data_52722 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52722 _Entry.Title ; The methyl assignment of ADP-bound state of E. coli Hsp90 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-26 _Entry.Accession_date 2024-11-26 _Entry.Last_release_date 2024-11-26 _Entry.Original_release_date 2024-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 Xiaozhan Qu . . . . 52722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 52722 '1H chemical shifts' 681 52722 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-19 . original BMRB . 52722 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52720 'The methyl assignment of E. coli Hsp90 M domain' 52722 BMRB 52721 'The methyl assignment of E. coli Hsp90' 52722 BMRB 52723 'The methyl assignment of AMPPNP-bound state of E. coli Hsp90' 52722 BMRB 52724 'The methyl assignment of AMPPNP-bound state of E. coli Hsp90 N domain' 52722 BMRB 52725 'The methyl assignment of ADP-bound state of E. coli Hsp90 N domain' 52722 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52722 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39663352 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The dynamic triage interplay of Hsp90 with its chaperone cycle and client binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 10661 _Citation.Page_last 10661 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiaozhan Qu X. . . . 52722 1 2 Simin Wang S. . . . 52722 1 3 Shuo Zhao S. . . . 52722 1 4 Chanjuan Wan C. . . . 52722 1 5 Weiya Xu W. . . . 52722 1 6 Chengdong Huang C. . . . 52722 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52722 _Assembly.ID 1 _Assembly.Name 'The ADP-bound state of E coli Hsp90' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'The Ecoli Hsp90' 1 $entity_1 . . yes native no no . . . 52722 1 2 ADP 2 $entity_ADP . . no native no no . . . 52722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52722 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MKGQETRGFQSEVKQLLHLM IHSLYSNKEIFLRELISNAS DAADKLRFRALSNPDLYEGD GELRVRVSFDKDKRTLTISD NGVGMTRDEVIDHLGTIAKS GTKSFLESLGSDQAKDSQLI GQFGVGFYSAFIVADKVTVR TRAAGEKPENGVFWESAGEG EYTVADITKEDRGTEITLHL REGEDEFLDDWRVRSIISKY SDHIALPVEIEKREEKDGET VISWEKINKAQALWTRNKSE ITDEEYKEFYKHIAHDFNDP LTWSHNRVEGKQEYTSLLYI PSQAPWDMWNRDHKHGLKLY VQRVFIMDDAEQFMPNYLRF VRGLIDSSDLPLNVSREILQ DSTVTRNLRNALTKRVLQML EKLAKDDAEKYQTFWQQFGL VLKEGPAEDFANQEAIAKLL RFASTHTDSSAQTVSLEDYV SRMKEGQEKIYYITADSYAA AKSSPHLELLRKKGIEVLLL SDRIDEWMMNYLTEFDGKPF QSVSKVDESLEKLADEVDES AKEAEKALTPFIDRVKALLG ERVKDVRLTHRLTDTPAIVS TDADEMSTQMAKLFAAAGQK VPEVKYIFELNPDHVLVKRA ADTEDEAKFSEWVELLLDQA LLAERGTLEDPNLFIRRMNQ LLVS ; _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 . