data_50024 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50024 _Entry.Title ; Smurf1 HECT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-23 _Entry.Accession_date 2019-09-23 _Entry.Last_release_date 2019-09-23 _Entry.Original_release_date 2019-09-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 1 _Entry.Generated_software_label $software_1 _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 Silke Wiesner . . . 0000-0003-0015-0167 50024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 28 50024 '1H chemical shifts' 84 50024 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 . . 2020-09-21 . original BMRB . 50024 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50024 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31628949 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The WW1 Domain Enhances Autoinhibition in Smurf Ubiquitin Ligases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 431 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 4834 _Citation.Page_last 4847 _Citation.Year 2019 _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 Natalia Ruetalo . . . . 50024 1 2 Samira Anders . . . . 50024 1 3 Carsten Stollmaier . . . . 50024 1 4 Magnus Jaeckl . . . . 50024 1 5 Mira Schuetz-Stoffregen . . . . 50024 1 6 Nadine Stefan . . . . 50024 1 7 Christine Wolf . . . . 50024 1 8 Silke Wiesner . . . . 50024 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HECT ligases, HECT domain, methyl NMR, autoinhibition, Smurf1' 50024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50024 _Assembly.ID 1 _Assembly.Name sf1hect _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 sf1hect 1 $entity_1 . . yes native no no . . . 50024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sf1hect _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSNPGTRRNGSSIKIRLTVL CAKNLAKKDFFRLPDPFAKI VVDGSGQCHSTDTVKNTLDP KWNQHYDLYVGKTDSITISV WNHKKIHKKQGAGFLGCVRL LSNAISRLKDTGYQRLDLCK LNPSDTDAVRGQIVVSLQTR DRIGTGGSVVDCRGLLENEG TVYEDSGPGRPLSCFMEEPA PYTDSTGAAAGGGNCRFVES PSQDQRLQAQRLRNPDVRGS LQTPQNRPHGHQSPELPEGY EQRTTVQGQVYFLHTQTGVS TWHDPRIPRDLNSVNCDELG PLPPGWEVRSTVSGRIYFVD HNNRTTQFTDPRLHHIMNHQ CQLKEPSQPLPLPSEGSLED EELPAQRYERDLVQKLKVLR HELSLQQPQAGHCRIEVSRE EIFEESYRQIMKMRPKDLKK RLMVKFRGEEGLDYGGVARE WLYLLCHEMLNPYYGLFQYS TDNIYMLQINPDSSINPDHL SYFHFVGRIMGLAVFHGHYI NGGFTVPFYKQLLGKPIQLS DLESVDPELHKSLVWILEND ITPVLDHTFCVEHNAFGRIL QHELKPNGRNVPVTEENKKE YVRLYVNWRFMRGIEAQFLA LQKGFNELIPQHLLKPFDQK ELELIIGGLDKIDLNDWKSN TRLKHCVADSNIVRWFWQAV ETFDEERRARLLQFVTGSTR VPLQGFKALQGSTGAAGPRL FTIHLIDANTDNLPKAHTCF NRIDIPPYESYEKLYEKLLT AVEETCGFAVE ; _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 731 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50024 1 2 . SER . 50024 1 3 . ASN . 50024 1 4 . PRO . 50024 1 5 . GLY . 50024 1 6 . THR . 50024 1 7 . ARG . 50024 1 8 . ARG . 50024 1 9 . ASN . 50024 1 10 . GLY . 50024 1 11 . SER . 50024 1 12 . SER . 50024 1 13 . ILE . 50024 1 14 . LYS . 50024 1 15 . ILE . 50024 1 16 . ARG . 50024 1 17 . LEU . 50024 1 18 . THR . 50024 1 19 . VAL . 50024 1 20 . LEU . 50024 1 21 . CYS . 50024 1 22 . ALA . 50024 1 23 . LYS . 50024 1 24 . ASN . 50024 1 25 . LEU . 50024 1 26 . ALA . 50024 1 27 . LYS . 50024 1 28 . LYS . 50024 1 29 . ASP . 50024 1 30 . PHE . 50024 1 31 . PHE . 50024 1 32 . ARG . 50024 1 33 . LEU . 50024 1 34 . PRO . 50024 1 35 . ASP . 50024 1 36 . PRO . 50024 1 37 . PHE . 50024 1 38 . ALA . 50024 1 39 . LYS . 50024 1 40 . ILE . 50024 1 41 . VAL . 50024 1 42 . VAL . 50024 1 43 . ASP . 50024 1 44 . GLY . 50024 1 45 . SER . 50024 1 46 . GLY . 50024 1 47 . GLN . 50024 1 48 . CYS . 50024 1 49 . HIS . 50024 1 50 . SER . 50024 1 51 . THR . 50024 1 52 . ASP . 50024 1 53 . THR . 50024 1 54 . VAL . 50024 1 55 . LYS . 50024 1 56 . ASN . 50024 1 57 . THR . 50024 1 58 . LEU . 50024 1 59 . ASP . 50024 1 60 . PRO . 50024 1 61 . LYS . 50024 1 62 . TRP . 50024 1 63 . ASN . 50024 1 64 . GLN . 50024 1 65 . HIS . 50024 1 66 . TYR . 50024 1 67 . ASP . 50024 1 68 . LEU . 50024 1 69 . TYR . 50024 1 70 . VAL . 50024 1 71 . GLY . 50024 1 72 . LYS . 50024 1 73 . THR . 50024 1 74 . ASP . 50024 1 75 . SER . 50024 1 76 . ILE . 50024 1 77 . THR . 50024 1 78 . ILE . 50024 1 79 . SER . 50024 1 80 . VAL . 50024 1 81 . TRP . 50024 1 82 . ASN . 50024 1 83 . HIS . 50024 1 84 . LYS . 50024 1 85 . LYS . 50024 1 86 . ILE . 50024 1 87 . HIS . 50024 1 88 . LYS . 50024 1 89 . LYS . 50024 1 90 . GLN . 50024 1 91 . GLY . 50024 1 92 . ALA . 50024 1 93 . GLY . 50024 1 94 . PHE . 50024 1 95 . LEU . 50024 1 96 . GLY . 50024 1 97 . CYS . 50024 1 98 . VAL . 50024 1 99 . ARG . 50024 1 100 . LEU . 50024 1 101 . LEU . 50024 1 102 . SER . 50024 1 103 . ASN . 50024 1 104 . ALA . 50024 1 105 . ILE . 50024 1 106 . SER . 50024 1 107 . ARG . 50024 1 108 . LEU . 50024 1 109 . LYS . 50024 1 110 . ASP . 50024 1 111 . THR . 50024 1 112 . GLY . 50024 1 113 . TYR . 50024 1 114 . GLN . 50024 1 115 . ARG . 50024 1 116 . LEU . 50024 1 117 . ASP . 50024 1 118 . LEU . 50024 1 119 . CYS . 50024 1 120 . LYS . 50024 1 121 . LEU . 50024 1 122 . ASN . 50024 1 123 . PRO . 50024 1 124 . SER . 50024 1 125 . ASP . 50024 1 126 . THR . 50024 1 127 . ASP . 50024 1 128 . ALA . 50024 1 129 . VAL . 50024 1 130 . ARG . 50024 1 131 . GLY . 50024 1 132 . GLN . 50024 1 133 . ILE . 50024 1 134 . VAL . 50024 1 135 . VAL . 50024 1 136 . SER . 50024 1 137 . LEU . 50024 1 138 . GLN . 50024 1 139 . THR . 50024 1 140 . ARG . 50024 1 141 . ASP . 50024 1 142 . ARG . 50024 1 143 . ILE . 50024 1 144 . GLY . 