE CB . 26648 1 40 . 1 1 16 16 ILE N N 15 126.20 0 . 1 . . . . . 119 ILE N . 26648 1 41 . 1 1 17 17 GLU H H 1 10.01 0 . 1 . . . . . 120 GLU H . 26648 1 42 . 1 1 17 17 GLU CA C 13 60.44 0 . 1 . . . . . 120 GLU CA . 26648 1 43 . 1 1 17 17 GLU CB C 13 29.74 0 . 1 . . . . . 120 GLU CB . 26648 1 44 . 1 1 17 17 GLU N N 15 122.60 0 . 1 . . . . . 120 GLU N . 26648 1 45 . 1 1 18 18 GLU H H 1 7.04 0 . 1 . . . . . 121 GLU H . 26648 1 46 . 1 1 18 18 GLU CA C 13 57.62 0 . 1 . . . . . 121 GLU CA . 26648 1 47 . 1 1 18 18 GLU CB C 13 29.95 0 . 1 . . . . . 121 GLU CB . 26648 1 48 . 1 1 18 18 GLU N N 15 116.90 0 . 1 . . . . . 121 GLU N . 26648 1 49 . 1 1 19 19 VAL H H 1 8.60 0 . 1 . . . . . 122 VAL H . 26648 1 50 . 1 1 19 19 VAL CA C 13 64.11 0 . 1 . . . . . 122 VAL CA . 26648 1 51 . 1 1 19 19 VAL CB C 13 31.35 0 . 1 . . . . . 122 VAL CB . 26648 1 52 . 1 1 19 19 VAL N N 15 114.60 0 . 1 . . . . . 122 VAL N . 26648 1 53 . 1 1 20 20 HIS H H 1 7.95 0 . 1 . . . . . 123 HIS H . 26648 1 54 . 1 1 20 20 HIS CA C 13 57.96 0 . 1 . . . . . 123 HIS CA . 26648 1 55 . 1 1 20 20 HIS CB C 13 34.19 0 . 1 . . . . . 123 HIS CB . 26648 1 56 . 1 1 20 20 HIS N N 15 118.30 0 . 1 . . . . . 123 HIS N . 26648 1 57 . 1 1 21 21 GLY H H 1 7.92 0 . 1 . . . . . 124 GLY H . 26648 1 58 . 1 1 21 21 GLY CA C 13 46.26 0 . 1 . . . . . 124 GLY CA . 26648 1 59 . 1 1 21 21 GLY N N 15 102.60 0 . 1 . . . . . 124 GLY N . 26648 1 60 . 1 1 22 22 SER H H 1 6.56 0 . 1 . . . . . 125 SER H . 26648 1 61 . 1 1 22 22 SER CA C 13 53.97 0 . 1 . . . . . 125 SER CA . 26648 1 62 . 1 1 22 22 SER CB C 13 64.74 0 . 1 . . . . . 125 SER CB . 26648 1 63 . 1 1 22 22 SER N N 15 111.40 0 . 1 . . . . . 125 SER N . 26648 1 64 . 1 1 23 23 GLY H H 1 8.73 0 . 1 . . . . . 126 GLY H . 26648 1 65 . 1 1 23 23 GLY CA C 13 44.61 0 . 1 . . . . . 126 GLY CA . 26648 1 66 . 1 1 23 23 GLY N N 15 105.90 0 . 1 . . . . . 126 GLY N . 26648 1 67 . 1 1 24 24 ILE H H 1 8.09 0 . 1 . . . . . 127 ILE H . 26648 1 68 . 1 1 24 24 ILE CA C 13 63.43 0 . 1 . . . . . 127 ILE CA . 26648 1 69 . 1 1 24 24 ILE CB C 13 38.44 0 . 1 . . . . . 127 ILE CB . 26648 1 70 . 1 1 24 24 ILE N N 15 118.30 0 . 1 . . . . . 127 ILE N . 26648 1 71 . 1 1 25 25 ARG H H 1 6.91 0 . 1 . . . . . 128 ARG H . 26648 1 72 . 1 1 25 25 ARG CA C 13 59.05 0 . 1 . . . . . 128 ARG CA . 26648 1 73 . 1 1 25 25 ARG CB C 13 28.25 0 . 1 . . . . . 128 ARG CB . 26648 1 74 . 1 1 25 25 ARG N N 15 121.30 0 . 1 . . . . . 128 ARG N . 26648 1 75 . 1 1 26 26 VAL H H 1 6.02 0 . 1 . . . . . 129 VAL H . 26648 1 76 . 1 1 26 26 VAL CA C 13 61.65 0 . 1 . . . . . 129 VAL CA . 26648 1 77 . 1 1 26 26 VAL CB C 13 32.93 0 . 1 . . . . . 129 VAL CB . 26648 1 78 . 1 1 26 26 VAL N N 15 112.60 0 . 1 . . . . . 129 VAL N . 26648 1 79 . 1 1 27 27 ASP H H 1 8.94 0 . 1 . . . . . 130 ASP H . 26648 1 80 . 1 1 27 27 ASP CA C 13 51.62 0 . 1 . . . . . 130 ASP CA . 26648 1 81 . 1 1 27 27 ASP CB C 13 41.21 0 . 1 . . . . . 130 ASP CB . 26648 1 82 . 1 1 27 27 ASP N N 15 130.20 0 . 1 . . . . . 130 ASP N . 26648 1 83 . 1 1 30 30 GLU H H 1 8.19 0 . 1 . . . . . 133 GLU H . 26648 1 84 . 1 1 30 30 GLU CA C 13 56.50 0 . 1 . . . . . 133 GLU CA . 26648 1 85 . 1 1 30 30 GLU CB C 13 29.46 0 . 1 . . . . . 133 GLU CB . 26648 1 86 . 1 1 30 30 GLU N N 15 121.20 0 . 1 . . . . . 133 GLU N . 26648 1 87 . 1 1 31 31 ASP H H 1 8.29 0 . 1 . . . . . 134 ASP H . 26648 1 88 . 1 1 31 31 ASP CA C 13 54.13 0 . 1 . . . . . 134 ASP CA . 26648 1 89 . 1 1 31 31 ASP CB C 13 40.66 0 . 1 . . . . . 134 ASP CB . 26648 1 90 . 1 1 31 31 ASP N N 15 121.30 0 . 1 . . . . . 134 ASP N . 26648 1 91 . 1 1 32 32 ALA H H 1 7.99 0 . 1 . . . . . 135 ALA H . 26648 1 92 . 1 1 32 32 ALA CA C 13 52.60 0 . 1 . . . . . 135 ALA CA . 26648 1 93 . 1 1 32 32 ALA CB C 13 18.65 0 . 1 . . . . . 135 ALA CB . 26648 1 94 . 1 1 32 32 ALA N N 15 124.40 0 . 1 . . . . . 135 ALA N . 26648 1 95 . 1 1 33 33 GLU H H 1 8.21 0 . 1 . . . . . 136 GLU H . 26648 1 96 . 1 1 33 33 GLU CA C 13 56.55 0 . 1 . . . . . 136 GLU CA . 26648 1 97 . 1 1 33 33 GLU CB C 13 29.37 0 . 1 . . . . . 136 GLU CB . 26648 1 98 . 1 1 33 33 GLU N N 15 119.80 0 . 1 . . . . . 136 GLU N . 26648 1 99 . 1 1 34 34 VAL H H 1 7.86 0 . 1 . . . . . 137 VAL H . 26648 1 100 . 1 1 34 34 VAL CA C 13 62.13 0 . 1 . . . . . 137 VAL CA . 26648 1 101 . 1 1 34 34 VAL CB C 13 31.73 0 . 1 . . . . . 137 VAL CB . 26648 1 102 . 1 1 34 34 VAL N N 15 120.50 0 . 1 . . . . . 137 VAL N . 26648 1 103 . 1 1 35 35 ALA H H 1 8.18 0 . 1 . . . . . 138 ALA H . 26648 1 104 . 1 1 35 35 ALA CA C 13 52.54 0 . 1 . . . . . 138 ALA CA . 26648 1 105 . 1 1 35 35 ALA N N 15 127.40 0 . 1 . . . . . 138 ALA N . 26648 1 106 . 1 1 36 36 GLY H H 1 8.63 0 . 1 . . . . . 139 GLY H . 26648 1 107 . 1 1 36 36 GLY CA C 13 45.21 0 . 1 . . . . . 139 GLY CA . 26648 1 108 . 1 1 36 36 GLY N N 15 105.40 0 . 1 . . . . . 139 GLY N . 26648 1 109 . 1 1 37 37 THR H H 1 7.82 0 . 1 . . . . . 140 THR H . 26648 1 110 . 1 1 37 37 THR CA C 13 61.56 0 . 1 . . . . . 140 THR CA . 26648 1 111 . 1 1 37 37 THR CB C 13 70.18 0 . 1 . . . . . 140 THR CB . 26648 1 112 . 1 1 37 37 THR N N 15 119.30 0 . 1 . . . . . 140 THR N . 26648 1 113 . 1 1 38 38 GLN H H 1 8.12 0 . 1 . . . . . 141 GLN H . 26648 1 114 . 1 1 38 38 GLN CA C 13 55.19 0 . 1 . . . . . 141 GLN CA . 26648 1 115 . 1 1 38 38 GLN CB C 13 28.94 0 . 1 . . . . . 141 GLN CB . 26648 1 116 . 1 1 38 38 GLN N N 15 124.60 0 . 1 . . . . . 141 GLN N . 26648 1 117 . 1 1 39 39 TYR H H 1 8.86 0 . 1 . . . . . 142 TYR H . 26648 1 118 . 1 1 39 39 TYR CA C 13 56.68 0 . 1 . . . . . 142 TYR CA . 26648 1 119 . 1 1 39 39 TYR CB C 13 41.18 0 . 1 . . . . . 142 TYR CB . 26648 1 120 . 1 1 39 39 TYR N N 15 122.70 0 . 1 . . . . . 142 TYR N . 26648 1 121 . 1 1 45 45 LYS H H 1 8.07 0 . 1 . . . . . 148 LYS H . 26648 1 122 . 1 1 45 45 LYS CA C 13 58.57 0 . 1 . . . . . 148 LYS CA . 26648 1 123 . 1 1 45 45 LYS CB C 13 31.75 0 . 1 . . . . . 148 LYS CB . 26648 1 124 . 1 1 45 45 LYS N N 15 124.20 0 . 1 . . . . . 148 LYS N . 26648 1 125 . 1 1 46 46 CYS H H 1 9.79 0 . 1 . . . . . 149 CYS H . 26648 1 126 . 1 1 46 46 CYS CA C 13 51.42 0 . 1 . . . . . 149 CYS CA . 26648 1 127 . 1 1 46 46 CYS CB C 13 39.86 0 . 1 . . . . . 149 CYS CB . 26648 1 128 . 1 1 46 46 CYS N N 15 116.80 0 . 1 . . . . . 149 CYS N . 26648 1 129 . 1 1 49 49 PHE H H 1 8.03 0 . 1 . . . . . 152 PHE H . 26648 1 130 . 1 1 49 49 PHE CA C 13 60.82 0 . 1 . . . . . 152 PHE CA . 26648 1 131 . 1 1 49 49 PHE CB C 13 37.77 0 . 1 . . . . . 152 PHE CB . 26648 1 132 . 1 1 49 49 PHE N N 15 128.20 0 . 1 . . . . . 152 PHE N . 26648 1 133 . 1 1 50 50 GLY H H 1 9.24 0 . 1 . . . . . 153 GLY H . 26648 1 134 . 1 1 50 50 GLY CA C 13 44.69 0 . 1 . . . . . 153 GLY CA . 26648 1 135 . 1 1 50 50 GLY N N 15 113.00 0 . 1 . . . . . 153 GLY N . 26648 1 136 . 1 1 51 51 LYS H H 1 6.29 0 . 1 . . . . . 154 LYS H . 26648 1 137 . 1 1 51 51 LYS CA C 13 54.71 0 . 1 . . . . . 154 LYS CA . 26648 1 138 . 1 1 51 51 LYS CB C 13 33.12 0 . 1 . . . . . 154 LYS CB . 26648 1 139 . 1 1 51 51 LYS N N 15 117.70 0 . 1 . . . . . 154 LYS N . 26648 1 140 . 1 1 52 52 GLY H H 1 7.59 0 . 1 . . . . . 155 GLY H . 26648 1 141 . 1 1 52 52 GLY CA C 13 43.09 0 . 1 . . . . . 155 GLY CA . 26648 1 142 . 1 1 52 52 GLY N N 15 110.30 0 . 1 . . . . . 