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 52722 1 2 . LYS . 52722 1 3 . GLY . 52722 1 4 . GLN . 52722 1 5 . GLU . 52722 1 6 . THR . 52722 1 7 . ARG . 52722 1 8 . GLY . 52722 1 9 . PHE . 52722 1 10 . GLN . 52722 1 11 . SER . 52722 1 12 . GLU . 52722 1 13 . VAL . 52722 1 14 . LYS . 52722 1 15 . GLN . 52722 1 16 . LEU . 52722 1 17 . LEU . 52722 1 18 . HIS . 52722 1 19 . LEU . 52722 1 20 . MET . 52722 1 21 . ILE . 52722 1 22 . HIS . 52722 1 23 . SER . 52722 1 24 . LEU . 52722 1 25 . TYR . 52722 1 26 . SER . 52722 1 27 . ASN . 52722 1 28 . LYS . 52722 1 29 . GLU . 52722 1 30 . ILE . 52722 1 31 . PHE . 52722 1 32 . LEU . 52722 1 33 . ARG . 52722 1 34 . GLU . 52722 1 35 . LEU . 52722 1 36 . ILE . 52722 1 37 . SER . 52722 1 38 . ASN . 52722 1 39 . ALA . 52722 1 40 . SER . 52722 1 41 . ASP . 52722 1 42 . ALA . 52722 1 43 . ALA . 52722 1 44 . ASP . 52722 1 45 . LYS . 52722 1 46 . LEU . 52722 1 47 . ARG . 52722 1 48 . PHE . 52722 1 49 . ARG . 52722 1 50 . ALA . 52722 1 51 . LEU . 52722 1 52 . SER . 52722 1 53 . ASN . 52722 1 54 . PRO . 52722 1 55 . ASP . 52722 1 56 . LEU . 52722 1 57 . TYR . 52722 1 58 . GLU . 52722 1 59 . GLY . 52722 1 60 . ASP . 52722 1 61 . GLY . 52722 1 62 . GLU . 52722 1 63 . LEU . 52722 1 64 . ARG . 52722 1 65 . VAL . 52722 1 66 . ARG . 52722 1 67 . VAL . 52722 1 68 . SER . 52722 1 69 . PHE . 52722 1 70 . ASP . 52722 1 71 . LYS . 52722 1 72 . ASP . 52722 1 73 . LYS . 52722 1 74 . ARG . 52722 1 75 . THR . 52722 1 76 . LEU . 52722 1 77 . THR . 52722 1 78 . ILE . 52722 1 79 . SER . 52722 1 80 . ASP . 52722 1 81 . ASN . 52722 1 82 . GLY . 52722 1 83 . VAL . 52722 1 84 . GLY . 52722 1 85 . MET . 52722 1 86 . THR . 52722 1 87 . ARG . 52722 1 88 . ASP . 52722 1 89 . GLU . 52722 1 90 . VAL . 52722 1 91 . ILE . 52722 1 92 . ASP . 52722 1 93 . HIS . 52722 1 94 . LEU . 52722 1 95 . GLY . 52722 1 96 . THR . 52722 1 97 . ILE . 52722 1 98 . ALA . 52722 1 99 . LYS . 52722 1 100 . SER . 52722 1 101 . GLY . 52722 1 102 . THR . 52722 1 103 . LYS . 52722 1 104 . SER . 52722 1 105 . PHE . 52722 1 106 . LEU . 52722 1 107 . GLU . 52722 1 108 . SER . 52722 1 109 . LEU . 52722 1 110 . GLY . 52722 1 111 . SER . 52722 1 112 . ASP . 52722 1 113 . GLN . 52722 1 114 . ALA . 52722 1 115 . LYS . 52722 1 116 . ASP . 52722 1 117 . SER . 52722 1 118 . GLN . 52722 1 119 . LEU . 52722 1 120 . ILE . 52722 1 121 . GLY . 52722 1 122 . GLN . 52722 1 123 . PHE . 52722 1 124 . GLY . 52722 1 125 . VAL . 52722 1 126 . GLY . 52722 1 127 . PHE . 52722 1 128 . TYR . 52722 1 129 . SER . 52722 1 130 . ALA . 52722 1 131 . PHE . 52722 1 132 . ILE . 52722 1 133 . VAL . 