50024 1 145 . THR . 50024 1 146 . GLY . 50024 1 147 . GLY . 50024 1 148 . SER . 50024 1 149 . VAL . 50024 1 150 . VAL . 50024 1 151 . ASP . 50024 1 152 . CYS . 50024 1 153 . ARG . 50024 1 154 . GLY . 50024 1 155 . LEU . 50024 1 156 . LEU . 50024 1 157 . GLU . 50024 1 158 . ASN . 50024 1 159 . GLU . 50024 1 160 . GLY . 50024 1 161 . THR . 50024 1 162 . VAL . 50024 1 163 . TYR . 50024 1 164 . GLU . 50024 1 165 . ASP . 50024 1 166 . SER . 50024 1 167 . GLY . 50024 1 168 . PRO . 50024 1 169 . GLY . 50024 1 170 . ARG . 50024 1 171 . PRO . 50024 1 172 . LEU . 50024 1 173 . SER . 50024 1 174 . CYS . 50024 1 175 . PHE . 50024 1 176 . MET . 50024 1 177 . GLU . 50024 1 178 . GLU . 50024 1 179 . PRO . 50024 1 180 . ALA . 50024 1 181 . PRO . 50024 1 182 . TYR . 50024 1 183 . THR . 50024 1 184 . ASP . 50024 1 185 . SER . 50024 1 186 . THR . 50024 1 187 . GLY . 50024 1 188 . ALA . 50024 1 189 . ALA . 50024 1 190 . ALA . 50024 1 191 . GLY . 50024 1 192 . GLY . 50024 1 193 . GLY . 50024 1 194 . ASN . 50024 1 195 . CYS . 50024 1 196 . ARG . 50024 1 197 . PHE . 50024 1 198 . VAL . 50024 1 199 . GLU . 50024 1 200 . SER . 50024 1 201 . PRO . 50024 1 202 . SER . 50024 1 203 . GLN . 50024 1 204 . ASP . 50024 1 205 . GLN . 50024 1 206 . ARG . 50024 1 207 . LEU . 50024 1 208 . GLN . 50024 1 209 . ALA . 50024 1 210 . GLN . 50024 1 211 . ARG . 50024 1 212 . LEU . 50024 1 213 . ARG . 50024 1 214 . ASN . 50024 1 215 . PRO . 50024 1 216 . ASP . 50024 1 217 . VAL . 50024 1 218 . ARG . 50024 1 219 . GLY . 50024 1 220 . SER . 50024 1 221 . LEU . 50024 1 222 . GLN . 50024 1 223 . THR . 50024 1 224 . PRO . 50024 1 225 . GLN . 50024 1 226 . ASN . 50024 1 227 . ARG . 50024 1 228 . PRO . 50024 1 229 . HIS . 50024 1 230 . GLY . 50024 1 231 . HIS . 50024 1 232 . GLN . 50024 1 233 . SER . 50024 1 234 . PRO . 50024 1 235 . GLU . 50024 1 236 . LEU . 50024 1 237 . PRO . 50024 1 238 . GLU . 50024 1 239 . GLY . 50024 1 240 . TYR . 50024 1 241 . GLU . 50024 1 242 . GLN . 50024 1 243 . ARG . 50024 1 244 . THR . 50024 1 245 . THR . 50024 1 246 . VAL . 50024 1 247 . GLN . 50024 1 248 . GLY . 50024 1 249 . GLN . 50024 1 250 . VAL . 50024 1 251 . TYR . 50024 1 252 . PHE . 50024 1 253 . LEU . 50024 1 254 . HIS . 50024 1 255 . THR . 50024 1 256 . GLN . 50024 1 257 . THR . 50024 1 258 . GLY . 50024 1 259 . VAL . 50024 1 260 . SER . 50024 1 261 . THR . 50024 1 262 . TRP . 50024 1 263 . HIS . 50024 1 264 . ASP . 50024 1 265 . PRO . 50024 1 266 . ARG . 50024 1 267 . ILE . 50024 1 268 . PRO . 50024 1 269 . ARG . 50024 1 270 . ASP . 50024 1 271 . LEU . 50024 1 272 . ASN . 50024 1 273 . SER . 50024 1 274 . VAL . 50024 1 275 . ASN . 50024 1 276 . CYS . 50024 1 277 . ASP . 50024 1 278 . GLU . 50024 1 279 . LEU . 50024 1 280 . GLY . 50024 1 281 . PRO . 50024 1 282 . LEU . 50024 1 283 . PRO . 50024 1 284 . PRO . 50024 1 285 . GLY . 50024 1 286 . TRP . 50024 1 287 . GLU . 50024 1 288 . VAL . 50024 1 289 . ARG . 50024 1 290 . SER . 50024 1 291 . THR . 50024 1 292 . VAL . 50024 1 293 . SER . 50024 1 294 . GLY . 50024 1 295 . ARG . 50024 1 296 . ILE . 50024 1 297 . TYR . 50024 1 298 . PHE . 50024 1 299 . VAL . 50024 1 300 . ASP . 50024 1 301 . HIS . 50024 1 302 . ASN . 50024 1 303 . ASN . 50024 1 304 . ARG . 50024 1 305 . THR . 50024 1 306 . THR . 50024 1 307 . GLN . 50024 1 308 . PHE . 50024 1 309 . THR . 50024 1 310 . ASP . 50024 1 311 . PRO . 50024 1 312 . ARG . 50024 1 313 . LEU . 50024 1 314 . HIS . 50024 1 315 . HIS . 50024 1 316 . ILE . 50024 1 317 . MET . 50024 1 318 . ASN . 50024 1 319 . HIS . 50024 1 320 . GLN . 50024 1 321 . CYS . 50024 1 322 . GLN . 50024 1 323 . LEU . 50024 1 324 . LYS . 50024 1 325 . GLU . 50024 1 326 . PRO . 50024 1 327 . SER . 50024 1 328 . GLN . 50024 1 329 . PRO . 50024 1 330 . LEU . 50024 1 331 . PRO . 50024 1 332 . LEU . 50024 1 333 . PRO . 50024 1 334 . SER . 50024 1 335 . GLU . 50024 1 336 . GLY . 50024 1 337 . SER . 50024 1 338 . LEU . 50024 1 339 . GLU . 50024 1 340 . ASP . 50024 1 341 . GLU . 50024 1 342 . GLU . 50024 1 343 . LEU . 50024 1 344 . PRO . 50024 1 345 . ALA . 50024 1 346 . GLN . 50024 1 347 . ARG . 50024 1 348 . TYR . 50024 1 349 . GLU . 50024 1 350 . ARG . 50024 1 351 . ASP . 50024 1 352 . LEU . 50024 1 353 . VAL . 50024 1 354 . GLN . 50024 1 355 . LYS . 50024 1 356 . LEU . 50024 1 357 . LYS . 50024 1 358 . VAL . 50024 1 359 . LEU . 50024 1 360 . ARG . 50024 1 361 . HIS . 50024 1 362 . GLU . 50024 1 363 . LEU . 50024 1 364 . SER . 50024 1 365 . LEU . 50024 1 366 . GLN . 50024 1 367 . GLN . 50024 1 368 . PRO . 50024 1 369 . GLN . 50024 1 370 . ALA . 50024 1 371 . GLY . 50024 1 372 . HIS . 50024 1 373 . CYS . 50024 1 374 . ARG . 50024 1 375 . ILE . 50024 1 376 . GLU . 50024 1 377 . VAL . 50024 1 378 . SER . 50024 1 379 . ARG . 50024 1 380 . GLU . 50024 1 381 . GLU . 50024 1 382 . ILE . 50024 1 383 . PHE . 50024 1 384 . GLU . 50024 1 385 . GLU . 50024 1 386 . SER . 50024 1 387 . TYR . 50024 1 388 . ARG . 50024 1 389 . GLN . 50024 1 390 . ILE . 50024 1 391 . MET . 50024 1 392 . LYS . 50024 1 393 . MET . 50024 1 394 . ARG . 50024 1 395 . PRO . 50024 1 396 . LYS . 50024 1 397 . ASP . 50024 1 398 . LEU . 50024 1 399 . LYS . 50024 1 400 . LYS . 50024 1 401 . ARG . 50024 1 402 . LEU . 50024 1 403 . MET . 50024 1 404 . VAL . 50024 1 405 . LYS . 50024 1 406 . PHE . 50024 1 407 . ARG . 50024 1 408 . GLY . 50024 1 409 . GLU . 50024 1 410 . GLU . 50024 1 411 . GLY . 50024 1 412 . LEU . 50024 1 413 . ASP . 50024 1 414 . TYR . 50024 1 415 . GLY . 50024 1 416 . GLY . 