155 GLY N . 26648 1 143 . 1 1 53 53 ILE H H 1 3.42 0 . 1 . . . . . 156 ILE H . 26648 1 144 . 1 1 53 53 ILE CA C 13 57.43 0 . 1 . . . . . 156 ILE CA . 26648 1 145 . 1 1 53 53 ILE N N 15 116.50 0 . 1 . . . . . 156 ILE N . 26648 1 146 . 1 1 54 54 ILE H H 1 9.12 0 . 1 . . . . . 157 ILE H . 26648 1 147 . 1 1 54 54 ILE CA C 13 60.58 0 . 1 . . . . . 157 ILE CA . 26648 1 148 . 1 1 54 54 ILE CB C 13 38.50 0 . 1 . . . . . 157 ILE CB . 26648 1 149 . 1 1 54 54 ILE N N 15 128.60 0 . 1 . . . . . 157 ILE N . 26648 1 150 . 1 1 55 55 ILE H H 1 8.15 0 . 1 . . . . . 158 ILE H . 26648 1 151 . 1 1 55 55 ILE CA C 13 60.62 0 . 1 . . . . . 158 ILE CA . 26648 1 152 . 1 1 55 55 ILE CB C 13 37.00 0 . 1 . . . . . 158 ILE CB . 26648 1 153 . 1 1 55 55 ILE N N 15 129.10 0 . 1 . . . . . 158 ILE N . 26648 1 154 . 1 1 68 68 THR H H 1 7.47 0 . 1 . . . . . 171 THR H . 26648 1 155 . 1 1 68 68 THR CA C 13 59.49 0 . 1 . . . . . 171 THR CA . 26648 1 156 . 1 1 68 68 THR CB C 13 71.99 0 . 1 . . . . . 171 THR CB . 26648 1 157 . 1 1 68 68 THR N N 15 110.40 0 . 1 . . . . . 171 THR N . 26648 1 158 . 1 1 69 69 GLY H H 1 8.11 0 . 1 . . . . . 172 GLY H . 26648 1 159 . 1 1 69 69 GLY CA C 13 46.26 0 . 1 . . . . . 172 GLY CA . 26648 1 160 . 1 1 69 69 GLY N N 15 109.00 0 . 1 . . . . . 172 GLY N . 26648 1 161 . 1 1 71 71 GLN H H 1 7.63 0 . 1 . . . . . 174 GLN H . 26648 1 162 . 1 1 71 71 GLN CA C 13 55.31 0 . 1 . . . . . 174 GLN CA . 26648 1 163 . 1 1 71 71 GLN CB C 13 30.23 0 . 1 . . . . . 174 GLN CB . 26648 1 164 . 1 1 71 71 GLN N N 15 120.80 0 . 1 . . . . . 174 GLN N . 26648 1 165 . 1 1 72 72 ASP H H 1 8.63 0 . 1 . . . . . 175 ASP H . 26648 1 166 . 1 1 72 72 ASP CA C 13 53.76 0 . 1 . . . . . 175 ASP CA . 26648 1 167 . 1 1 72 72 ASP CB C 13 42.16 0 . 1 . . . . . 175 ASP CB . 26648 1 168 . 1 1 72 72 ASP N N 15 124.50 0 . 1 . . . . . 175 ASP N . 26648 1 169 . 1 1 73 73 LEU H H 1 7.75 0 . 1 . . . . . 176 LEU H . 26648 1 170 . 1 1 73 73 LEU CA C 13 58.17 0 . 1 . . . . . 176 LEU CA . 26648 1 171 . 1 1 73 73 LEU N N 15 126.40 0 . 1 . . . . . 176 LEU N . 26648 1 172 . 1 1 74 74 LYS H H 1 7.98 0 . 1 . . . . . 177 LYS H . 26648 1 173 . 1 1 74 74 LYS CA C 13 57.46 0 . 1 . . . . . 177 LYS CA . 26648 1 174 . 1 1 74 74 LYS CB C 13 30.57 0 . 1 . . . . . 177 LYS CB . 26648 1 175 . 1 1 74 74 LYS N N 15 112.70 0 . 1 . . . . . 177 LYS N . 26648 1 176 . 1 1 75 75 ASP H H 1 7.94 0 . 1 . . . . . 178 ASP H . 26648 1 177 . 1 1 75 75 ASP CA C 13 54.53 0 . 1 . . . . . 178 ASP CA . 26648 1 178 . 1 1 75 75 ASP CB C 13 41.07 0 . 1 . . . . . 178 ASP CB . 26648 1 179 . 1 1 75 75 ASP N N 15 119.90 0 . 1 . . . . . 178 ASP N . 26648 1 180 . 1 1 76 76 GLY H H 1 7.55 0 . 1 . . . . . 179 GLY H . 26648 1 181 . 1 1 76 76 GLY CA C 13 43.69 0 . 1 . . . . . 179 GLY CA . 26648 1 182 . 1 1 76 76 GLY N N 15 109.20 0 . 1 . . . . . 179 GLY N . 26648 1 183 . 1 1 77 77 GLY H H 1 6.80 0 . 1 . . . . . 180 GLY H . 26648 1 184 . 1 1 77 77 GLY CA C 13 44.62 0 . 1 . . . . . 180 GLY CA . 26648 1 185 . 1 1 77 77 GLY N N 15 106.70 0 . 1 . . . . . 180 GLY N . 26648 1 186 . 1 1 78 78 PHE H H 1 8.08 0 . 1 . . . . . 181 PHE H . 26648 1 187 . 1 1 78 78 PHE N N 15 124.90 0 . 1 . . . . . 181 PHE N . 26648 1 188 . 1 1 79 79 ALA H H 1 8.18 0 . 1 . . . . . 182 ALA H . 26648 1 189 . 1 1 79 79 ALA CA C 13 52.73 0 . 1 . . . . . 182 ALA CA . 26648 1 190 . 1 1 79 79 ALA CB C 13 20.60 0 . 1 . . . . . 182 ALA CB . 26648 1 191 . 1 1 79 79 ALA N N 15 124.10 0 . 1 . . . . . 182 ALA N . 26648 1 192 . 1 1 80 80 PHE H H 1 8.54 0 . 1 . . . . . 183 PHE H . 26648 1 193 . 1 1 80 80 PHE CA C 13 56.94 0 . 1 . . . . . 183 PHE CA . 26648 1 194 . 1 1 80 80 PHE CB C 13 38.63 0 . 1 . . . . . 183 PHE CB . 26648 1 195 . 1 1 80 80 PHE N N 15 122.50 0 . 1 . . . . . 183 PHE N . 26648 1 196 . 1 1 83 83 THR H H 1 6.99 0 . 1 . . . . . 186 THR H . 26648 1 197 . 1 1 83 83 THR CA C 13 59.18 0 . 1 . . . . . 186 THR CA . 26648 1 198 . 1 1 83 83 THR CB C 13 72.70 0 . 1 . . . . . 186 THR CB . 26648 1 199 . 1 1 83 83 THR N N 15 114.90 0 . 1 . . . . . 186 THR N . 26648 1 200 . 1 1 84 84 ASN H H 1 8.31 0 . 1 . . . . . 187 ASN H . 26648 1 201 . 1 1 84 84 ASN CA C 13 50.15 0 . 1 . . . . . 187 ASN CA . 26648 1 202 . 1 1 84 84 ASN N N 15 118.00 0 . 1 . . . . . 187 ASN N . 26648 1 203 . 1 1 86 86 LEU H H 1 8.34 0 . 1 . . . . . 189 LEU H . 26648 1 204 . 1 1 86 86 LEU CA C 13 55.75 0 . 1 . . . . . 189 LEU CA . 26648 1 205 . 1 1 86 86 LEU CB C 13 41.09 0 . 1 . . . . . 189 LEU CB . 26648 1 206 . 1 1 86 86 LEU N N 15 124.20 0 . 1 . . . . . 189 LEU N . 26648 1 207 . 1 1 87 87 ILE H H 1 8.20 0 . 1 . . . . . 190 ILE H . 26648 1 208 . 1 1 87 87 ILE CA C 13 59.28 0 . 1 . . . . . 190 ILE CA . 26648 1 209 . 1 1 87 87 ILE N N 15 121.20 0 . 1 . . . . . 190 ILE N . 26648 1 210 . 1 1 88 88 SER H H 1 6.68 0 . 1 . . . . . 191 SER H . 26648 1 211 . 1 1 88 88 SER CA C 13 55.69 0 . 1 . . . . . 191 SER CA . 26648 1 212 . 1 1 88 88 SER CB C 13 63.03 0 . 1 . . . . . 191 SER CB . 26648 1 213 . 1 1 88 88 SER N N 15 112.30 0 . 1 . . . . . 191 SER N . 26648 1 214 . 1 1 90 90 MET H H 1 8.37 0 . 1 . . . . . 193 MET H . 26648 1 215 . 1 1 90 90 MET CA C 13 54.89 0 . 1 . . . . . 193 MET CA . 26648 1 216 . 1 1 90 90 MET CB C 13 36.47 0 . 1 . . . . . 193 MET CB . 26648 1 217 . 1 1 90 90 MET N N 15 120.00 0 . 1 . . . . . 193 MET N . 26648 1 218 . 1 1 91 91 THR H H 1 8.57 0 . 1 . . . . . 194 THR H . 26648 1 219 . 1 1 91 91 THR CA C 13 60.61 0 . 1 . . . . . 194 THR CA . 26648 1 220 . 1 1 91 91 THR CB C 13 70.92 0 . 1 . . . . . 194 THR CB . 26648 1 221 . 1 1 91 91 THR N N 15 116.50 0 . 1 . . . . . 194 THR N . 26648 1 222 . 1 1 92 92 LEU H H 1 8.41 0 . 1 . . . . . 195 LEU H . 26648 1 223 . 1 1 92 92 LEU CA C 13 58.54 0 . 1 . . . . . 195 LEU CA . 26648 1 224 . 1 1 92 92 LEU CB C 13 40.50 0 . 1 . . . . . 195 LEU CB . 26648 1 225 . 1 1 92 92 LEU N N 15 123.30 0 . 1 . . . . . 195 LEU N . 26648 1 226 . 1 1 93 93 ASN H H 1 8.70 0 . 1 . . . . . 196 ASN H . 26648 1 227 . 1 1 93 93 ASN CA C 13 55.86 0 . 1 . . . . . 196 ASN CA . 26648 1 228 . 1 1 93 93 ASN CB C 13 36.95 0 . 1 . . . . . 196 ASN CB . 26648 1 229 . 1 1 93 93 ASN N N 15 116.00 0 . 1 . . . . . 196 ASN N . 26648 1 230 . 1 1 94 94 GLY H H 1 8.25 0 . 1 . . . . . 197 GLY H . 26648 1 231 . 1 1 94 94 GLY CA C 13 46.54 0 . 1 . . . . . 197 GLY CA . 26648 1 232 . 1 1 94 94 GLY N N 15 111.00 0 . 1 . . . . . 197 GLY N . 26648 1 233 . 1 1 95 95 MET H H 1 8.83 0 . 1 . . . . . 198 MET H . 26648 1 234 . 1 1 95 95 MET CA C 13 59.84 0 . 1 . . . . . 198 MET CA . 26648 1 235 . 1 1 95 95 MET CB C 13 33.97 0 . 1 . . . . . 198 MET CB . 26648 1 236 . 1 1 95 95 MET N N 15 124.10 0 . 1 . . . . . 198 MET N . 26648 1 237 . 1 1 96 96 ARG H H 1 8.21 0 . 1 . . . . . 199 ARG H . 26648 1 238 . 1 1 96 96 ARG CA C 13 60.70 0 . 1 . . . . . 199 ARG CA . 26648 1 239 . 1 1 96 96 ARG CB C 13 28.23 0 . 1 . . . . . 199 ARG CB . 26648 1 240 . 1 1 96 96 ARG N N 15 118.10 0 . 1 . . . . . 199 ARG N . 26648 1 241 . 1 1 97 97 ASP H H 1 7.69 0 . 1 . . . . . 200 ASP H . 26648 1 242 . 1 1 97 97 ASP CA C 13 56.78 0 . 1 . . . . . 200 ASP CA . 26648 1 243 . 1 1 97 97 ASP CB C 13 41.84 0 . 1 . . . . . 200 ASP CB . 26648 1 244 . 1 1 97 97 ASP N N 15 118.10 0 . 1 . . . . . 200 ASP N . 