52722 1 134 . ALA . 52722 1 135 . ASP . 52722 1 136 . LYS . 52722 1 137 . VAL . 52722 1 138 . THR . 52722 1 139 . VAL . 52722 1 140 . ARG . 52722 1 141 . THR . 52722 1 142 . ARG . 52722 1 143 . ALA . 52722 1 144 . ALA . 52722 1 145 . GLY . 52722 1 146 . GLU . 52722 1 147 . LYS . 52722 1 148 . PRO . 52722 1 149 . GLU . 52722 1 150 . ASN . 52722 1 151 . GLY . 52722 1 152 . VAL . 52722 1 153 . PHE . 52722 1 154 . TRP . 52722 1 155 . GLU . 52722 1 156 . SER . 52722 1 157 . ALA . 52722 1 158 . GLY . 52722 1 159 . GLU . 52722 1 160 . GLY . 52722 1 161 . GLU . 52722 1 162 . TYR . 52722 1 163 . THR . 52722 1 164 . VAL . 52722 1 165 . ALA . 52722 1 166 . ASP . 52722 1 167 . ILE . 52722 1 168 . THR . 52722 1 169 . LYS . 52722 1 170 . GLU . 52722 1 171 . ASP . 52722 1 172 . ARG . 52722 1 173 . GLY . 52722 1 174 . THR . 52722 1 175 . GLU . 52722 1 176 . ILE . 52722 1 177 . THR . 52722 1 178 . LEU . 52722 1 179 . HIS . 52722 1 180 . LEU . 52722 1 181 . ARG . 52722 1 182 . GLU . 52722 1 183 . GLY . 52722 1 184 . GLU . 52722 1 185 . ASP . 52722 1 186 . GLU . 52722 1 187 . PHE . 52722 1 188 . LEU . 52722 1 189 . ASP . 52722 1 190 . ASP . 52722 1 191 . TRP . 52722 1 192 . ARG . 52722 1 193 . VAL . 52722 1 194 . ARG . 52722 1 195 . SER . 52722 1 196 . ILE . 52722 1 197 . ILE . 52722 1 198 . SER . 52722 1 199 . LYS . 52722 1 200 . TYR . 52722 1 201 . SER . 52722 1 202 . ASP . 52722 1 203 . HIS . 52722 1 204 . ILE . 52722 1 205 . ALA . 52722 1 206 . LEU . 52722 1 207 . PRO . 52722 1 208 . VAL . 52722 1 209 . GLU . 52722 1 210 . ILE . 52722 1 211 . GLU . 52722 1 212 . LYS . 52722 1 213 . ARG . 52722 1 214 . GLU . 52722 1 215 . GLU . 52722 1 216 . LYS . 52722 1 217 . ASP . 52722 1 218 . GLY . 52722 1 219 . GLU . 52722 1 220 . THR . 52722 1 221 . VAL . 52722 1 222 . ILE . 52722 1 223 . SER . 52722 1 224 . TRP . 52722 1 225 . GLU . 52722 1 226 . LYS . 52722 1 227 . ILE . 52722 1 228 . ASN . 52722 1 229 . LYS . 52722 1 230 . ALA . 52722 1 231 . GLN . 52722 1 232 . ALA . 52722 1 233 . LEU . 52722 1 234 . TRP . 52722 1 235 . THR . 52722 1 236 . ARG . 52722 1 237 . ASN . 52722 1 238 . LYS . 52722 1 239 . SER . 52722 1 240 . GLU . 52722 1 241 . ILE . 52722 1 242 . THR . 52722 1 243 . ASP . 52722 1 244 . GLU . 52722 1 245 . GLU . 52722 1 246 . TYR . 52722 1 247 . LYS . 52722 1 248 . GLU . 52722 1 249 . PHE . 52722 1 250 . TYR . 52722 1 251 . LYS . 52722 1 252 . HIS . 52722 1 253 . ILE . 52722 1 254 . ALA . 52722 1 255 . HIS . 52722 1 256 . ASP . 52722 1 257 . PHE . 52722 1 258 . ASN . 52722 1 259 . ASP . 52722 1 260 . PRO . 52722 1 261 . LEU . 52722 1 262 . THR . 52722 1 263 . TRP . 52722 1 264 . SER . 52722 1 265 . HIS . 