50024 1 417 . VAL . 50024 1 418 . ALA . 50024 1 419 . ARG . 50024 1 420 . GLU . 50024 1 421 . TRP . 50024 1 422 . LEU . 50024 1 423 . TYR . 50024 1 424 . LEU . 50024 1 425 . LEU . 50024 1 426 . CYS . 50024 1 427 . HIS . 50024 1 428 . GLU . 50024 1 429 . MET . 50024 1 430 . LEU . 50024 1 431 . ASN . 50024 1 432 . PRO . 50024 1 433 . TYR . 50024 1 434 . TYR . 50024 1 435 . GLY . 50024 1 436 . LEU . 50024 1 437 . PHE . 50024 1 438 . GLN . 50024 1 439 . TYR . 50024 1 440 . SER . 50024 1 441 . THR . 50024 1 442 . ASP . 50024 1 443 . ASN . 50024 1 444 . ILE . 50024 1 445 . TYR . 50024 1 446 . MET . 50024 1 447 . LEU . 50024 1 448 . GLN . 50024 1 449 . ILE . 50024 1 450 . ASN . 50024 1 451 . PRO . 50024 1 452 . ASP . 50024 1 453 . SER . 50024 1 454 . SER . 50024 1 455 . ILE . 50024 1 456 . ASN . 50024 1 457 . PRO . 50024 1 458 . ASP . 50024 1 459 . HIS . 50024 1 460 . LEU . 50024 1 461 . SER . 50024 1 462 . TYR . 50024 1 463 . PHE . 50024 1 464 . HIS . 50024 1 465 . PHE . 50024 1 466 . VAL . 50024 1 467 . GLY . 50024 1 468 . ARG . 50024 1 469 . ILE . 50024 1 470 . MET . 50024 1 471 . GLY . 50024 1 472 . LEU . 50024 1 473 . ALA . 50024 1 474 . VAL . 50024 1 475 . PHE . 50024 1 476 . HIS . 50024 1 477 . GLY . 50024 1 478 . HIS . 50024 1 479 . TYR . 50024 1 480 . ILE . 50024 1 481 . ASN . 50024 1 482 . GLY . 50024 1 483 . GLY . 50024 1 484 . PHE . 50024 1 485 . THR . 50024 1 486 . VAL . 50024 1 487 . PRO . 50024 1 488 . PHE . 50024 1 489 . TYR . 50024 1 490 . LYS . 50024 1 491 . GLN . 50024 1 492 . LEU . 50024 1 493 . LEU . 50024 1 494 . GLY . 50024 1 495 . LYS . 50024 1 496 . PRO . 50024 1 497 . ILE . 50024 1 498 . GLN . 50024 1 499 . LEU . 50024 1 500 . SER . 50024 1 501 . ASP . 50024 1 502 . LEU . 50024 1 503 . GLU . 50024 1 504 . SER . 50024 1 505 . VAL . 50024 1 506 . ASP . 50024 1 507 . PRO . 50024 1 508 . GLU . 50024 1 509 . LEU . 50024 1 510 . HIS . 50024 1 511 . LYS . 50024 1 512 . SER . 50024 1 513 . LEU . 50024 1 514 . VAL . 50024 1 515 . TRP . 50024 1 516 . ILE . 50024 1 517 . LEU . 50024 1 518 . GLU . 50024 1 519 . ASN . 50024 1 520 . ASP . 50024 1 521 . ILE . 50024 1 522 . THR . 50024 1 523 . PRO . 50024 1 524 . VAL . 50024 1 525 . LEU . 50024 1 526 . ASP . 50024 1 527 . HIS . 50024 1 528 . THR . 50024 1 529 . PHE . 50024 1 530 . CYS . 50024 1 531 . VAL . 50024 1 532 . GLU . 50024 1 533 . HIS . 50024 1 534 . ASN . 50024 1 535 . ALA . 50024 1 536 . PHE . 50024 1 537 . GLY . 50024 1 538 . ARG . 50024 1 539 . ILE . 50024 1 540 . LEU . 50024 1 541 . GLN . 50024 1 542 . HIS . 50024 1 543 . GLU . 50024 1 544 . LEU . 50024 1 545 . LYS . 50024 1 546 . PRO . 50024 1 547 . ASN . 50024 1 548 . GLY . 50024 1 549 . ARG . 50024 1 550 . ASN . 50024 1 551 . VAL . 50024 1 552 . PRO . 50024 1 553 . VAL . 50024 1 554 . THR . 50024 1 555 . GLU . 50024 1 556 . GLU . 50024 1 557 . ASN . 50024 1 558 . LYS . 50024 1 559 . LYS . 50024 1 560 . GLU . 50024 1 561 . TYR . 50024 1 562 . VAL . 50024 1 563 . ARG . 50024 1 564 . LEU . 50024 1 565 . TYR . 50024 1 566 . VAL . 50024 1 567 . ASN . 50024 1 568 . TRP . 50024 1 569 . ARG . 50024 1 570 . PHE . 50024 1 571 . MET . 50024 1 572 . ARG . 50024 1 573 . GLY . 50024 1 574 . ILE . 50024 1 575 . GLU . 50024 1 576 . ALA . 50024 1 577 . GLN . 50024 1 578 . PHE . 50024 1 579 . LEU . 50024 1 580 . ALA . 50024 1 581 . LEU . 50024 1 582 . GLN . 50024 1 583 . LYS . 50024 1 584 . GLY . 50024 1 585 . PHE . 50024 1 586 . ASN . 50024 1 587 . GLU . 50024 1 588 . LEU . 50024 1 589 . ILE . 50024 1 590 . PRO . 50024 1 591 . GLN . 50024 1 592 . HIS . 50024 1 593 . LEU . 50024 1 594 . LEU . 50024 1 595 . LYS . 50024 1 596 . PRO . 50024 1 597 . PHE . 50024 1 598 . ASP . 50024 1 599 . GLN . 50024 1 600 . LYS . 50024 1 601 . GLU . 50024 1 602 . LEU . 50024 1 603 . GLU . 50024 1 604 . LEU . 50024 1 605 . ILE . 50024 1 606 . ILE . 50024 1 607 . GLY . 50024 1 608 . GLY . 50024 1 609 . LEU . 50024 1 610 . ASP . 50024 1 611 . LYS . 50024 1 612 . ILE . 50024 1 613 . ASP . 50024 1 614 . LEU . 50024 1 615 . ASN . 50024 1 616 . ASP . 50024 1 617 . TRP . 50024 1 618 . LYS . 50024 1 619 . SER . 50024 1 620 . ASN . 50024 1 621 . THR . 50024 1 622 . ARG . 50024 1 623 . LEU . 50024 1 624 . LYS . 50024 1 625 . HIS . 50024 1 626 . CYS . 50024 1 627 . VAL . 50024 1 628 . ALA . 50024 1 629 . ASP . 50024 1 630 . SER . 50024 1 631 . ASN . 50024 1 632 . ILE . 50024 1 633 . VAL . 50024 1 634 . ARG . 50024 1 635 . TRP . 50024 1 636 . PHE . 50024 1 637 . TRP . 50024 1 638 . GLN . 50024 1 639 . ALA . 50024 1 640 . VAL . 50024 1 641 . GLU . 50024 1 642 . THR . 50024 1 643 . PHE . 50024 1 644 . ASP . 50024 1 645 . GLU . 50024 1 646 . GLU . 50024 1 647 . ARG . 50024 1 648 . ARG . 50024 1 649 . ALA . 50024 1 650 . ARG . 50024 1 651 . LEU . 50024 1 652 . LEU . 50024 1 653 . GLN . 50024 1 654 . PHE . 50024 1 655 . VAL . 50024 1 656 . THR . 50024 1 657 . GLY . 50024 1 658 . SER . 50024 1 659 . THR . 50024 1 660 . ARG . 50024 1 661 . VAL . 50024 1 662 . PRO . 50024 1 663 . LEU . 50024 1 664 . GLN . 50024 1 665 . GLY . 50024 1 666 . PHE . 50024 1 667 . LYS . 50024 1 668 . ALA . 50024 1 669 . LEU . 50024 1 670 . GLN . 50024 1 671 . GLY . 50024 1 672 . SER . 50024 1 673 . THR . 50024 1 674 . GLY . 50024 1 675 . ALA . 50024 1 676 . ALA . 50024 1 677 . GLY . 50024 1 678 . PRO . 50024 1 679 . ARG . 50024 1 680 . LEU . 50024 1 681 . PHE . 50024 1 682 . THR . 50024 1 683 . ILE . 50024 1 684 . HIS . 50024 1 685 . LEU . 50024 1 686 . ILE . 50024 1 687 . ASP . 50024 1 688 . ALA . 