26648 1 245 . 1 1 98 98 PHE H H 1 8.37 0 . 1 . . . . . 201 PHE H . 26648 1 246 . 1 1 98 98 PHE CA C 13 60.72 0 . 1 . . . . . 201 PHE CA . 26648 1 247 . 1 1 98 98 PHE CB C 13 39.11 0 . 1 . . . . . 201 PHE CB . 26648 1 248 . 1 1 98 98 PHE N N 15 123.80 0 . 1 . . . . . 201 PHE N . 26648 1 249 . 1 1 99 99 TYR H H 1 7.63 0 . 1 . . . . . 202 TYR H . 26648 1 250 . 1 1 99 99 TYR CA C 13 58.10 0 . 1 . . . . . 202 TYR CA . 26648 1 251 . 1 1 99 99 TYR CB C 13 37.04 0 . 1 . . . . . 202 TYR CB . 26648 1 252 . 1 1 99 99 TYR N N 15 115.00 0 . 1 . . . . . 202 TYR N . 26648 1 253 . 1 1 100 100 LYS H H 1 7.03 0 . 1 . . . . . 203 LYS H . 26648 1 254 . 1 1 100 100 LYS CA C 13 58.95 0 . 1 . . . . . 203 LYS CA . 26648 1 255 . 1 1 100 100 LYS CB C 13 31.03 0 . 1 . . . . . 203 LYS CB . 26648 1 256 . 1 1 100 100 LYS N N 15 118.70 0 . 1 . . . . . 203 LYS N . 26648 1 257 . 1 1 101 101 ASN H H 1 8.33 0 . 1 . . . . . 204 ASN H . 26648 1 258 . 1 1 101 101 ASN CA C 13 52.75 0 . 1 . . . . . 204 ASN CA . 26648 1 259 . 1 1 101 101 ASN N N 15 116.20 0 . 1 . . . . . 204 ASN N . 26648 1 260 . 1 1 102 102 ASN H H 1 8.10 0 . 1 . . . . . 205 ASN H . 26648 1 261 . 1 1 102 102 ASN CA C 13 51.95 0 . 1 . . . . . 205 ASN CA . 26648 1 262 . 1 1 102 102 ASN CB C 13 38.51 0 . 1 . . . . . 205 ASN CB . 26648 1 263 . 1 1 102 102 ASN N N 15 121.20 0 . 1 . . . . . 205 ASN N . 26648 1 264 . 1 1 103 103 GLU H H 1 8.75 0 . 1 . . . . . 206 GLU H . 26648 1 265 . 1 1 103 103 GLU CA C 13 58.97 0 . 1 . . . . . 206 GLU CA . 26648 1 266 . 1 1 103 103 GLU CB C 13 28.83 0 . 1 . . . . . 206 GLU CB . 26648 1 267 . 1 1 103 103 GLU N N 15 124.30 0 . 1 . . . . . 206 GLU N . 26648 1 268 . 1 1 104 104 TYR H H 1 7.89 0 . 1 . . . . . 207 TYR H . 26648 1 269 . 1 1 104 104 TYR CA C 13 59.29 0 . 1 . . . . . 207 TYR CA . 26648 1 270 . 1 1 104 104 TYR CB C 13 37.64 0 . 1 . . . . . 207 TYR CB . 26648 1 271 . 1 1 104 104 TYR N N 15 117.50 0 . 1 . . . . . 207 TYR N . 26648 1 272 . 1 1 105 105 VAL H H 1 7.26 0 . 1 . . . . . 208 VAL H . 26648 1 273 . 1 1 105 105 VAL CA C 13 63.47 0 . 1 . . . . . 208 VAL CA . 26648 1 274 . 1 1 105 105 VAL CB C 13 31.89 0 . 1 . . . . . 208 VAL CB . 26648 1 275 . 1 1 105 105 VAL N N 15 116.50 0 . 1 . . . . . 208 VAL N . 26648 1 276 . 1 1 106 106 LYS H H 1 7.84 0 . 1 . . . . . 209 LYS H . 26648 1 277 . 1 1 106 106 LYS CA C 13 58.85 0 . 1 . . . . . 209 LYS CA . 26648 1 278 . 1 1 106 106 LYS CB C 13 30.49 0 . 1 . . . . . 209 LYS CB . 26648 1 279 . 1 1 106 106 LYS N N 15 116.50 0 . 1 . . . . . 209 LYS N . 26648 1 280 . 1 1 107 107 ASN H H 1 7.31 0 . 1 . . . . . 210 ASN H . 26648 1 281 . 1 1 107 107 ASN CA C 13 52.67 0 . 1 . . . . . 210 ASN CA . 26648 1 282 . 1 1 107 107 ASN CB C 13 39.38 0 . 1 . . . . . 210 ASN CB . 26648 1 283 . 1 1 107 107 ASN N N 15 115.70 0 . 1 . . . . . 210 ASN N . 26648 1 284 . 1 1 108 108 LEU H H 1 7.20 0 . 1 . . . . . 211 LEU H . 26648 1 285 . 1 1 108 108 LEU CA C 13 54.81 0 . 1 . . . . . 211 LEU CA . 26648 1 286 . 1 1 108 108 LEU CB C 13 42.98 0 . 1 . . . . . 211 LEU CB . 26648 1 287 . 1 1 108 108 LEU N N 15 121.30 0 . 1 . . . . . 211 LEU N . 26648 1 288 . 1 1 109 109 ASP H H 1 7.69 0 . 1 . . . . . 212 ASP H . 26648 1 289 . 1 1 109 109 ASP CA C 13 53.55 0 . 1 . . . . . 212 ASP CA . 26648 1 290 . 1 1 109 109 ASP CB C 13 41.84 0 . 1 . . . . . 212 ASP CB . 26648 1 291 . 1 1 109 109 ASP N N 15 118.10 0 . 1 . . . . . 212 ASP N . 26648 1 292 . 1 1 110 110 GLU H H 1 9.03 0 . 1 . . . . . 213 GLU H . 26648 1 293 . 1 1 110 110 GLU CA C 13 59.08 0 . 1 . . . . . 213 GLU CA . 26648 1 294 . 1 1 110 110 GLU CB C 13 28.22 0 . 1 . . . . . 213 GLU CB . 26648 1 295 . 1 1 110 110 GLU N N 15 117.50 0 . 1 . . . . . 213 GLU N . 26648 1 296 . 1 1 111 111 LEU H H 1 7.78 0 . 1 . . . . . 214 LEU H . 26648 1 297 . 1 1 111 111 LEU CA C 13 56.81 0 . 1 . . . . . 214 LEU CA . 26648 1 298 . 1 1 111 111 LEU CB C 13 38.74 0 . 1 . . . . . 214 LEU CB . 26648 1 299 . 1 1 111 111 LEU N N 15 117.50 0 . 1 . . . . . 214 LEU N . 26648 1 300 . 1 1 112 112 THR H H 1 8.60 0 . 1 . . . . . 215 THR H . 26648 1 301 . 1 1 112 112 THR CA C 13 66.66 0 . 1 . . . . . 215 THR CA . 26648 1 302 . 1 1 112 112 THR CB C 13 66.25 0 . 1 . . . . . 215 THR CB . 26648 1 303 . 1 1 112 112 THR N N 15 120.10 0 . 1 . . . . . 215 THR N . 26648 1 304 . 1 1 113 113 LEU H H 1 8.64 0 . 1 . . . . . 216 LEU H . 26648 1 305 . 1 1 113 113 LEU CA C 13 58.19 0 . 1 . . . . . 216 LEU CA . 26648 1 306 . 1 1 113 113 LEU CB C 13 40.58 0 . 1 . . . . . 216 LEU CB . 26648 1 307 . 1 1 113 113 LEU N N 15 121.30 0 . 1 . . . . . 216 LEU N . 26648 1 308 . 1 1 114 114 CYS H H 1 7.31 0 . 1 . . . . . 217 CYS H . 26648 1 309 . 1 1 114 114 CYS CA C 13 56.35 0 . 1 . . . . . 217 CYS CA . 26648 1 310 . 1 1 114 114 CYS CB C 13 33.77 0 . 1 . . . . . 217 CYS CB . 26648 1 311 . 1 1 114 114 CYS N N 15 115.50 0 . 1 . . . . . 217 CYS N . 26648 1 312 . 1 1 115 115 SER H H 1 7.78 0 . 1 . . . . . 218 SER H . 26648 1 313 . 1 1 115 115 SER CA C 13 60.62 0 . 1 . . . . . 218 SER CA . 26648 1 314 . 1 1 115 115 SER CB C 13 63.13 0 . 1 . . . . . 218 SER CB . 26648 1 315 . 1 1 115 115 SER N N 15 111.80 0 . 1 . . . . . 218 SER N . 26648 1 316 . 1 1 116 116 ARG H H 1 8.92 0 . 1 . . . . . 219 ARG H . 26648 1 317 . 1 1 116 116 ARG CA C 13 56.59 0 . 1 . . . . . 219 ARG CA . 26648 1 318 . 1 1 116 116 ARG CB C 13 27.43 0 . 1 . . . . . 219 ARG CB . 26648 1 319 . 1 1 116 116 ARG N N 15 119.60 0 . 1 . . . . . 219 ARG N . 26648 1 320 . 1 1 117 117 HIS H H 1 9.02 0 . 1 . . . . . 220 HIS H . 26648 1 321 . 1 1 117 117 HIS CA C 13 59.19 0 . 1 . . . . . 220 HIS CA . 26648 1 322 . 1 1 117 117 HIS CB C 13 30.61 0 . 1 . . . . . 220 HIS CB . 26648 1 323 . 1 1 117 117 HIS N N 15 123.10 0 . 1 . . . . . 220 HIS N . 26648 1 324 . 1 1 118 118 ALA H H 1 8.01 0 . 1 . . . . . 221 ALA H . 26648 1 325 . 1 1 118 118 ALA CA C 13 54.21 0 . 1 . . . . . 221 ALA CA . 26648 1 326 . 1 1 118 118 ALA CB C 13 19.37 0 . 1 . . . . . 221 ALA CB . 26648 1 327 . 1 1 118 118 ALA N N 15 120.60 0 . 1 . . . . . 221 ALA N . 26648 1 328 . 1 1 119 119 GLY H H 1 7.64 0 . 1 . . . . . 222 GLY H . 26648 1 329 . 1 1 119 119 GLY CA C 13 45.75 0 . 1 . . . . . 222 GLY CA . 26648 1 330 . 1 1 119 119 GLY N N 15 103.70 0 . 1 . . . . . 222 GLY N . 26648 1 331 . 1 1 120 120 ASN H H 1 7.73 0 . 1 . . . . . 223 ASN H . 26648 1 332 . 1 1 120 120 ASN CA C 13 52.75 0 . 1 . . . . . 223 ASN CA . 26648 1 333 . 1 1 120 120 ASN CB C 13 39.98 0 . 1 . . . . . 223 ASN CB . 26648 1 334 . 1 1 120 120 ASN N N 15 118.80 0 . 1 . . . . . 223 ASN N . 26648 1 335 . 1 1 121 121 MET H H 1 7.40 0 . 1 . . . . . 224 MET H . 26648 1 336 . 1 1 121 121 MET CA C 13 53.93 0 . 1 . . . . . 224 MET CA . 26648 1 337 . 1 1 121 121 MET CB C 13 34.08 0 . 1 . . . . . 224 MET CB . 26648 1 338 . 1 1 121 121 MET N N 15 118.60 0 . 1 . . . . . 224 MET N . 26648 1 339 . 1 1 122 122 ASN H H 1 7.94 0 . 1 . . . . . 225 ASN H . 26648 1 340 . 1 1 122 122 ASN CA C 13 53.49 0 . 1 . . . . . 225 ASN CA . 26648 1 341 . 1 1 122 122 ASN N N 15 120.80 0 . 1 . . . . . 225 ASN N . 26648 1 342 . 1 1 135 135 ALA H H 1 8.47 0 . 1 . . . . . 238 ALA H . 26648 1 343 . 1 1 135 135 ALA CA C 13 50.50 0 . 1 . . . . . 238 ALA CA . 26648 1 344 . 