50024 1 689 . ASN . 50024 1 690 . THR . 50024 1 691 . ASP . 50024 1 692 . ASN . 50024 1 693 . LEU . 50024 1 694 . PRO . 50024 1 695 . LYS . 50024 1 696 . ALA . 50024 1 697 . HIS . 50024 1 698 . THR . 50024 1 699 . CYS . 50024 1 700 . PHE . 50024 1 701 . ASN . 50024 1 702 . ARG . 50024 1 703 . ILE . 50024 1 704 . ASP . 50024 1 705 . ILE . 50024 1 706 . PRO . 50024 1 707 . PRO . 50024 1 708 . TYR . 50024 1 709 . GLU . 50024 1 710 . SER . 50024 1 711 . TYR . 50024 1 712 . GLU . 50024 1 713 . LYS . 50024 1 714 . LEU . 50024 1 715 . TYR . 50024 1 716 . GLU . 50024 1 717 . LYS . 50024 1 718 . LEU . 50024 1 719 . LEU . 50024 1 720 . THR . 50024 1 721 . ALA . 50024 1 722 . VAL . 50024 1 723 . GLU . 50024 1 724 . GLU . 50024 1 725 . THR . 50024 1 726 . CYS . 50024 1 727 . GLY . 50024 1 728 . PHE . 50024 1 729 . ALA . 50024 1 730 . VAL . 50024 1 731 . GLU . 50024 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 . MET 1 1 50024 1 . SER 2 2 50024 1 . ASN 3 3 50024 1 . PRO 4 4 50024 1 . GLY 5 5 50024 1 . THR 6 6 50024 1 . ARG 7 7 50024 1 . ARG 8 8 50024 1 . ASN 9 9 50024 1 . GLY 10 10 50024 1 . SER 11 11 50024 1 . SER 12 12 50024 1 . ILE 13 13 50024 1 . LYS 14 14 50024 1 . ILE 15 15 50024 1 . ARG 16 16 50024 1 . LEU 17 17 50024 1 . THR 18 18 50024 1 . VAL 19 19 50024 1 . LEU 20 20 50024 1 . CYS 21 21 50024 1 . ALA 22 22 50024 1 . LYS 23 23 50024 1 . ASN 24 24 50024 1 . LEU 25 25 50024 1 . ALA 26 26 50024 1 . LYS 27 27 50024 1 . LYS 28 28 50024 1 . ASP 29 29 50024 1 . PHE 30 30 50024 1 . PHE 31 31 50024 1 . ARG 32 32 50024 1 . LEU 33 33 50024 1 . PRO 34 34 50024 1 . ASP 35 35 50024 1 . PRO 36 36 50024 1 . PHE 37 37 50024 1 . ALA 38 38 50024 1 . LYS 39 39 50024 1 . ILE 40 40 50024 1 . VAL 41 41 50024 1 . VAL 42 42 50024 1 . ASP 43 43 50024 1 . GLY 44 44 50024 1 . SER 45 45 50024 1 . GLY 46 46 50024 1 . GLN 47 47 50024 1 . CYS 48 48 50024 1 . HIS 49 49 50024 1 . SER 50 50 50024 1 . THR 51 51 50024 1 . ASP 52 52 50024 1 . THR 53 53 50024 1 . VAL 54 54 50024 1 . LYS 55 55 50024 1 . ASN 56 56 50024 1 . THR 57 57 50024 1 . LEU 58 58 50024 1 . ASP 59 59 50024 1 . PRO 60 60 50024 1 . LYS 61 61 50024 1 . TRP 62 62 50024 1 . ASN 63 63 50024 1 . GLN 64 64 50024 1 . HIS 65 65 50024 1 . TYR 66 66 50024 1 . ASP 67 67 50024 1 . LEU 68 68 50024 1 . TYR 69 69 50024 1 . VAL 70 70 50024 1 . GLY 71 71 50024 1 . LYS 72 72 50024 1 . THR 73 73 50024 1 . ASP 74 74 50024 1 . SER 75 75 50024 1 . ILE 76 76 50024 1 . THR 77 77 50024 1 . ILE 78 78 50024 1 . SER 79 79 50024 1 . VAL 80 80 50024 1 . TRP 81 81 50024 1 . ASN 82 82 50024 1 . HIS 83 83 50024 1 . LYS 84 84 50024 1 . LYS 85 85 50024 1 . ILE 86 86 50024 1 . HIS 87 87 50024 1 . LYS 88 88 50024 1 . LYS 89 89 50024 1 . GLN 90 90 50024 1 . GLY 91 91 50024 1 . ALA 92 92 50024 1 . GLY 93 93 50024 1 . PHE 94 94 50024 1 . LEU 95 95 50024 1 . GLY 96 96 50024 1 . CYS 97 97 50024 1 . VAL 98 98 50024 1 . ARG 99 99 50024 1 . LEU 100 100 50024 1 . LEU 101 101 50024 1 . SER 102 102 50024 1 . ASN 103 103 50024 1 . ALA 104 104 50024 1 . ILE 105 105 50024 1 . SER 106 106 50024 1 . ARG 107 107 50024 1 . LEU 108 108 50024 1 . LYS 109 109 50024 1 . ASP 110 110 50024 1 . THR 111 111 50024 1 . GLY 112 112 50024 1 . TYR 113 113 50024 1 . GLN 114 114 50024 1 . ARG 115 115 50024 1 . LEU 116 116 50024 1 . ASP 117 117 50024 1 . LEU 118 118 50024 1 . CYS 119 119 50024 1 . LYS 120 120 50024 1 . LEU 121 121 50024 1 . ASN 122 122 50024 1 . PRO 123 123 50024 1 . SER 124 124 50024 1 . ASP 125 125 50024 1 . THR 126 126 50024 1 . ASP 127 127 50024 1 . ALA 128 128 50024 1 . VAL 129 129 50024 1 . ARG 130 130 50024 1 . GLY 131 131 50024 1 . GLN 132 132 50024 1 . ILE 133 133 50024 1 . VAL 134 134 50024 1 . VAL 135 135 50024 1 . SER 136 136 50024 1 . LEU 137 137 50024 1 . GLN 138 138 50024 1 . THR 139 139 50024 1 . ARG 140 140 50024 1 . ASP 141 141 50024 1 . ARG 142 142 50024 1 . ILE 143 143 50024 1 . GLY 144 144 50024 1 . THR 145 145 50024 1 . GLY 146 146 50024 1 . GLY 147 147 50024 1 . SER 148 148 50024 1 . VAL 149 149 50024 1 . VAL 150 150 50024 1 . ASP 151 151 50024 1 . CYS 152 152 50024 1 . ARG 153 153 50024 1 . GLY 154 154 50024 1 . LEU 155 155 50024 1 . LEU 156 156 50024 1 . GLU 157 157 50024 1 . ASN 158 158 50024 1 . GLU 159 159 50024 1 . GLY 160 160 50024 1 . THR 161 161 50024 1 . VAL 162 162 50024 1 . TYR 163 163 50024 1 . GLU 164 164 50024 1 . ASP 165 165 50024 1 . SER 166 166 50024 1 . GLY 167 167 50024 1 . PRO 168 168 50024 1 . GLY 169 169 50024 1 . ARG 170 170 50024 1 . PRO 171 171 50024 1 . LEU 172 172 50024 1 . SER 173 173 50024 1 . CYS 174 174 50024 1 . PHE 175 175 50024 1 . MET 176 176 50024 1 . GLU 177 177 50024 1 . GLU 178 178 50024 1 . PRO 179 179 50024 1 . ALA 180 180 50024 1 . PRO 181 181 50024 1 . TYR 182 182 50024 1 . THR 183 183 50024 1 . ASP 184 184 50024 1 . SER 185 185 50024 1 . THR 186 186 50024 1 . GLY 187 187 50024 1 . ALA 188 188 50024 1 . ALA 189 189 50024 1 . ALA 190 190 50024 1 . GLY 191 191 50024 1 . GLY 192 192 50024 1 . GLY 193 193 50024 1 . ASN 194 194 50024 1 . CYS 195 195 50024 1 . ARG 196 196 50024 1 . PHE 197 197 50024 1 . VAL 198 198 50024 1 . GLU 199 199 50024 1 . SER 200 200 50024 1 . PRO 201 201 50024 1 . SER 202 202 50024 1 . GLN 203 203 50024 1 . ASP 204 204 50024 1 . GLN 205 205 50024 1 . ARG 206 206 50024 1 . LEU 207 207 50024 1 . GLN 208 208 50024 1 . ALA 209 209 50024 1 . GLN 210 210 50024 1 . ARG 211 211 50024 1 . LEU 212 212 50024 1 . ARG 213 213 50024 1 . ASN 214 214 50024 1 . PRO 215 215 50024 1 . ASP 