1 1 135 135 ALA CB C 13 24.57 0 . 1 . . . . . 238 ALA CB . 26648 1 345 . 1 1 135 135 ALA N N 15 118.10 0 . 1 . . . . . 238 ALA N . 26648 1 346 . 1 1 136 136 VAL H H 1 8.96 0 . 1 . . . . . 239 VAL H . 26648 1 347 . 1 1 136 136 VAL CA C 13 59.37 0 . 1 . . . . . 239 VAL CA . 26648 1 348 . 1 1 136 136 VAL N N 15 118.10 0 . 1 . . . . . 239 VAL N . 26648 1 349 . 1 1 137 137 TYR H H 1 8.24 0 . 1 . . . . . 240 TYR H . 26648 1 350 . 1 1 137 137 TYR CA C 13 56.36 0 . 1 . . . . . 240 TYR CA . 26648 1 351 . 1 1 137 137 TYR CB C 13 40.72 0 . 1 . . . . . 240 TYR CB . 26648 1 352 . 1 1 137 137 TYR N N 15 126.90 0 . 1 . . . . . 240 TYR N . 26648 1 353 . 1 1 138 138 ASP H H 1 8.17 0 . 1 . . . . . 241 ASP H . 26648 1 354 . 1 1 138 138 ASP CA C 13 51.21 0 . 1 . . . . . 241 ASP CA . 26648 1 355 . 1 1 138 138 ASP CB C 13 41.61 0 . 1 . . . . . 241 ASP CB . 26648 1 356 . 1 1 138 138 ASP N N 15 127.40 0 . 1 . . . . . 241 ASP N . 26648 1 357 . 1 1 139 139 TYR H H 1 9.22 0 . 1 . . . . . 242 TYR H . 26648 1 358 . 1 1 139 139 TYR CA C 13 61.79 0 . 1 . . . . . 242 TYR CA . 26648 1 359 . 1 1 139 139 TYR CB C 13 38.88 0 . 1 . . . . . 242 TYR CB . 26648 1 360 . 1 1 139 139 TYR N N 15 123.20 0 . 1 . . . . . 242 TYR N . 26648 1 361 . 1 1 140 140 ASN H H 1 8.88 0 . 1 . . . . . 243 ASN H . 26648 1 362 . 1 1 140 140 ASN CA C 13 56.47 0 . 1 . . . . . 243 ASN CA . 26648 1 363 . 1 1 140 140 ASN CB C 13 38.73 0 . 1 . . . . . 243 ASN CB . 26648 1 364 . 1 1 140 140 ASN N N 15 118.80 0 . 1 . . . . . 243 ASN N . 26648 1 365 . 1 1 141 141 ASP H H 1 6.94 0 . 1 . . . . . 244 ASP H . 26648 1 366 . 1 1 141 141 ASP CA C 13 52.82 0 . 1 . . . . . 244 ASP CA . 26648 1 367 . 1 1 141 141 ASP CB C 13 40.56 0 . 1 . . . . . 244 ASP CB . 26648 1 368 . 1 1 141 141 ASP N N 15 115.90 0 . 1 . . . . . 244 ASP N . 26648 1 369 . 1 1 142 142 LYS H H 1 7.64 0 . 1 . . . . . 245 LYS H . 26648 1 370 . 1 1 142 142 LYS CA C 13 56.80 0 . 1 . . . . . 245 LYS CA . 26648 1 371 . 1 1 142 142 LYS CB C 13 28.19 0 . 1 . . . . . 245 LYS CB . 26648 1 372 . 1 1 142 142 LYS N N 15 117.70 0 . 1 . . . . . 245 LYS N . 26648 1 373 . 1 1 143 143 LYS H H 1 6.72 0 . 1 . . . . . 246 LYS H . 26648 1 374 . 1 1 143 143 LYS CA C 13 54.72 0 . 1 . . . . . 246 LYS CA . 26648 1 375 . 1 1 143 143 LYS CB C 13 36.95 0 . 1 . . . . . 246 LYS CB . 26648 1 376 . 1 1 143 143 LYS N N 15 114.30 0 . 1 . . . . . 246 LYS N . 26648 1 377 . 1 1 144 144 CYS H H 1 8.77 0 . 1 . . . . . 247 CYS H . 26648 1 378 . 1 1 144 144 CYS CA C 13 53.73 0 . 1 . . . . . 247 CYS CA . 26648 1 379 . 1 1 144 144 CYS CB C 13 40.22 0 . 1 . . . . . 247 CYS CB . 26648 1 380 . 1 1 144 144 CYS N N 15 122.50 0 . 1 . . . . . 247 CYS N . 26648 1 381 . 1 1 145 145 HIS H H 1 9.43 0 . 1 . . . . . 248 HIS H . 26648 1 382 . 1 1 145 145 HIS CA C 13 54.37 0 . 1 . . . . . 248 HIS CA . 26648 1 383 . 1 1 145 145 HIS CB C 13 32.35 0 . 1 . . . . . 248 HIS CB . 26648 1 384 . 1 1 145 145 HIS N N 15 130.20 0 . 1 . . . . . 248 HIS N . 26648 1 385 . 1 1 146 146 ILE H H 1 8.58 0 . 1 . . . . . 249 ILE H . 26648 1 386 . 1 1 146 146 ILE CA C 13 61.80 0 . 1 . . . . . 249 ILE CA . 26648 1 387 . 1 1 146 146 ILE CB C 13 36.46 0 . 1 . . . . . 249 ILE CB . 26648 1 388 . 1 1 146 146 ILE N N 15 124.80 0 . 1 . . . . . 249 ILE N . 26648 1 389 . 1 1 147 147 LEU H H 1 8.62 0 . 1 . . . . . 250 LEU H . 26648 1 390 . 1 1 147 147 LEU CA C 13 53.93 0 . 1 . . . . . 250 LEU CA . 26648 1 391 . 1 1 147 147 LEU CB C 13 40.52 0 . 1 . . . . . 250 LEU CB . 26648 1 392 . 1 1 147 147 LEU N N 15 127.90 0 . 1 . . . . . 250 LEU N . 26648 1 393 . 1 1 148 148 TYR H H 1 7.86 0 . 1 . . . . . 251 TYR H . 26648 1 394 . 1 1 148 148 TYR CA C 13 61.12 0 . 1 . . . . . 251 TYR CA . 26648 1 395 . 1 1 148 148 TYR N N 15 120.70 0 . 1 . . . . . 251 TYR N . 26648 1 396 . 1 1 149 149 ILE H H 1 7.85 0 . 1 . . . . . 252 ILE H . 26648 1 397 . 1 1 149 149 ILE CA C 13 59.92 0 . 1 . . . . . 252 ILE CA . 26648 1 398 . 1 1 149 149 ILE N N 15 116.50 0 . 1 . . . . . 252 ILE N . 26648 1 399 . 1 1 152 152 PHE H H 1 8.59 0 . 1 . . . . . 255 PHE H . 26648 1 400 . 1 1 152 152 PHE CA C 13 55.15 0 . 1 . . . . . 255 PHE CA . 26648 1 401 . 1 1 152 152 PHE CB C 13 30.65 0 . 1 . . . . . 255 PHE CB . 26648 1 402 . 1 1 152 152 PHE N N 15 122.90 0 . 1 . . . . . 255 PHE N . 26648 1 403 . 1 1 153 153 ARG H H 1 8.77 0 . 1 . . . . . 256 ARG H . 26648 1 404 . 1 1 153 153 ARG CA C 13 61.53 0 . 1 . . . . . 256 ARG CA . 26648 1 405 . 1 1 153 153 ARG CB C 13 33.50 0 . 1 . . . . . 256 ARG CB . 26648 1 406 . 1 1 153 153 ARG N N 15 125.30 0 . 1 . . . . . 256 ARG N . 26648 1 407 . 1 1 173 173 PHE H H 1 8.28 0 . 1 . . . . . 276 PHE H . 26648 1 408 . 1 1 173 173 PHE CA C 13 55.11 0 . 1 . . . . . 276 PHE CA . 26648 1 409 . 1 1 173 173 PHE CB C 13 39.83 0 . 1 . . . . . 276 PHE CB . 26648 1 410 . 1 1 173 173 PHE N N 15 118.80 0 . 1 . . . . . 276 PHE N . 26648 1 411 . 1 1 174 174 LYS H H 1 8.95 0 . 1 . . . . . 277 LYS H . 26648 1 412 . 1 1 174 174 LYS CA C 13 52.67 0 . 1 . . . . . 277 LYS CA . 26648 1 413 . 1 1 174 174 LYS CB C 13 29.42 0 . 1 . . . . . 277 LYS CB . 26648 1 414 . 1 1 174 174 LYS N N 15 117.60 0 . 1 . . . . . 277 LYS N . 26648 1 415 . 1 1 176 176 ALA H H 1 8.62 0 . 1 . . . . . 279 ALA H . 26648 1 416 . 1 1 176 176 ALA CA C 13 52.22 0 . 1 . . . . . 279 ALA CA . 26648 1 417 . 1 1 176 176 ALA CB C 13 22.98 0 . 1 . . . . . 279 ALA CB . 26648 1 418 . 1 1 176 176 ALA N N 15 121.80 0 . 1 . . . . . 279 ALA N . 26648 1 419 . 1 1 177 177 LYS H H 1 7.95 0 . 1 . . . . . 280 LYS H . 26648 1 420 . 1 1 177 177 LYS CA C 13 55.70 0 . 1 . . . . . 280 LYS CA . 26648 1 421 . 1 1 177 177 LYS CB C 13 31.82 0 . 1 . . . . . 280 LYS CB . 26648 1 422 . 1 1 177 177 LYS N N 15 116.60 0 . 1 . . . . . 280 LYS N . 26648 1 423 . 1 1 178 178 ASP H H 1 7.21 0 . 1 . . . . . 281 ASP H . 26648 1 424 . 1 1 178 178 ASP CA C 13 53.20 0 . 1 . . . . . 281 ASP CA . 26648 1 425 . 1 1 178 178 ASP CB C 13 46.41 0 . 1 . . . . . 281 ASP CB . 26648 1 426 . 1 1 178 178 ASP N N 15 118.80 0 . 1 . . . . . 281 ASP N . 26648 1 427 . 1 1 180 180 LEU H H 1 8.93 0 . 1 . . . . . 283 LEU H . 26648 1 428 . 1 1 180 180 LEU CA C 13 56.49 0 . 1 . . . . . 283 LEU CA . 26648 1 429 . 1 1 180 180 LEU CB C 13 40.59 0 . 1 . . . . . 283 LEU CB . 26648 1 430 . 1 1 180 180 LEU N N 15 118.80 0 . 1 . . . . . 283 LEU N . 26648 1 431 . 1 1 181 181 PHE H H 1 7.38 0 . 1 . . . . . 284 PHE H . 26648 1 432 . 1 1 181 181 PHE CA C 13 51.96 0 . 1 . . . . . 284 PHE CA . 26648 1 433 . 1 1 181 181 PHE CB C 13 39.33 0 . 1 . . . . . 284 PHE CB . 26648 1 434 . 1 1 181 181 PHE N N 15 115.90 0 . 1 . . . . . 284 PHE N . 26648 1 435 . 1 1 182 182 GLU H H 1 7.09 0 . 1 . . . . . 285 GLU H . 26648 1 436 . 1 1 182 182 GLU CA C 13 59.99 0 . 1 . . . . . 285 GLU CA . 26648 1 437 . 1 1 182 182 GLU CB C 13 29.27 0 . 1 . . . . . 285 GLU CB . 26648 1 438 . 1 1 182 182 GLU N N 15 120.40 0 . 1 . . . . . 285 GLU N . 26648 1 439 . 1 1 183 183 ASN H H 1 8.37 0 . 1 . . . . . 286 ASN H . 26648 1 440 . 1 1 183 183 ASN CA C 13 52.84 0 . 1 . . . . . 286 ASN CA . 26648 1 441 . 1 1 183 183 ASN CB C 13 39.15 0 . 1 . . . . . 286 ASN CB . 26648 1 442 . 1 1 183 183 ASN N N 15 113.20 0 . 1 . . . . . 286 ASN N . 26648 1 443 . 1 1 184 184 TYR H H 1 8.17 0 . 