216 216 50024 1 . VAL 217 217 50024 1 . ARG 218 218 50024 1 . GLY 219 219 50024 1 . SER 220 220 50024 1 . LEU 221 221 50024 1 . GLN 222 222 50024 1 . THR 223 223 50024 1 . PRO 224 224 50024 1 . GLN 225 225 50024 1 . ASN 226 226 50024 1 . ARG 227 227 50024 1 . PRO 228 228 50024 1 . HIS 229 229 50024 1 . GLY 230 230 50024 1 . HIS 231 231 50024 1 . GLN 232 232 50024 1 . SER 233 233 50024 1 . PRO 234 234 50024 1 . GLU 235 235 50024 1 . LEU 236 236 50024 1 . PRO 237 237 50024 1 . GLU 238 238 50024 1 . GLY 239 239 50024 1 . TYR 240 240 50024 1 . GLU 241 241 50024 1 . GLN 242 242 50024 1 . ARG 243 243 50024 1 . THR 244 244 50024 1 . THR 245 245 50024 1 . VAL 246 246 50024 1 . GLN 247 247 50024 1 . GLY 248 248 50024 1 . GLN 249 249 50024 1 . VAL 250 250 50024 1 . TYR 251 251 50024 1 . PHE 252 252 50024 1 . LEU 253 253 50024 1 . HIS 254 254 50024 1 . THR 255 255 50024 1 . GLN 256 256 50024 1 . THR 257 257 50024 1 . GLY 258 258 50024 1 . VAL 259 259 50024 1 . SER 260 260 50024 1 . THR 261 261 50024 1 . TRP 262 262 50024 1 . HIS 263 263 50024 1 . ASP 264 264 50024 1 . PRO 265 265 50024 1 . ARG 266 266 50024 1 . ILE 267 267 50024 1 . PRO 268 268 50024 1 . ARG 269 269 50024 1 . ASP 270 270 50024 1 . LEU 271 271 50024 1 . ASN 272 272 50024 1 . SER 273 273 50024 1 . VAL 274 274 50024 1 . ASN 275 275 50024 1 . CYS 276 276 50024 1 . ASP 277 277 50024 1 . GLU 278 278 50024 1 . LEU 279 279 50024 1 . GLY 280 280 50024 1 . PRO 281 281 50024 1 . LEU 282 282 50024 1 . PRO 283 283 50024 1 . PRO 284 284 50024 1 . GLY 285 285 50024 1 . TRP 286 286 50024 1 . GLU 287 287 50024 1 . VAL 288 288 50024 1 . ARG 289 289 50024 1 . SER 290 290 50024 1 . THR 291 291 50024 1 . VAL 292 292 50024 1 . SER 293 293 50024 1 . GLY 294 294 50024 1 . ARG 295 295 50024 1 . ILE 296 296 50024 1 . TYR 297 297 50024 1 . PHE 298 298 50024 1 . VAL 299 299 50024 1 . ASP 300 300 50024 1 . HIS 301 301 50024 1 . ASN 302 302 50024 1 . ASN 303 303 50024 1 . ARG 304 304 50024 1 . THR 305 305 50024 1 . THR 306 306 50024 1 . GLN 307 307 50024 1 . PHE 308 308 50024 1 . THR 309 309 50024 1 . ASP 310 310 50024 1 . PRO 311 311 50024 1 . ARG 312 312 50024 1 . LEU 313 313 50024 1 . HIS 314 314 50024 1 . HIS 315 315 50024 1 . ILE 316 316 50024 1 . MET 317 317 50024 1 . ASN 318 318 50024 1 . HIS 319 319 50024 1 . GLN 320 320 50024 1 . CYS 321 321 50024 1 . GLN 322 322 50024 1 . LEU 323 323 50024 1 . LYS 324 324 50024 1 . GLU 325 325 50024 1 . PRO 326 326 50024 1 . SER 327 327 50024 1 . GLN 328 328 50024 1 . PRO 329 329 50024 1 . LEU 330 330 50024 1 . PRO 331 331 50024 1 . LEU 332 332 50024 1 . PRO 333 333 50024 1 . SER 334 334 50024 1 . GLU 335 335 50024 1 . GLY 336 336 50024 1 . SER 337 337 50024 1 . LEU 338 338 50024 1 . GLU 339 339 50024 1 . ASP 340 340 50024 1 . GLU 341 341 50024 1 . GLU 342 342 50024 1 . LEU 343 343 50024 1 . PRO 344 344 50024 1 . ALA 345 345 50024 1 . GLN 346 346 50024 1 . ARG 347 347 50024 1 . TYR 348 348 50024 1 . GLU 349 349 50024 1 . ARG 350 350 50024 1 . ASP 351 351 50024 1 . LEU 352 352 50024 1 . VAL 353 353 50024 1 . GLN 354 354 50024 1 . LYS 355 355 50024 1 . LEU 356 356 50024 1 . LYS 357 357 50024 1 . VAL 358 358 50024 1 . LEU 359 359 50024 1 . ARG 360 360 50024 1 . HIS 361 361 50024 1 . GLU 362 362 50024 1 . LEU 363 363 50024 1 . SER 364 364 50024 1 . LEU 365 365 50024 1 . GLN 366 366 50024 1 . GLN 367 367 50024 1 . PRO 368 368 50024 1 . GLN 369 369 50024 1 . ALA 370 370 50024 1 . GLY 371 371 50024 1 . HIS 372 372 50024 1 . CYS 373 373 50024 1 . ARG 374 374 50024 1 . ILE 375 375 50024 1 . GLU 376 376 50024 1 . VAL 377 377 50024 1 . SER 378 378 50024 1 . ARG 379 379 50024 1 . GLU 380 380 50024 1 . GLU 381 381 50024 1 . ILE 382 382 50024 1 . PHE 383 383 50024 1 . GLU 384 384 50024 1 . GLU 385 385 50024 1 . SER 386 386 50024 1 . TYR 387 387 50024 1 . ARG 388 388 50024 1 . GLN 389 389 50024 1 . ILE 390 390 50024 1 . MET 391 391 50024 1 . LYS 392 392 50024 1 . MET 393 393 50024 1 . ARG 394 394 50024 1 . PRO 395 395 50024 1 . LYS 396 396 50024 1 . ASP 397 397 50024 1 . LEU 398 398 50024 1 . LYS 399 399 50024 1 . LYS 400 400 50024 1 . ARG 401 401 50024 1 . LEU 402 402 50024 1 . MET 403 403 50024 1 . VAL 404 404 50024 1 . LYS 405 405 50024 1 . PHE 406 406 50024 1 . ARG 407 407 50024 1 . GLY 408 408 50024 1 . GLU 409 409 50024 1 . GLU 410 410 50024 1 . GLY 411 411 50024 1 . LEU 412 412 50024 1 . ASP 413 413 50024 1 . TYR 414 414 50024 1 . GLY 415 415 50024 1 . GLY 416 416 50024 1 . VAL 417 417 50024 1 . ALA 418 418 50024 1 . ARG 419 419 50024 1 . GLU 420 420 50024 1 . TRP 421 421 50024 1 . LEU 422 422 50024 1 . TYR 423 423 50024 1 . LEU 424 424 50024 1 . LEU 425 425 50024 1 . CYS 426 426 50024 1 . HIS 427 427 50024 1 . GLU 428 428 50024 1 . MET 429 429 50024 1 . LEU 430 430 50024 1 . ASN 431 431 50024 1 . PRO 432 432 50024 1 . TYR 433 433 50024 1 . TYR 434 434 50024 1 . GLY 435 435 50024 1 . LEU 436 436 50024 1 . PHE 437 437 50024 1 . GLN 438 438 50024 1 . TYR 439 439 50024 1 . SER 440 440 50024 1 . THR 441 441 50024 1 . ASP 442 442 50024 1 . ASN 443 443 50024 1 . ILE 444 444 50024 1 . TYR 445 445 50024 1 . MET 446 446 50024 1 . LEU 447 447 50024 1 . GLN 448 448 50024 1 . ILE 449 449 50024 1 . ASN 450 450 50024 1 . PRO 451 451 50024 1 . ASP 452 452 50024 1 . SER 453 453 50024 1 . SER 454 454 50024 1 . ILE 455 455 50024 1 . ASN 456 456 50024 1 . PRO 457 457 50024 1 . ASP 458 458 50024 1 . HIS 459 459 50024 1 . LEU 460 460 50024 1 . SER 461 461 50024 1 . TYR 462 462 50024 1 . PHE 463 463 50024 1 . HIS 464 464 50024 1 . PHE 465 465 50024 1 . VAL 466 466 50024 1 . GLY 467 467 50024 1 . ARG 468 468 50024 1 . ILE 469 469 50024 1 . MET 470 470 50024 1 . GLY 471 471 50024 1 . LEU 472 472 50024 1 . ALA 473 473 50024 1 . VAL 474 474 50024 1 . PHE 475 475 50024 1 . HIS 476 476 50024 1 . GLY 477 477 50024 1 . HIS 478 478 50024 1 . TYR 479 479 50024 1 . ILE 480 480 50024 1 . ASN 481 481 50024 1 . GLY 482 482 50024 1 . GLY 483 483 50024 1 . PHE 484 484 50024 1 . THR 485 485 50024 1 . VAL 486 486 50024 1 . PRO 487 487 50024 1 . PHE 488 488 50024 1 . TYR 489 489 50024 1 . LYS 490 490 50024 1 . GLN 491 491 50024 1 . LEU 492 492 50024 1 . LEU 493 493 50024 1 . GLY 494 494 50024 1 . LYS 495 495 50024 1 . PRO 496 496 50024 1 . ILE 497 497 50024 1 . GLN 498 498 50024 1 . LEU 499 499 50024 1 . SER 500 500 50024 1 . ASP 501 501 50024 1 . LEU 502 502 50024 1 . GLU 503 503 50024 1 . SER 504 504 50024 1 . VAL 505 505 50024 1 . ASP 506 506 50024 1 . PRO 507 507 50024 1 . GLU 508 508 50024 1 . LEU 509 509 50024 1 . HIS 510 510 50024 1 . LYS 511 511 50024 1 . SER 512 512 50024 1 . LEU 513 513 50024 1 . VAL 514 514 50024 1 . TRP 515 515 50024 1 . ILE 516 516 50024 1 . LEU 517 517 50024 1 . GLU 518 518 50024 1 . ASN 519 519 50024 1 . ASP 520 520 50024 1 . ILE 521 521 50024 1 . THR 522 522 50024 1 . PRO 523 523 50024 1 . VAL 524 524 50024 1 . LEU 525 525 50024 1 . ASP 526 526 50024 1 . HIS 527 527 50024 1 . THR 528 528 50024 1 . PHE 529 529 50024 1 . CYS 530 530 50024 1 . VAL 531 531 50024 1 . GLU 532 532 50024 1 . HIS 533 533 50024 1 . ASN 534 534 50024 1 . ALA 535 535 50024 1 . PHE 536 536 50024 1 . GLY 537 537 50024 1 . ARG 538 538 50024 1 . ILE 539 539 50024 1 . LEU 540 540 50024 1 . GLN 541 541 50024 1 . HIS 542 542 50024 1 . GLU 543 543 50024 1 . LEU 544 544 50024 1 . LYS 545 545 50024 1 . PRO 546 546 50024 1 . ASN 547 547 50024 1 . GLY 548 548 50024 1 . ARG 549 549 50024 1 . ASN 550 550 50024 1 . VAL 551 551 50024 1 . PRO 552 552 50024 1 . VAL 553 553 50024 1 . THR 554 554 50024 1 . GLU 555 555 50024 1 . GLU 556 556 50024 1 . ASN 557 557 50024 1 . LYS 558 558 50024 1 . LYS 559 559 50024 1 . GLU 560 560 50024 1 . TYR 561 561 50024 1 . VAL 562 562 50024 1 . ARG 563 563 50024 1 . LEU 564 564 50024 1 . TYR 565 565 50024 1 . VAL 566 566 50024 1 . ASN 567 567 50024 1 . TRP 568 568 50024 1 . ARG 569 569 50024 1 . PHE 570 570 50024 1 . MET 571 571 50024 1 . ARG 572 572 50024 1 . GLY 573 573 50024 1 . ILE 574 574 50024 1 . GLU 575 575 50024 1 . ALA 576 576 50024 1 . GLN 577 577 50024 1 . PHE 578 578 50024 1 . LEU 579 579 50024 1 . ALA 580 580 50024 1 . LEU 581 581 50024 1 . GLN 582 582 50024 1 . LYS 583 583 50024 1 . GLY 584 584 50024 1 . PHE 585 585 50024 1 . ASN 586 586 50024 1 . GLU 587 587 50024 1 . LEU 588 588 50024 1 . ILE 589 589 50024 1 . PRO 590 590 50024 1 . GLN 591 591 50024 1 . HIS 592 592 50024 1 . LEU 593 593 50024 1 . LEU 594 594 50024 1 . LYS 595 595 50024 1 . PRO 596 596 50024 1 . PHE 597 597 50024 1 . ASP 598 598 50024 1 . GLN 599 599 50024 1 . LYS 600 600 50024 1 . GLU 601 601 50024 1 . LEU 602 602 50024 1 . GLU 603 603 50024 1 . LEU 604 604 50024 1 . ILE 605 605 50024 1 . ILE 606 606 50024 1 . GLY 607 607 50024 1 . GLY 608 608 50024 1 . LEU 609 609 50024 1 . ASP 610 610 50024 1 . LYS 611 611 50024 1 . ILE 612 612 50024 1 . ASP 613 613 50024 1 . LEU 614 614 50024 1 . ASN 615 615 50024 1 . ASP 616 616 50024 1 . TRP 617 617 50024 1 . LYS 618 618 50024 1 . SER 619 619 50024 1 . ASN 620 620 50024 1 . THR 621 621 50024 1 . ARG 622 622 50024 1 . LEU 623 623 50024 1 . LYS 624 624 50024 1 . HIS 625 625 50024 1 . CYS 626 626 50024 1 . VAL 627 627 50024 1 . ALA 628 628 50024 1 . ASP 629 629 50024 1 . SER 630 630 50024 1 . ASN 631 631 50024 1 . ILE 632 632 50024 1 . VAL 633 633 50024 1 . ARG 634 634 50024 1 . TRP 635 635 50024 1 . PHE 636 636 50024 1 . TRP 637 637 50024 1 . GLN 638 638 50024 1 . ALA 639 639 50024 1 . VAL 640 640 50024 1 . GLU 641 641 50024 1 . THR 642 642 50024 1 . PHE 643 643 50024 1 . ASP 644 644 50024 1 . GLU 645 645 50024 1 . GLU 646 646 50024 1 . ARG 647 647 50024 1 . ARG 648 648 50024 1 . ALA 649 649 50024 1 . ARG 650 650 50024 1 . LEU 651 651 50024 1 . LEU 652 652 50024 1 . GLN 653 653 50024 1 . PHE 654 654 50024 1 . VAL 655 655 50024 1 . THR 656 656 50024 1 . GLY 657 657 50024 1 . SER 658 658 50024 1 . THR 659 659 50024 1 . ARG 660 660 50024 1 . VAL 661 661 50024 1 . PRO 662 662 50024 1 . LEU 663 663 50024 1 . GLN 664 664 50024 1 . GLY 665 665 50024 1 . PHE 666 666 50024 1 . LYS 667 667 50024 1 . ALA 668 668 50024 1 . LEU 669 669 50024 1 . GLN 670 670 50024 1 . GLY 671 671 50024 1 . SER 672 672 50024 1 . THR 673 673 50024 1 . GLY 674 674 50024 1 . ALA 675 675 50024 1 . ALA 676 676 50024 1 . GLY 677 677 50024 1 . PRO 678 678 50024 1 . ARG 679 679 50024 1 . LEU 680 680 50024 1 . PHE 681 681 50024 1 . THR 682 682 50024 1 . ILE 683 683 50024 1 . HIS 684 684 50024 1 . LEU 685 685 50024 1 . ILE 686 686 50024 1 . ASP 687 687 50024 1 . ALA 688 688 50024 1 . ASN 689 689 50024 1 . THR 690 690 50024 1 . ASP 691 691 50024 1 . ASN 692 692 50024 1 . LEU 693 693 50024 1 . PRO 694 694 50024 1 . LYS 695 695 50024 1 . ALA 696 696 50024 1 . HIS 697 697 50024 1 . THR 698 698 50024 1 . CYS 699 699 50024 1 . PHE 700 700 50024 1 . ASN 701 701 50024 1 . ARG 702 702 50024 1 . ILE 703 703 50024 1 . ASP 704 704 50024 1 . ILE 705 705 50024 1 . PRO 706 706 50024 1 . PRO 707 707 50024 1 . TYR 708 708 50024 1 . GLU 709 709 50024 1 . SER 710 710 50024 1 . TYR 711 711 50024 1 . GLU 712 712 50024 1 . LYS 713 713 50024 1 . LEU 714 714 50024 1 . TYR 715 715 50024 1 . GLU 716 716 50024 1 . LYS 717 717 50024 1 . LEU 718 718 50024 1 . LEU 719 719 50024 1 . THR 720 720 50024 1 . ALA 721 721 50024 1 . VAL 722 722 50024 1 . GLU 723 723 50024 1 . GLU 724 724 50024 1 . THR 725 725 50024 1 . CYS 726 726 50024 1 . GLY 727 727 50024 1 . PHE 728 728 50024 1 . ALA 729 729 50024 1 . VAL 730 730 50024 1 . GLU 731 731 50024 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50024 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50024 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50024 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . . . . plasmid . . pProExHTb . . . 