1 . . . . . 287 TYR H . 26648 1 444 . 1 1 184 184 TYR CA C 13 53.61 0 . 1 . . . . . 287 TYR CA . 26648 1 445 . 1 1 184 184 TYR CB C 13 37.70 0 . 1 . . . . . 287 TYR CB . 26648 1 446 . 1 1 184 184 TYR N N 15 120.20 0 . 1 . . . . . 287 TYR N . 26648 1 447 . 1 1 185 185 THR H H 1 8.53 0 . 1 . . . . . 288 THR H . 26648 1 448 . 1 1 185 185 THR CA C 13 60.90 0 . 1 . . . . . 288 THR CA . 26648 1 449 . 1 1 185 185 THR N N 15 116.50 0 . 1 . . . . . 288 THR N . 26648 1 450 . 1 1 186 186 TYR H H 1 8.55 0 . 1 . . . . . 289 TYR H . 26648 1 451 . 1 1 186 186 TYR CA C 13 58.92 0 . 1 . . . . . 289 TYR CA . 26648 1 452 . 1 1 186 186 TYR CB C 13 40.37 0 . 1 . . . . . 289 TYR CB . 26648 1 453 . 1 1 186 186 TYR N N 15 128.90 0 . 1 . . . . . 289 TYR N . 26648 1 454 . 1 1 187 187 LEU H H 1 9.03 0 . 1 . . . . . 290 LEU H . 26648 1 455 . 1 1 187 187 LEU CA C 13 53.02 0 . 1 . . . . . 290 LEU CA . 26648 1 456 . 1 1 187 187 LEU CB C 13 42.85 0 . 1 . . . . . 290 LEU CB . 26648 1 457 . 1 1 187 187 LEU N N 15 130.90 0 . 1 . . . . . 290 LEU N . 26648 1 458 . 1 1 190 190 ASN H H 1 8.37 0 . 1 . . . . . 293 ASN H . 26648 1 459 . 1 1 190 190 ASN CA C 13 50.89 0 . 1 . . . . . 293 ASN CA . 26648 1 460 . 1 1 190 190 ASN CB C 13 38.92 0 . 1 . . . . . 293 ASN CB . 26648 1 461 . 1 1 190 190 ASN N N 15 119.60 0 . 1 . . . . . 293 ASN N . 26648 1 462 . 1 1 191 191 VAL H H 1 6.50 0 . 1 . . . . . 294 VAL H . 26648 1 463 . 1 1 191 191 VAL CA C 13 64.06 0 . 1 . . . . . 294 VAL CA . 26648 1 464 . 1 1 191 191 VAL CB C 13 30.69 0 . 1 . . . . . 294 VAL CB . 26648 1 465 . 1 1 191 191 VAL N N 15 121.40 0 . 1 . . . . . 294 VAL N . 26648 1 466 . 1 1 192 192 VAL H H 1 8.23 0 . 1 . . . . . 295 VAL H . 26648 1 467 . 1 1 192 192 VAL CA C 13 61.03 0 . 1 . . . . . 295 VAL CA . 26648 1 468 . 1 1 192 192 VAL CB C 13 32.96 0 . 1 . . . . . 295 VAL CB . 26648 1 469 . 1 1 192 192 VAL N N 15 123.60 0 . 1 . . . . . 295 VAL N . 26648 1 470 . 1 1 193 193 ASP H H 1 8.38 0 . 1 . . . . . 296 ASP H . 26648 1 471 . 1 1 193 193 ASP CA C 13 55.13 0 . 1 . . . . . 296 ASP CA . 26648 1 472 . 1 1 193 193 ASP CB C 13 39.85 0 . 1 . . . . . 296 ASP CB . 26648 1 473 . 1 1 193 193 ASP N N 15 118.20 0 . 1 . . . . . 296 ASP N . 26648 1 474 . 1 1 194 194 ASN H H 1 8.12 0 . 1 . . . . . 297 ASN H . 26648 1 475 . 1 1 194 194 ASN CA C 13 51.09 0 . 1 . . . . . 297 ASN CA . 26648 1 476 . 1 1 194 194 ASN CB C 13 35.83 0 . 1 . . . . . 297 ASN CB . 26648 1 477 . 1 1 194 194 ASN N N 15 115.80 0 . 1 . . . . . 297 ASN N . 26648 1 478 . 1 1 195 195 TRP H H 1 7.58 0 . 1 . . . . . 298 TRP H . 26648 1 479 . 1 1 195 195 TRP CA C 13 59.92 0 . 1 . . . . . 298 TRP CA . 26648 1 480 . 1 1 195 195 TRP CB C 13 27.16 0 . 1 . . . . . 298 TRP CB . 26648 1 481 . 1 1 195 195 TRP N N 15 121.50 0 . 1 . . . . . 298 TRP N . 26648 1 482 . 1 1 196 196 GLU H H 1 7.17 0 . 1 . . . . . 299 GLU H . 26648 1 483 . 1 1 196 196 GLU CA C 13 59.25 0 . 1 . . . . . 299 GLU CA . 26648 1 484 . 1 1 196 196 GLU CB C 13 27.82 0 . 1 . . . . . 299 GLU CB . 26648 1 485 . 1 1 196 196 GLU N N 15 123.00 0 . 1 . . . . . 299 GLU N . 26648 1 486 . 1 1 197 197 GLU H H 1 7.47 0 . 1 . . . . . 300 GLU H . 26648 1 487 . 1 1 197 197 GLU CA C 13 57.09 0 . 1 . . . . . 300 GLU CA . 26648 1 488 . 1 1 197 197 GLU CB C 13 30.56 0 . 1 . . . . . 300 GLU CB . 26648 1 489 . 1 1 197 197 GLU N N 15 116.50 0 . 1 . . . . . 300 GLU N . 26648 1 490 . 1 1 198 198 VAL H H 1 7.05 0 . 1 . . . . . 301 VAL H . 26648 1 491 . 1 1 198 198 VAL CA C 13 61.65 0 . 1 . . . . . 301 VAL CA . 26648 1 492 . 1 1 198 198 VAL CB C 13 32.74 0 . 1 . . . . . 301 VAL CB . 26648 1 493 . 1 1 198 198 VAL N N 15 109.60 0 . 1 . . . . . 301 VAL N . 26648 1 494 . 1 1 199 199 CYS H H 1 8.21 0 . 1 . . . . . 302 CYS H . 26648 1 495 . 1 1 199 199 CYS CA C 13 54.12 0 . 1 . . . . . 302 CYS CA . 26648 1 496 . 1 1 199 199 CYS CB C 13 42.81 0 . 1 . . . . . 302 CYS CB . 26648 1 497 . 1 1 199 199 CYS N N 15 117.00 0 . 1 . . . . . 302 CYS N . 26648 1 498 . 1 1 201 201 ARG H H 1 8.07 0 . 1 . . . . . 304 ARG H . 26648 1 499 . 1 1 201 201 ARG CA C 13 58.42 0 . 1 . . . . . 304 ARG CA . 26648 1 500 . 1 1 201 201 ARG CB C 13 31.57 0 . 1 . . . . . 304 ARG CB . 26648 1 501 . 1 1 201 201 ARG N N 15 120.70 0 . 1 . . . . . 304 ARG N . 26648 1 502 . 1 1 202 202 LYS H H 1 8.19 0 . 1 . . . . . 305 LYS H . 26648 1 503 . 1 1 202 202 LYS CA C 13 55.66 0 . 1 . . . . . 305 LYS CA . 26648 1 504 . 1 1 202 202 LYS CB C 13 33.00 0 . 1 . . . . . 305 LYS CB . 26648 1 505 . 1 1 202 202 LYS N N 15 116.10 0 . 1 . . . . . 305 LYS N . 26648 1 506 . 1 1 203 203 ASN H H 1 8.61 0 . 1 . . . . . 306 ASN H . 26648 1 507 . 1 1 203 203 ASN CA C 13 53.97 0 . 1 . . . . . 306 ASN CA . 26648 1 508 . 1 1 203 203 ASN CB C 13 39.91 0 . 1 . . . . . 306 ASN CB . 26648 1 509 . 1 1 203 203 ASN N N 15 121.60 0 . 1 . . . . . 306 ASN N . 26648 1 510 . 1 1 204 204 LEU H H 1 8.17 0 . 1 . . . . . 307 LEU H . 26648 1 511 . 1 1 204 204 LEU CA C 13 53.00 0 . 1 . . . . . 307 LEU CA . 26648 1 512 . 1 1 204 204 LEU CB C 13 42.05 0 . 1 . . . . . 307 LEU CB . 26648 1 513 . 1 1 204 204 LEU N N 15 120.90 0 . 1 . . . . . 307 LEU N . 26648 1 514 . 1 1 205 205 GLU H H 1 8.84 0 . 1 . . . . . 308 GLU H . 26648 1 515 . 1 1 205 205 GLU CA C 13 56.73 0 . 1 . . . . . 308 GLU CA . 26648 1 516 . 1 1 205 205 GLU CB C 13 29.88 0 . 1 . . . . . 308 GLU CB . 26648 1 517 . 1 1 205 205 GLU N N 15 125.10 0 . 1 . . . . . 308 GLU N . 26648 1 518 . 1 1 206 206 ASN H H 1 8.19 0 . 1 . . . . . 309 ASN H . 26648 1 519 . 1 1 206 206 ASN CA C 13 54.67 0 . 1 . . . . . 309 ASN CA . 26648 1 520 . 1 1 206 206 ASN CB C 13 36.18 0 . 1 . . . . . 309 ASN CB . 26648 1 521 . 1 1 206 206 ASN N N 15 119.10 0 . 1 . . . . . 309 ASN N . 26648 1 522 . 1 1 207 207 ALA H H 1 7.57 0 . 1 . . . . . 310 ALA H . 26648 1 523 . 1 1 207 207 ALA CA C 13 50.52 0 . 1 . . . . . 310 ALA CA . 26648 1 524 . 1 1 207 207 ALA CB C 13 22.11 0 . 1 . . . . . 310 ALA CB . 26648 1 525 . 1 1 207 207 ALA N N 15 122.30 0 . 1 . . . . . 310 ALA N . 26648 1 526 . 1 1 208 208 LYS H H 1 8.14 0 . 1 . . . . . 311 LYS H . 26648 1 527 . 1 1 208 208 LYS CA C 13 52.20 0 . 1 . . . . . 311 LYS CA . 26648 1 528 . 1 1 208 208 LYS CB C 13 35.73 0 . 1 . . . . . 311 LYS CB . 26648 1 529 . 1 1 208 208 LYS N N 15 114.70 0 . 1 . . . . . 311 LYS N . 26648 1 530 . 1 1 209 209 PHE H H 1 9.72 0 . 1 . . . . . 312 PHE H . 26648 1 531 . 1 1 209 209 PHE CA C 13 57.92 0 . 1 . . . . . 312 PHE CA . 26648 1 532 . 1 1 209 209 PHE CB C 13 40.26 0 . 1 . . . . . 312 PHE CB . 26648 1 533 . 1 1 209 209 PHE N N 15 124.30 0 . 1 . . . . . 312 PHE N . 26648 1 534 . 1 1 210 210 GLY H H 1 8.00 0 . 1 . . . . . 313 GLY H . 26648 1 535 . 1 1 210 210 GLY CA C 13 43.90 0 . 1 . . . . . 313 GLY CA . 26648 1 536 . 1 1 210 210 GLY N N 15 108.60 0 . 1 . . . . . 313 GLY N . 26648 1 537 . 1 1 211 211 LEU H H 1 8.78 0 . 1 . . . . . 314 LEU H . 26648 1 538 . 1 1 211 211 LEU CA C 13 52.38 0 . 1 . . . . . 314 LEU CA . 26648 1 539 . 1 1 211 211 LEU CB C 13 44.67 0 . 1 . . . . . 314 LEU CB . 26648 1 540 . 1 1 211 211 LEU N N 15 119.30 0 . 1 . . . . . 314 LEU N . 26648 1 541 . 1 1 212 212 TRP H H 1 8.08 0 . 1 . . . . . 315 TRP H . 26648 1 542 . 1 1 212 212 TRP CA C 13 56.94 0 . 1 . . . . . 