50024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50024 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Smurf1 HECT domain' '1H,13C-Ile,Met methyl' . . 1 $entity_1 . . 0.04 . . mM . . . . 50024 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50024 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50024 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50024 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50024 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 50024 1 pH 6.5 . pH 50024 1 pressure 1 . atm 50024 1 temperature 298 . K 50024 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50024 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50024 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50024 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50024 _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-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50024 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 h2o h . . . . ppm 4.8 internal indirect 1 . . . . . 50024 1 H 1 h2o h . . . . ppm 4.8 internal indirect 1 . . . . . 50024 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 50024 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 375 375 ILE HD11 H 1 0.276 0.000 . . . . . . . 375 ILE HD1 . 50024 1 2 . 1 . 1 375 375 ILE HD12 H 1 0.276 0.000 . . . . . . . 375 ILE HD1 . 50024 1 3 . 1 . 1 375 375 ILE HD13 H 1 0.276 0.000 . . . . . . . 375 ILE HD1 . 50024 1 4 . 1 . 1 375 375 ILE CD1 C 13 10.193 0.000 . . . . . . . 375 ILE CD1 . 50024 1 5 . 1 . 1 382 382 ILE HD11 H 1 1.286 0.000 . . . . . . . 382 ILE HD1 . 50024 1 6 . 1 . 1 382 382 ILE HD12 H 1 1.286 0.000 . . . . . . . 382 ILE HD1 . 50024 1 7 . 1 . 1 382 382 ILE HD13 H 1 1.286 0.000 . . . . . . . 382 ILE HD1 . 50024 1 8 . 1 . 1 382 382 ILE CD1 C 13 13.529 0.000 . . . . . . . 382 ILE CD1 . 50024 1 9 . 1 . 1 390 390 ILE HD11 H 1 0.970 0.000 . . . . . . . 390 ILE HD1 . 50024 1 10 . 1 . 1 390 390 ILE HD12 H 1 0.970 0.000 . . . . . . . 390 ILE HD1 . 50024 1 11 . 1 . 1 390 390 ILE HD13 H 1 0.970 0.000 . . . . . . . 390 ILE HD1 . 50024 1 12 . 1 . 1 390 390 ILE CD1 C 13 8.655 0.000 . . . . . . . 390 ILE CD1 . 50024 1 13 . 1 . 1 391 391 MET HE1 H 1 1.561 0.000 . . . . . . . 391 MET HE . 50024 1 14 . 1 . 1 391 391 MET HE2 H 1 1.561 0.000 . . . . . . . 391 MET HE . 50024 1 15 . 1 . 1 391 391 MET HE3 H 1 1.561 0.000 . . . . . . . 391 MET HE . 50024 1 16 . 1 . 1 391 391 MET CE C 13 11.813 0.000 . . . . . . . 391 MET CE . 50024 1 17 . 1 . 1 393 393 MET HE1 H 1 1.978 0.000 . . . . . . . 393 MET HE . 50024 1 18 . 1 . 1 393 393 MET HE2 H 1 1.978 0.000 . . . . . . . 393 MET HE . 50024 1 19 . 1 . 1 393 393 MET HE3 H 1 1.978 0.000 . . . . . . . 393 MET HE . 50024 1 20 . 1 . 1 393 393 MET CE C 13 15.978 0.000 . . . . . . . 393 MET CE . 50024 1 21 . 1 . 1 403 403 MET HE1 H 1 1.508 0.000 . . . . . . . 403 MET HE . 50024 1 22 . 1 . 1 403 403 MET HE2 H 1 1.508 0.000 . . . . . . . 403 MET HE . 50024 1 23 . 1 . 1 403 403 MET HE3 H 1 1.508 0.000 . . . . . . . 403 MET HE . 50024 1 24 . 1 . 1 403 403 MET CE C 13 13.875 0.000 . . . . . . . 403 MET CE . 50024 1 25 . 1 . 1 429 429 MET HE1 H 1 1.901 0.000 . . . . . . . 429 MET HE . 50024 1 26 . 1 . 1 429 429 MET HE2 H 1 1.901 0.000 . . . . . . . 429 MET HE . 50024 1 27 . 1 . 1 429 429 MET HE3 H 1 1.901 0.000 . . . . . . . 429 MET HE . 50024 1 28 . 1 . 1 429 429 MET CE C 13 15.405 0.000 . . . . . . . 429 MET CE . 50024 1 29 . 1 . 1 444 444 ILE HD11 H 1 0.551 0.000 . . . . . . . 444 ILE HD1 . 50024 1 30 . 1 . 1 444 444 ILE HD12 H 1 0.551 0.000 . . . . . . . 444 ILE HD1 . 50024 1 31 . 1 . 1 444 444 ILE HD13 H 1 0.551 0.000 . . . . . . . 444 ILE HD1 . 50024 1 32 . 1 . 1 444 444 ILE CD1 C 13 10.791 0.000 . . . . . . . 444 ILE CD1 . 50024 1 33 . 1 . 1 446 446 MET HE1 H 1 2.168 0.000 . . . . . . . 446 MET HE . 50024 1 34 . 1 . 1 446 446 MET HE2 H 1 2.168 0.000 . . . . . . . 446 MET HE . 50024 1 35 . 1 . 1 446 446 MET HE3 H 1 2.168 0.000 . . . . . . . 446 MET HE . 50024 1 36 . 1 . 1 446 446 MET CE C 13 15.449 0.000 . . . . . . . 446 MET CE . 50024 1 37 . 1 . 1 449 449 ILE HD11 H 1 0.822 0.000 . . . . . . . 449 ILE HD1 . 50024 1 38 . 1 . 1 449 449 ILE HD12 H 1 0.822 0.000 . . . . . . . 449 ILE HD1 . 50024 1 39 . 1 . 1 449 449 ILE HD13 H 1 0.822 0.000 . . . . . . . 449 ILE HD1 . 50024 1 40 . 1 . 1 449 449 ILE CD1 C 13 10.545 0.000 . . . . . . . 449 ILE CD1 . 50024 1 41 . 1 . 1 455 455 ILE HD11 H 1 0.843 0.000 . . . . . . . 455 ILE HD1 . 50024 1 42 . 1 . 1 455 455 ILE HD12 H 1 0.843 0.000 . . . . . . . 455 ILE HD1 . 50024 1 43 . 1 . 1 455 455 ILE HD13 H 1 0.843 0.000 . . . . . . . 455 ILE HD1 . 50024 1 44 . 1 . 1 455 455 ILE CD1 C 13 10.673 0.000 . . . . . . . 455 ILE CD1 . 50024 1 45 . 1 . 