315 TRP CA . 26648 1 543 . 1 1 212 212 TRP CB C 13 29.59 0 . 1 . . . . . 315 TRP CB . 26648 1 544 . 1 1 212 212 TRP N N 15 127.70 0 . 1 . . . . . 315 TRP N . 26648 1 545 . 1 1 213 213 VAL H H 1 8.61 0 . 1 . . . . . 316 VAL H . 26648 1 546 . 1 1 213 213 VAL CA C 13 61.21 0 . 1 . . . . . 316 VAL CA . 26648 1 547 . 1 1 213 213 VAL CB C 13 34.01 0 . 1 . . . . . 316 VAL CB . 26648 1 548 . 1 1 213 213 VAL N N 15 131.50 0 . 1 . . . . . 316 VAL N . 26648 1 549 . 1 1 214 214 ASP H H 1 8.78 0 . 1 . . . . . 317 ASP H . 26648 1 550 . 1 1 214 214 ASP CA C 13 54.86 0 . 1 . . . . . 317 ASP CA . 26648 1 551 . 1 1 214 214 ASP CB C 13 39.27 0 . 1 . . . . . 317 ASP CB . 26648 1 552 . 1 1 214 214 ASP N N 15 127.40 0 . 1 . . . . . 317 ASP N . 26648 1 553 . 1 1 215 215 GLY H H 1 6.70 0 . 1 . . . . . 318 GLY H . 26648 1 554 . 1 1 215 215 GLY CA C 13 45.79 0 . 1 . . . . . 318 GLY CA . 26648 1 555 . 1 1 215 215 GLY N N 15 133.10 0 . 1 . . . . . 318 GLY N . 26648 1 556 . 1 1 216 216 ASN H H 1 6.64 0 . 1 . . . . . 319 ASN H . 26648 1 557 . 1 1 216 216 ASN CA C 13 51.07 0 . 1 . . . . . 319 ASN CA . 26648 1 558 . 1 1 216 216 ASN CB C 13 41.96 0 . 1 . . . . . 319 ASN CB . 26648 1 559 . 1 1 216 216 ASN N N 15 116.90 0 . 1 . . . . . 319 ASN N . 26648 1 560 . 1 1 217 217 CYS H H 1 8.32 0 . 1 . . . . . 320 CYS H . 26648 1 561 . 1 1 217 217 CYS CA C 13 54.20 0 . 1 . . . . . 320 CYS CA . 26648 1 562 . 1 1 217 217 CYS CB C 13 39.33 0 . 1 . . . . . 320 CYS CB . 26648 1 563 . 1 1 217 217 CYS N N 15 122.00 0 . 1 . . . . . 320 CYS N . 26648 1 564 . 1 1 218 218 GLU H H 1 8.83 0 . 1 . . . . . 321 GLU H . 26648 1 565 . 1 1 218 218 GLU CA C 13 54.14 0 . 1 . . . . . 321 GLU CA . 26648 1 566 . 1 1 218 218 GLU CB C 13 31.20 0 . 1 . . . . . 321 GLU CB . 26648 1 567 . 1 1 218 218 GLU N N 15 129.50 0 . 1 . . . . . 321 GLU N . 26648 1 568 . 1 1 219 219 ASP H H 1 8.07 0 . 1 . . . . . 322 ASP H . 26648 1 569 . 1 1 219 219 ASP CB C 13 40.59 0 . 1 . . . . . 322 ASP CB . 26648 1 570 . 1 1 219 219 ASP N N 15 118.00 0 . 1 . . . . . 322 ASP N . 26648 1 571 . 1 1 220 220 ILE H H 1 8.28 0 . 1 . . . . . 323 ILE H . 26648 1 572 . 1 1 220 220 ILE CA C 13 57.21 0 . 1 . . . . . 323 ILE CA . 26648 1 573 . 1 1 220 220 ILE CB C 13 35.37 0 . 1 . . . . . 323 ILE CB . 26648 1 574 . 1 1 220 220 ILE N N 15 122.20 0 . 1 . . . . . 323 ILE N . 26648 1 575 . 1 1 222 222 HIS H H 1 7.35 0 . 1 . . . . . 325 HIS H . 26648 1 576 . 1 1 222 222 HIS CA C 13 54.88 0 . 1 . . . . . 325 HIS CA . 26648 1 577 . 1 1 222 222 HIS CB C 13 29.45 0 . 1 . . . . . 325 HIS CB . 26648 1 578 . 1 1 222 222 HIS N N 15 115.70 0 . 1 . . . . . 325 HIS N . 26648 1 579 . 1 1 223 223 VAL H H 1 8.04 0 . 1 . . . . . 326 VAL H . 26648 1 580 . 1 1 223 223 VAL CA C 13 59.28 0 . 1 . . . . . 326 VAL CA . 26648 1 581 . 1 1 223 223 VAL CB C 13 34.04 0 . 1 . . . . . 326 VAL CB . 26648 1 582 . 1 1 223 223 VAL N N 15 117.30 0 . 1 . . . . . 326 VAL N . 26648 1 583 . 1 1 224 224 ASN H H 1 9.29 0 . 1 . . . . . 327 ASN H . 26648 1 584 . 1 1 224 224 ASN CA C 13 51.91 0 . 1 . . . . . 327 ASN CA . 26648 1 585 . 1 1 224 224 ASN CB C 13 39.61 0 . 1 . . . . . 327 ASN CB . 26648 1 586 . 1 1 224 224 ASN N N 15 122.00 0 . 1 . . . . . 327 ASN N . 26648 1 587 . 1 1 225 225 GLU H H 1 8.48 0 . 1 . . . . . 328 GLU H . 26648 1 588 . 1 1 225 225 GLU CA C 13 55.62 0 . 1 . . . . . 328 GLU CA . 26648 1 589 . 1 1 225 225 GLU CB C 13 31.80 0 . 1 . . . . . 328 GLU CB . 26648 1 590 . 1 1 225 225 GLU N N 15 124.30 0 . 1 . . . . . 328 GLU N . 26648 1 591 . 1 1 226 226 PHE H H 1 8.70 0 . 1 . . . . . 329 PHE H . 26648 1 592 . 1 1 226 226 PHE CA C 13 55.86 0 . 1 . . . . . 329 PHE CA . 26648 1 593 . 1 1 226 226 PHE CB C 13 43.49 0 . 1 . . . . . 329 PHE CB . 26648 1 594 . 1 1 226 226 PHE N N 15 123.40 0 . 1 . . . . . 329 PHE N . 26648 1 595 . 1 1 227 227 SER H H 1 9.03 0 . 1 . . . . . 330 SER H . 26648 1 596 . 1 1 227 227 SER CA C 13 59.52 0 . 1 . . . . . 330 SER CA . 26648 1 597 . 1 1 227 227 SER CB C 13 63.27 0 . 1 . . . . . 330 SER CB . 26648 1 598 . 1 1 227 227 SER N N 15 119.90 0 . 1 . . . . . 330 SER N . 26648 1 599 . 1 1 228 228 ALA H H 1 8.08 0 . 1 . . . . . 331 ALA H . 26648 1 600 . 1 1 228 228 ALA CA C 13 51.46 0 . 1 . . . . . 331 ALA CA . 26648 1 601 . 1 1 228 228 ALA CB C 13 20.85 0 . 1 . . . . . 331 ALA CB . 26648 1 602 . 1 1 228 228 ALA N N 15 124.90 0 . 1 . . . . . 331 ALA N . 26648 1 603 . 1 1 230 230 ASN H H 1 7.26 0 . 1 . . . . . 333 ASN H . 26648 1 604 . 1 1 230 230 ASN CA C 13 51.85 0 . 1 . . . . . 333 ASN CA . 26648 1 605 . 1 1 230 230 ASN CB C 13 41.56 0 . 1 . . . . . 333 ASN CB . 26648 1 606 . 1 1 230 230 ASN N N 15 114.10 0 . 1 . . . . . 333 ASN N . 26648 1 607 . 1 1 231 231 ASP H H 1 8.24 0 . 1 . . . . . 334 ASP H . 26648 1 608 . 1 1 231 231 ASP CA C 13 57.27 0 . 1 . . . . . 334 ASP CA . 26648 1 609 . 1 1 231 231 ASP CB C 13 40.68 0 . 1 . . . . . 334 ASP CB . 26648 1 610 . 1 1 231 231 ASP N N 15 120.20 0 . 1 . . . . . 334 ASP N . 26648 1 611 . 1 1 232 232 LEU H H 1 7.57 0 . 1 . . . . . 335 LEU H . 26648 1 612 . 1 1 232 232 LEU CA C 13 59.92 0 . 1 . . . . . 335 LEU CA . 26648 1 613 . 1 1 232 232 LEU CB C 13 37.85 0 . 1 . . . . . 335 LEU CB . 26648 1 614 . 1 1 232 232 LEU N N 15 121.50 0 . 1 . . . . . 335 LEU N . 26648 1 615 . 1 1 233 233 GLU H H 1 8.46 0 . 1 . . . . . 336 GLU H . 26648 1 616 . 1 1 233 233 GLU CA C 13 58.84 0 . 1 . . . . . 336 GLU CA . 26648 1 617 . 1 1 233 233 GLU CB C 13 28.58 0 . 1 . . . . . 336 GLU CB . 26648 1 618 . 1 1 233 233 GLU N N 15 118.20 0 . 1 . . . . . 336 GLU N . 26648 1 619 . 1 1 235 235 ASN H H 1 8.96 0 . 1 . . . . . 338 ASN H . 26648 1 620 . 1 1 235 235 ASN CA C 13 59.15 0 . 1 . . . . . 338 ASN CA . 26648 1 621 . 1 1 235 235 ASN CB C 13 39.54 0 . 1 . . . . . 338 ASN CB . 26648 1 622 . 1 1 235 235 ASN N N 15 120.20 0 . 1 . . . . . 338 ASN N . 26648 1 623 . 1 1 236 236 LYS H H 1 8.59 0 . 1 . . . . . 339 LYS H . 26648 1 624 . 1 1 236 236 LYS CA C 13 60.04 0 . 1 . . . . . 339 LYS CA . 26648 1 625 . 1 1 236 236 LYS CB C 13 31.69 0 . 1 . . . . . 339 LYS CB . 26648 1 626 . 1 1 236 236 LYS N N 15 118.00 0 . 1 . . . . . 339 LYS N . 26648 1 627 . 1 1 237 237 LEU H H 1 7.68 0 . 1 . . . . . 340 LEU H . 26648 1 628 . 1 1 237 237 LEU CA C 13 57.64 0 . 1 . . . . . 340 LEU CA . 26648 1 629 . 1 1 237 237 LEU CB C 13 41.66 0 . 1 . . . . . 340 LEU CB . 26648 1 630 . 1 1 237 237 LEU N N 15 121.90 0 . 1 . . . . . 340 LEU N . 26648 1 631 . 1 1 238 238 VAL H H 1 8.26 0 . 1 . . . . . 341 VAL H . 26648 1 632 . 1 1 238 238 VAL CA C 13 65.90 0 . 1 . . . . . 341 VAL CA . 26648 1 633 . 1 1 238 238 VAL CB C 13 30.51 0 . 1 . . . . . 341 VAL CB . 26648 1 634 . 1 1 238 238 VAL N N 15 119.50 0 . 1 . . . . . 341 VAL N . 26648 1 635 . 1 1 239 239 PHE H H 1 8.44 0 . 1 . . . . . 342 PHE H . 26648 1 636 . 1 1 239 239 PHE CA C 13 62.19 0 . 1 . . . . . 342 PHE CA . 26648 1 637 . 1 1 239 239 PHE CB C 13 38.56 0 . 1 . . . . . 342 PHE CB . 26648 1 638 . 1 1 239 239 PHE N N 15 116.70 0 . 1 . . . . . 342 PHE N . 26648 1 639 . 1 1 240 240 GLU H H 1 8.32 0 . 1 . . . . . 343 GLU H . 26648 1 640 . 1 1 240 240 GLU CA C 13 58.61 0 . 1 . . . . . 343 GLU CA . 26648 1 641 . 1 1 240 240 GLU CB C 13 28.23 0 . 1 . . . . . 343 GLU CB . 26648 1 642 . 1 1 240 240 GLU N N 15 120.10 0 . 1 . . . . . 343 GLU N . 26648 1 643 . 1 1 241 241 LEU H H 1 7.44 0 . 1 . . . . . 344 LEU H . 26648 1 644 . 1 1 241 241 LEU CA C 13 54.47 0 . 1 . . . . . 344 LEU CA . 26648 1 645 . 1 1 241 241 LEU CB C 13 41.15 0 . 1 . . . . . 344 LEU CB . 26648 1 646 . 1 1 241 241 LEU N N 15 120.00 0 . 1 . . . . . 344 LEU N . 26648 1 647 . 1 1 242 242 SER H H 1 7.23 0 . 1 . . . . . 345 SER H . 26648 1 648 . 1 1 242 242 SER CA C 13 59.18 0 . 1 . . . . . 345 SER CA . 26648 1 649 . 1 1 242 242 SER CB C 13 65.05 0 . 1 . . . . . 345 SER CB . 26648 1 650 . 1 1 242 242 SER N N 15 118.40 0 . 1 . . . . . 345 SER N . 26648 1 651 . 1 1 243 243 ALA H H 1 7.70 0 . 1 . . . . . 346 ALA H . 26648 1 652 . 1 1 243 243 ALA CA C 13 52.88 0 . 1 . . . . . 346 ALA CA . 26648 1 653 . 1 1 243 243 ALA CB C 13 17.84 0 . 1 . . . . . 346 ALA CB . 26648 1 654 . 1 1 243 243 ALA N N 15 118.30 0 . 1 . . . . . 346 ALA N . 26648 1 655 . 1 1 244 244 SER H H 1 8.53 0 . 1 . . . . . 347 SER H . 26648 1 656 . 1 1 244 244 SER CA C 13 55.69 0 . 1 . . . . . 347 SER CA . 26648 1 657 . 1 1 244 244 SER CB C 13 64.30 0 . 1 . . . . . 347 SER CB . 26648 1 658 . 1 1 244 244 SER N N 15 117.40 0 . 1 . . . . . 347 SER N . 26648 1 659 . 1 1 245 245 ASP H H 1 8.40 0 . 1 . . . . . 348 ASP H . 26648 1 660 . 1 1 245 245 ASP CA C 13 55.61 0 . 1 . . . . . 348 ASP CA . 26648 1 661 . 1 1 245 245 ASP N N 15 128.80 0 . 1 . . . . . 348 ASP N . 26648 1 662 . 1 1 258 258 GLU H H 1 8.06 0 . 1 . . . . . 361 GLU H . 26648 1 663 . 1 1 258 258 GLU CA C 13 57.52 0 . 1 . . . . . 361 GLU CA . 26648 1 664 . 1 1 258 258 GLU CB C 13 29.22 0 . 1 . . . . . 361 GLU CB . 26648 1 665 . 1 1 258 258 GLU N N 15 120.20 0 . 1 . . . . . 361 GLU N . 26648 1 666 . 1 1 259 259 LYS H H 1 7.79 0 . 1 . . . . . 362 LYS H . 26648 1 667 . 1 1 259 259 LYS CA C 13 57.25 0 . 1 . . . . . 362 LYS CA . 26648 1 668 . 1 1 259 259 LYS CB C 13 31.72 0 . 1 . . . . . 362 LYS CB . 26648 1 669 . 1 1 259 259 LYS N N 15 120.10 0 . 1 . . . . . 362 LYS N . 26648 1 670 . 1 1 260 260 ILE H H 1 7.67 0 . 1 . . . . . 363 ILE H . 26648 1 671 . 1 1 260 260 ILE CA C 13 61.98 0 . 1 . . . . . 363 ILE CA . 26648 1 672 . 1 1 260 260 ILE CB C 13 37.48 0 . 1 . . . . . 363 ILE CB . 26648 1 673 . 1 1 260 260 ILE N N 15 120.50 0 . 1 . . . . . 363 ILE N . 26648 1 674 . 1 1 291 291 GLY H H 1 7.92 0 . 1 . . . . . 394 GLY H . 26648 1 675 . 1 1 291 291 GLY CA C 13 44.98 0 . 1 . . . . . 394 GLY CA . 26648 1 676 . 1 1 291 291 GLY N N 15 103.90 0 . 1 . . . . . 394 GLY N . 26648 1 677 . 1 1 292 292 LYS H H 1 7.44 0 . 1 . . . . . 395 LYS H . 26648 1 678 . 1 1 292 292 LYS CA C 13 56.52 0 . 1 . . . . . 395 LYS CA . 26648 1 679 . 1 1 292 292 LYS CB C 13 31.91 0 . 1 . . . . . 395 LYS CB . 26648 1 680 . 1 1 292 292 LYS N N 15 121.70 0 . 1 . . . . . 395 LYS N . 26648 1 681 . 1 1 293 293 GLY H H 1 8.21 0 . 1 . . . . . 396 GLY H . 26648 1 682 . 1 1 293 293 GLY CA C 13 44.90 0 . 1 . . . . . 396 GLY CA . 26648 1 683 . 1 1 293 293 GLY N N 15 111.40 0 . 1 . . . . . 396 GLY N . 26648 1 684 . 1 1 294 294 TYR H H 1 7.14 0 . 1 . . . . . 397 TYR H . 26648 1 685 . 1 1 294 294 TYR CA C 13 56.96 0 . 1 . . . . . 397 TYR CA . 26648 1 686 . 1 1 294 294 TYR CB C 13 34.74 0 . 1 . . . . . 397 TYR CB . 26648 1 687 . 1 1 294 294 TYR N N 15 119.20 0 . 1 . . . . . 397 TYR N . 26648 1 688 . 1 1 295 295 ASN H H 1 6.31 0 . 1 . . . . . 398 ASN H . 26648 1 689 . 1 1 295 295 ASN CA C 13 52.64 0 . 1 . . . . . 398 ASN CA . 26648 1 690 . 1 1 295 295 ASN CB C 13 39.44 0 . 1 . . . . . 398 ASN CB . 26648 1 691 . 1 1 295 295 ASN N N 15 113.90 0 . 1 . . . . . 398 ASN N . 26648 1 692 . 1 1 296 296 TRP H H 1 7.51 0 . 1 . . . . . 399 TRP H . 26648 1 693 . 1 1 296 296 TRP CA C 13 57.68 0 . 1 . . . . . 399 TRP CA . 26648 1 694 . 1 1 296 296 TRP CB C 13 34.06 0 . 1 . . . . . 399 TRP CB . 26648 1 695 . 1 1 296 296 TRP N N 15 119.20 0 . 1 . . . . . 399 TRP N . 26648 1 696 . 1 1 297 297 GLY H H 1 8.56 0 . 1 . . . . . 400 GLY H . 26648 1 697 . 1 1 297 297 GLY CA C 13 44.82 0 . 1 . . . . . 400 GLY CA . 26648 1 698 . 1 1 297 297 GLY N N 15 104.70 0 . 1 . . . . . 400 GLY N . 26648 1 699 . 1 1 298 298 ASN H H 1 9.72 0 . 1 . . . . . 401 ASN H . 26648 1 700 . 1 1 298 298 ASN CA C 13 51.26 0 . 1 . . . . . 401 ASN CA . 26648 1 701 . 1 1 298 298 ASN CB C 13 41.26 0 . 1 . . . . . 401 ASN CB . 26648 1 702 . 1 1 298 298 ASN N N 15 121.70 0 . 1 . . . . . 401 ASN N . 26648 1 703 . 1 1 299 299 TYR H H 1 10.04 0 . 1 . . . . . 402 TYR H . 26648 1 704 . 1 1 299 299 TYR CA C 13 55.71 0 . 1 . . . . . 402 TYR CA . 26648 1 705 . 1 1 299 299 TYR CB C 13 38.76 0 . 1 . . . . . 402 TYR CB . 26648 1 706 . 1 1 299 299 TYR N N 15 125.80 0 . 1 . . . . . 402 TYR N . 26648 1 707 . 1 1 300 300 ASN H H 1 8.81 0 . 1 . . . . . 403 ASN H . 26648 1 708 . 1 1 300 300 ASN CA C 13 50.91 0 . 1 . . . . . 403 ASN CA . 26648 1 709 . 1 1 300 300 ASN CB C 13 37.63 0 . 1 . . . . . 403 ASN CB . 26648 1 710 . 1 1 300 300 ASN N N 15 127.50 0 . 1 . . . . . 403 ASN N . 26648 1 711 . 1 1 301 301 ARG H H 1 8.05 0 . 1 . . . . . 404 ARG H . 26648 1 712 . 1 1 301 301 ARG CA C 13 56.20 0 . 1 . . . . . 404 ARG CA . 26648 1 713 . 1 1 301 301 ARG CB C 13 29.70 0 . 1 . . . . . 404 ARG CB . 26648 1 714 . 1 1 301 301 ARG N N 15 122.50 0 . 1 . . . . . 404 ARG N . 26648 1 715 . 1 1 302 302 GLU H H 1 8.29 0 . 1 . . . . . 405 GLU H . 26648 1 716 . 1 1 302 302 GLU CA C 13 57.90 0 . 1 . . . . . 405 GLU CA . 26648 1 717 . 1 1 302 302 GLU CB C 13 29.33 0 . 1 . . . . . 405 GLU CB . 26648 1 718 . 1 1 302 302 GLU N N 15 121.50 0 . 1 . . . . . 405 GLU N . 26648 1 719 . 1 1 303 303 THR H H 1 7.58 0 . 1 . . . . . 406 THR H . 26648 1 720 . 1 1 303 303 THR CA C 13 60.80 0 . 1 . . . . . 406 THR CA . 26648 1 721 . 1 1 303 303 THR CB C 13 68.60 0 . 1 . . . . . 406 THR CB . 26648 1 722 . 1 1 303 303 THR N N 15 109.30 0 . 1 . . . . . 406 THR N . 26648 1 723 . 1 1 304 304 GLN H H 1 7.66 0 . 1 . . . . . 407 GLN H . 26648 1 724 . 1 1 304 304 GLN CB C 13 40.66 0 . 1 . . . . . 407 GLN CB . 26648 1 725 . 1 1 304 304 GLN N N 15 117.70 0 . 1 . . . . . 407 GLN N . 26648 1 726 . 1 1 305 305 LYS H H 1 7.30 0 . 1 . . . . . 408 LYS H . 26648 1 727 . 1 1 305 305 LYS CA C 13 53.26 0 . 1 . . . . . 408 LYS CA . 26648 1 728 . 1 1 305 305 LYS CB C 13 34.98 0 . 1 . . . . . 408 LYS CB . 26648 1 729 . 1 1 305 305 LYS N N 15 118.00 0 . 1 . . . . . 408 LYS N . 26648 1 730 . 1 1 306 306 CYS H H 1 9.76 0 . 1 . . . . . 409 CYS H . 26648 1 731 . 1 1 306 306 CYS CA C 13 53.42 0 . 1 . . . . . 409 CYS CA . 26648 1 732 . 1 1 306 306 CYS CB C 13 37.72 0 . 1 . . . . . 409 CYS CB . 26648 1 733 . 1 1 306 306 CYS N N 15 124.70 0 . 1 . . . . . 409 CYS N . 26648 1 734 . 1 1 307 307 GLU H H 1 9.43 0 . 1 . . . . . 410 GLU H . 26648 1 735 . 1 1 307 307 GLU CA C 13 55.24 0 . 1 . . . . . 410 GLU CA . 26648 1 736 . 1 1 307 307 GLU CB C 13 28.81 0 . 1 . . . . . 410 GLU CB . 26648 1 737 . 1 1 307 307 GLU N N 15 130.80 0 . 1 . . . . . 410 GLU N . 26648 1 738 . 1 1 308 308 ILE H H 1 9.07 0 . 1 . . . . . 411 ILE H . 26648 1 739 . 1 1 308 308 ILE CA C 13 62.66 0 . 1 . . . . . 411 ILE CA . 26648 1 740 . 1 1 308 308 ILE CB C 13 39.40 0 . 1 . . . . . 411 ILE CB . 26648 1 741 . 