1 469 469 ILE HD11 H 1 0.464 0.000 . . . . . . . 469 ILE HD1 . 50024 1 46 . 1 . 1 469 469 ILE HD12 H 1 0.464 0.000 . . . . . . . 469 ILE HD1 . 50024 1 47 . 1 . 1 469 469 ILE HD13 H 1 0.464 0.000 . . . . . . . 469 ILE HD1 . 50024 1 48 . 1 . 1 469 469 ILE CD1 C 13 22.676 0.000 . . . . . . . 469 ILE CD1 . 50024 1 49 . 1 . 1 470 470 MET HE1 H 1 1.724 0.000 . . . . . . . 470 MET HE . 50024 1 50 . 1 . 1 470 470 MET HE2 H 1 1.724 0.000 . . . . . . . 470 MET HE . 50024 1 51 . 1 . 1 470 470 MET HE3 H 1 1.724 0.000 . . . . . . . 470 MET HE . 50024 1 52 . 1 . 1 470 470 MET CE C 13 14.131 0.000 . . . . . . . 470 MET CE . 50024 1 53 . 1 . 1 480 480 ILE HD11 H 1 0.697 0.000 . . . . . . . 480 ILE HD1 . 50024 1 54 . 1 . 1 480 480 ILE HD12 H 1 0.697 0.000 . . . . . . . 480 ILE HD1 . 50024 1 55 . 1 . 1 480 480 ILE HD13 H 1 0.697 0.000 . . . . . . . 480 ILE HD1 . 50024 1 56 . 1 . 1 480 480 ILE CD1 C 13 8.754 0.000 . . . . . . . 480 ILE CD1 . 50024 1 57 . 1 . 1 497 497 ILE HD11 H 1 0.493 0.000 . . . . . . . 497 ILE HD1 . 50024 1 58 . 1 . 1 497 497 ILE HD12 H 1 0.493 0.000 . . . . . . . 497 ILE HD1 . 50024 1 59 . 1 . 1 497 497 ILE HD13 H 1 0.493 0.000 . . . . . . . 497 ILE HD1 . 50024 1 60 . 1 . 1 497 497 ILE CD1 C 13 9.364 0.000 . . . . . . . 497 ILE CD1 . 50024 1 61 . 1 . 1 516 516 ILE HD11 H 1 0.947 0.000 . . . . . . . 516 ILE HD1 . 50024 1 62 . 1 . 1 516 516 ILE HD12 H 1 0.947 0.000 . . . . . . . 516 ILE HD1 . 50024 1 63 . 1 . 1 516 516 ILE HD13 H 1 0.947 0.000 . . . . . . . 516 ILE HD1 . 50024 1 64 . 1 . 1 516 516 ILE CD1 C 13 10.727 0.000 . . . . . . . 516 ILE CD1 . 50024 1 65 . 1 . 1 539 539 ILE HD11 H 1 0.742 0.000 . . . . . . . 539 ILE HD1 . 50024 1 66 . 1 . 1 539 539 ILE HD12 H 1 0.742 0.000 . . . . . . . 539 ILE HD1 . 50024 1 67 . 1 . 1 539 539 ILE HD13 H 1 0.742 0.000 . . . . . . . 539 ILE HD1 . 50024 1 68 . 1 . 1 539 539 ILE CD1 C 13 9.063 0.000 . . . . . . . 539 ILE CD1 . 50024 1 69 . 1 . 1 571 571 MET HE1 H 1 1.677 0.000 . . . . . . . 571 MET HE . 50024 1 70 . 1 . 1 571 571 MET HE2 H 1 1.677 0.000 . . . . . . . 571 MET HE . 50024 1 71 . 1 . 1 571 571 MET HE3 H 1 1.677 0.000 . . . . . . . 571 MET HE . 50024 1 72 . 1 . 1 571 571 MET CE C 13 13.816 0.000 . . . . . . . 571 MET CE . 50024 1 73 . 1 . 1 574 574 ILE HD11 H 1 0.873 0.000 . . . . . . . 574 ILE HD1 . 50024 1 74 . 1 . 1 574 574 ILE HD12 H 1 0.873 0.000 . . . . . . . 574 ILE HD1 . 50024 1 75 . 1 . 1 574 574 ILE HD13 H 1 0.873 0.000 . . . . . . . 574 ILE HD1 . 50024 1 76 . 1 . 1 574 574 ILE CD1 C 13 12.890 0.000 . . . . . . . 574 ILE CD1 . 50024 1 77 . 1 . 1 589 589 ILE HD11 H 1 0.710 0.000 . . . . . . . 589 ILE HD1 . 50024 1 78 . 1 . 1 589 589 ILE HD12 H 1 0.710 0.000 . . . . . . . 589 ILE HD1 . 50024 1 79 . 1 . 1 589 589 ILE HD13 H 1 0.710 0.000 . . . . . . . 589 ILE HD1 . 50024 1 80 . 1 . 1 589 589 ILE CD1 C 13 24.063 0.000 . . . . . . . 589 ILE CD1 . 50024 1 81 . 1 . 1 605 605 ILE HD11 H 1 -0.050 0.000 . . . . . . . 605 ILE HD1 . 50024 1 82 . 1 . 1 605 605 ILE HD12 H 1 -0.050 0.000 . . . . . . . 605 ILE HD1 . 50024 1 83 . 1 . 1 605 605 ILE HD13 H 1 -0.050 0.000 . . . . . . . 605 ILE HD1 . 50024 1 84 . 1 . 1 605 605 ILE CD1 C 13 9.711 0.000 . . . . . . . 605 ILE CD1 . 50024 1 85 . 1 . 1 606 606 ILE HD11 H 1 0.837 0.000 . . . . . . . 606 ILE HD1 . 50024 1 86 . 1 . 1 606 606 ILE HD12 H 1 0.837 0.000 . . . . . . . 606 ILE HD1 . 50024 1 87 . 1 . 1 606 606 ILE HD13 H 1 0.837 0.000 . . . . . . . 606 ILE HD1 . 50024 1 88 . 1 . 1 606 606 ILE CD1 C 13 10.977 0.000 . . . . . . . 606 ILE CD1 . 50024 1 89 . 1 . 1 612 612 ILE HD11 H 1 0.799 0.000 . . . . . . . 612 ILE HD1 . 50024 1 90 . 1 . 1 612 612 ILE HD12 H 1 0.799 0.000 . . . . . . . 612 ILE HD1 . 50024 1 91 . 1 . 1 612 612 ILE HD13 H 1 0.799 0.000 . . . . . . . 612 ILE HD1 . 50024 1 92 . 1 . 1 612 612 ILE CD1 C 13 10.946 0.000 . . . . . . . 612 ILE CD1 . 50024 1 93 . 1 . 1 632 632 ILE HD11 H 1 1.207 0.000 . . . . . . . 632 ILE HD1 . 50024 1 94 . 1 . 1 632 632 ILE HD12 H 1 1.207 0.000 . . . . . . . 632 ILE HD1 . 50024 1 95 . 1 . 1 632 632 ILE HD13 H 1 1.207 0.000 . . . . . . . 632 ILE HD1 . 50024 1 96 . 1 . 1 632 632 ILE CD1 C 13 11.635 0.000 . . . . . . . 632 ILE CD1 . 50024 1 97 . 1 . 1 683 683 ILE HD11 H 1 0.128 0.000 . . . . . . . 683 ILE HD1 . 50024 1 98 . 1 . 1 683 683 ILE HD12 H 1 0.128 0.000 . . . . . . . 683 ILE HD1 . 50024 1 99 . 1 . 1 683 683 ILE HD13 H 1 0.128 0.000 . . . . . . . 683 ILE HD1 . 50024 1 100 . 1 . 1 683 683 ILE CD1 C 13 11.055 0.000 . . . . . . . 683 ILE CD1 . 50024 1 101 . 1 . 1 686 686 ILE HD11 H 1 0.662 0.000 . . . . . . . 686 ILE HD1 . 50024 1 102 . 1 . 1 686 686 ILE HD12 H 1 0.662 0.000 . . . . . . . 686 ILE HD1 . 50024 1 103 . 1 . 1 686 686 ILE HD13 H 1 0.662 0.000 . . . . . . . 686 ILE HD1 . 50024 1 104 . 1 . 1 686 686 ILE CD1 C 13 11.671 0.000 . . . . . . . 686 ILE CD1 . 50024 1 105 . 1 . 1 703 703 ILE HD11 H 1 1.026 0.000 . . . . . . . 703 ILE HD1 . 50024 1 106 . 1 . 1 703 703 ILE HD12 H 1 1.026 0.000 . . . . . . . 703 ILE HD1 . 50024 1 107 . 1 . 1 703 703 ILE HD13 H 1 1.026 0.000 . . . . . . . 703 ILE HD1 . 50024 1 108 . 1 . 1 703 703 ILE CD1 C 13 11.128 0.000 . . . . . . . 703 ILE CD1 . 50024 1 109 . 1 . 1 705 705 ILE HD11 H 1 0.791 0.000 . . . . . . . 705 ILE HD1 . 50024 1 110 . 1 . 1 705 705 ILE HD12 H 1 0.791 0.000 . . . . . . . 705 ILE HD1 . 50024 1 111 . 1 . 1 705 705 ILE HD13 H 1 0.791 0.000 . . . . . . . 705 ILE HD1 . 50024 1 112 . 1 . 1 705 705 ILE CD1 C 13 10.575 0.000 . . . . . . . 705 ILE CD1 . 50024 1 stop_ save_