1 1 308 308 ILE N N 15 125.50 0 . 1 . . . . . 411 ILE N . 26648 1 742 . 1 1 309 309 PHE H H 1 8.36 0 . 1 . . . . . 412 PHE H . 26648 1 743 . 1 1 309 309 PHE CA C 13 56.41 0 . 1 . . . . . 412 PHE CA . 26648 1 744 . 1 1 309 309 PHE CB C 13 41.54 0 . 1 . . . . . 412 PHE CB . 26648 1 745 . 1 1 309 309 PHE N N 15 122.90 0 . 1 . . . . . 412 PHE N . 26648 1 746 . 1 1 310 310 ASN H H 1 8.13 0 . 1 . . . . . 413 ASN H . 26648 1 747 . 1 1 310 310 ASN CA C 13 52.16 0 . 1 . . . . . 413 ASN CA . 26648 1 748 . 1 1 310 310 ASN CB C 13 37.04 0 . 1 . . . . . 413 ASN CB . 26648 1 749 . 1 1 310 310 ASN N N 15 115.00 0 . 1 . . . . . 413 ASN N . 26648 1 750 . 1 1 311 311 VAL H H 1 7.00 0 . 1 . . . . . 414 VAL H . 26648 1 751 . 1 1 311 311 VAL CA C 13 58.73 0 . 1 . . . . . 414 VAL CA . 26648 1 752 . 1 1 311 311 VAL CB C 13 33.26 0 . 1 . . . . . 414 VAL CB . 26648 1 753 . 1 1 311 311 VAL N N 15 118.80 0 . 1 . . . . . 414 VAL N . 26648 1 754 . 1 1 312 312 LYS H H 1 7.48 0 . 1 . . . . . 415 LYS H . 26648 1 755 . 1 1 312 312 LYS CA C 13 52.48 0 . 1 . . . . . 415 LYS CA . 26648 1 756 . 1 1 312 312 LYS CB C 13 30.50 0 . 1 . . . . . 415 LYS CB . 26648 1 757 . 1 1 312 312 LYS N N 15 122.20 0 . 1 . . . . . 415 LYS N . 26648 1 758 . 1 1 314 314 THR H H 1 8.19 0 . 1 . . . . . 417 THR H . 26648 1 759 . 1 1 314 314 THR CA C 13 59.66 0 . 1 . . . . . 417 THR CA . 26648 1 760 . 1 1 314 314 THR CB C 13 69.80 0 . 1 . . . . . 417 THR CB . 26648 1 761 . 1 1 314 314 THR N N 15 106.10 0 . 1 . . . . . 417 THR N . 26648 1 762 . 1 1 315 315 CYS H H 1 7.96 0 . 1 . . . . . 418 CYS H . 26648 1 763 . 1 1 315 315 CYS CA C 13 55.96 0 . 1 . . . . . 418 CYS CA . 26648 1 764 . 1 1 315 315 CYS CB C 13 44.50 0 . 1 . . . . . 418 CYS CB . 26648 1 765 . 1 1 315 315 CYS N N 15 116.50 0 . 1 . . . . . 418 CYS N . 26648 1 766 . 1 1 316 316 LEU H H 1 7.89 0 . 1 . . . . . 419 LEU H . 26648 1 767 . 1 1 316 316 LEU CA C 13 52.47 0 . 1 . . . . . 419 LEU CA . 26648 1 768 . 1 1 316 316 LEU N N 15 114.30 0 . 1 . . . . . 419 LEU N . 26648 1 769 . 1 1 317 317 ILE H H 1 8.86 0 . 1 . . . . . 420 ILE H . 26648 1 770 . 1 1 317 317 ILE CA C 13 59.86 0 . 1 . . . . . 420 ILE CA . 26648 1 771 . 1 1 317 317 ILE CB C 13 40.28 0 . 1 . . . . . 420 ILE CB . 26648 1 772 . 1 1 317 317 ILE N N 15 123.30 0 . 1 . . . . . 420 ILE N . 26648 1 773 . 1 1 318 318 ASN H H 1 8.55 0 . 1 . . . . . 421 ASN H . 26648 1 774 . 1 1 318 318 ASN CA C 13 53.44 0 . 1 . . . . . 421 ASN CA . 26648 1 775 . 1 1 318 318 ASN CB C 13 38.11 0 . 1 . . . . . 421 ASN CB . 26648 1 776 . 1 1 318 318 ASN N N 15 126.00 0 . 1 . . . . . 421 ASN N . 26648 1 777 . 1 1 319 319 ASN H H 1 7.59 0 . 1 . . . . . 422 ASN H . 26648 1 778 . 1 1 319 319 ASN CA C 13 53.89 0 . 1 . . . . . 422 ASN CA . 26648 1 779 . 1 1 319 319 ASN CB C 13 39.87 0 . 1 . . . . . 422 ASN CB . 26648 1 780 . 1 1 319 319 ASN N N 15 124.80 0 . 1 . . . . . 422 ASN N . 26648 1 781 . 1 1 320 320 SER H H 1 8.76 0 . 1 . . . . . 423 SER H . 26648 1 782 . 1 1 320 320 SER CA C 13 60.35 0 . 1 . . . . . 423 SER CA . 26648 1 783 . 1 1 320 320 SER N N 15 122.20 0 . 1 . . . . . 423 SER N . 26648 1 784 . 1 1 321 321 SER H H 1 8.89 0 . 1 . . . . . 424 SER H . 26648 1 785 . 1 1 321 321 SER CA C 13 59.66 0 . 1 . . . . . 424 SER CA . 26648 1 786 . 1 1 321 321 SER CB C 13 62.91 0 . 1 . . . . . 424 SER CB . 26648 1 787 . 1 1 321 321 SER N N 15 117.70 0 . 1 . . . . . 424 SER N . 26648 1 788 . 1 1 322 322 TYR H H 1 7.52 0 . 1 . . . . . 425 TYR H . 26648 1 789 . 1 1 322 322 TYR CA C 13 57.66 0 . 1 . . . . . 425 TYR CA . 26648 1 790 . 1 1 322 322 TYR CB C 13 44.14 0 . 1 . . . . . 425 TYR CB . 26648 1 791 . 1 1 322 322 TYR N N 15 118.40 0 . 1 . . . . . 425 TYR N . 26648 1 792 . 1 1 323 323 ILE H H 1 9.01 0 . 1 . . . . . 426 ILE H . 26648 1 793 . 1 1 323 323 ILE CA C 13 60.38 0 . 1 . . . . . 426 ILE CA . 26648 1 794 . 1 1 323 323 ILE CB C 13 42.12 0 . 1 . . . . . 426 ILE CB . 26648 1 795 . 1 1 323 323 ILE N N 15 119.60 0 . 1 . . . . . 426 ILE N . 26648 1 796 . 1 1 324 324 ALA H H 1 8.35 0 . 1 . . . . . 427 ALA H . 26648 1 797 . 1 1 324 324 ALA CA C 13 51.47 0 . 1 . . . . . 427 ALA CA . 26648 1 798 . 1 1 324 324 ALA CB C 13 17.11 0 . 1 . . . . . 427 ALA CB . 26648 1 799 . 1 1 324 324 ALA N N 15 132.40 0 . 1 . . . . . 427 ALA N . 26648 1 800 . 1 1 325 325 THR H H 1 9.43 0 . 1 . . . . . 428 THR H . 26648 1 801 . 1 1 325 325 THR CA C 13 59.96 0 . 1 . . . . . 428 THR CA . 26648 1 802 . 1 1 325 325 THR CB C 13 72.26 0 . 1 . . . . . 428 THR CB . 26648 1 803 . 1 1 325 325 THR N N 15 120.30 0 . 1 . . . . . 428 THR N . 26648 1 804 . 1 1 326 326 THR H H 1 7.42 0 . 1 . . . . . 429 THR H . 26648 1 805 . 1 1 326 326 THR CA C 13 59.46 0 . 1 . . . . . 429 THR CA . 26648 1 806 . 1 1 326 326 THR CB C 13 73.34 0 . 1 . . . . . 429 THR CB . 26648 1 807 . 1 1 326 326 THR N N 15 112.30 0 . 1 . . . . . 429 THR N . 26648 1 808 . 1 1 327 327 ALA H H 1 8.60 0 . 1 . . . . . 430 ALA H . 26648 1 809 . 1 1 327 327 ALA CA C 13 54.63 0 . 1 . . . . . 430 ALA CA . 26648 1 810 . 1 1 327 327 ALA CB C 13 20.18 0 . 1 . . . . . 430 ALA CB . 26648 1 811 . 1 1 327 327 ALA N N 15 120.80 0 . 1 . . . . . 430 ALA N . 26648 1 812 . 1 1 328 328 LEU H H 1 7.07 0 . 1 . . . . . 431 LEU H . 26648 1 813 . 1 1 328 328 LEU CA C 13 56.54 0 . 1 . . . . . 431 LEU CA . 26648 1 814 . 1 1 328 328 LEU CB C 13 43.44 0 . 1 . . . . . 431 LEU CB . 26648 1 815 . 1 1 328 328 LEU N N 15 114.60 0 . 1 . . . . . 431 LEU N . 26648 1 816 . 1 1 329 329 SER H H 1 6.94 0 . 1 . . . . . 432 SER H . 26648 1 817 . 1 1 329 329 SER CA C 13 58.84 0 . 1 . . . . . 432 SER CA . 26648 1 818 . 1 1 329 329 SER CB C 13 63.37 0 . 1 . . . . . 432 SER CB . 26648 1 819 . 1 1 329 329 SER N N 15 111.30 0 . 1 . . . . . 432 SER N . 26648 1 820 . 1 1 330 330 HIS H H 1 8.85 0 . 1 . . . . . 433 HIS H . 26648 1 821 . 1 1 330 330 HIS CA C 13 56.61 0 . 1 . . . . . 433 HIS CA . 26648 1 822 . 1 1 330 330 HIS CB C 13 31.60 0 . 1 . . . . . 433 HIS CB . 26648 1 823 . 1 1 330 330 HIS N N 15 123.90 0 . 1 . . . . . 433 HIS N . 26648 1 824 . 1 1 332 332 ILE H H 1 8.81 0 . 1 . . . . . 435 ILE H . 26648 1 825 . 1 1 332 332 ILE CA C 13 60.54 0 . 1 . . . . . 435 ILE CA . 26648 1 826 . 1 1 332 332 ILE CB C 13 41.55 0 . 1 . . . . . 435 ILE CB . 26648 1 827 . 1 1 332 332 ILE N N 15 112.10 0 . 1 . . . . . 435 ILE N . 26648 1 828 . 1 1 333 333 GLU H H 1 8.23 0 . 1 . . . . . 436 GLU H . 26648 1 829 . 1 1 333 333 GLU CA C 13 57.99 0 . 1 . . . . . 436 GLU CA . 26648 1 830 . 1 1 333 333 GLU CB C 13 30.69 0 . 1 . . . . . 436 GLU CB . 26648 1 831 . 1 1 333 333 GLU N N 15 121.80 0 . 1 . . . . . 436 GLU N . 26648 1 832 . 1 1 334 334 VAL H H 1 8.23 0 . 1 . . . . . 437 VAL H . 26648 1 833 . 1 1 334 334 VAL CA C 13 59.12 0 . 1 . . . . . 437 VAL CA . 26648 1 834 . 1 1 334 334 VAL CB C 13 35.43 0 . 1 . . . . . 437 VAL CB . 26648 1 835 . 1 1 334 334 VAL N N 15 118.30 0 . 1 . . . . . 437 VAL N . 26648 1 836 . 1 1 335 335 GLU H H 1 8.66 0 . 1 . . . . . 438 GLU H . 26648 1 837 . 1 1 335 335 GLU CA C 13 57.23 0 . 1 . . . . . 438 GLU CA . 26648 1 838 . 1 1 335 335 GLU CB C 13 31.25 0 . 1 . . . . . 438 GLU CB . 26648 1 839 . 1 1 335 335 GLU N N 15 128.50 0 . 1 . . . . . 438 GLU N . 26648 1 stop_ save_