52722 1 266 . ASN . 52722 1 267 . ARG . 52722 1 268 . VAL . 52722 1 269 . GLU . 52722 1 270 . GLY . 52722 1 271 . LYS . 52722 1 272 . GLN . 52722 1 273 . GLU . 52722 1 274 . TYR . 52722 1 275 . THR . 52722 1 276 . SER . 52722 1 277 . LEU . 52722 1 278 . LEU . 52722 1 279 . TYR . 52722 1 280 . ILE . 52722 1 281 . PRO . 52722 1 282 . SER . 52722 1 283 . GLN . 52722 1 284 . ALA . 52722 1 285 . PRO . 52722 1 286 . TRP . 52722 1 287 . ASP . 52722 1 288 . MET . 52722 1 289 . TRP . 52722 1 290 . ASN . 52722 1 291 . ARG . 52722 1 292 . ASP . 52722 1 293 . HIS . 52722 1 294 . LYS . 52722 1 295 . HIS . 52722 1 296 . GLY . 52722 1 297 . LEU . 52722 1 298 . LYS . 52722 1 299 . LEU . 52722 1 300 . TYR . 52722 1 301 . VAL . 52722 1 302 . GLN . 52722 1 303 . ARG . 52722 1 304 . VAL . 52722 1 305 . PHE . 52722 1 306 . ILE . 52722 1 307 . MET . 52722 1 308 . ASP . 52722 1 309 . ASP . 52722 1 310 . ALA . 52722 1 311 . GLU . 52722 1 312 . GLN . 52722 1 313 . PHE . 52722 1 314 . MET . 52722 1 315 . PRO . 52722 1 316 . ASN . 52722 1 317 . TYR . 52722 1 318 . LEU . 52722 1 319 . ARG . 52722 1 320 . PHE . 52722 1 321 . VAL . 52722 1 322 . ARG . 52722 1 323 . GLY . 52722 1 324 . LEU . 52722 1 325 . ILE . 52722 1 326 . ASP . 52722 1 327 . SER . 52722 1 328 . SER . 52722 1 329 . ASP . 52722 1 330 . LEU . 52722 1 331 . PRO . 52722 1 332 . LEU . 52722 1 333 . ASN . 52722 1 334 . VAL . 52722 1 335 . SER . 52722 1 336 . ARG . 52722 1 337 . GLU . 52722 1 338 . ILE . 52722 1 339 . LEU . 52722 1 340 . GLN . 52722 1 341 . ASP . 52722 1 342 . SER . 52722 1 343 . THR . 52722 1 344 . VAL . 52722 1 345 . THR . 52722 1 346 . ARG . 52722 1 347 . ASN . 52722 1 348 . LEU . 52722 1 349 . ARG . 52722 1 350 . ASN . 52722 1 351 . ALA . 52722 1 352 . LEU . 52722 1 353 . THR . 52722 1 354 . LYS . 52722 1 355 . ARG . 52722 1 356 . VAL . 52722 1 357 . LEU . 52722 1 358 . GLN . 52722 1 359 . MET . 52722 1 360 . LEU . 52722 1 361 . GLU . 52722 1 362 . LYS . 52722 1 363 . LEU . 52722 1 364 . ALA . 52722 1 365 . LYS . 52722 1 366 . ASP . 52722 1 367 . ASP . 52722 1 368 . ALA . 52722 1 369 . GLU . 52722 1 370 . LYS . 52722 1 371 . TYR . 52722 1 372 . GLN . 52722 1 373 . THR . 52722 1 374 . PHE . 52722 1 375 . TRP . 52722 1 376 . GLN . 52722 1 377 . GLN . 52722 1 378 . PHE . 52722 1 379 . GLY . 52722 1 380 . LEU . 52722 1 381 . VAL . 52722 1 382 . LEU . 52722 1 383 . LYS . 52722 1 384 . GLU . 52722 1 385 . GLY . 52722 1 386 . PRO . 52722 1 387 . ALA . 52722 1 388 . GLU . 52722 1 389 . ASP . 52722 1 390 . PHE . 52722 1 391 . ALA . 52722 1 392 . ASN . 52722 1 393 . GLN . 52722 1 394 . GLU . 52722 1 395 . ALA . 52722 1 396 . ILE . 52722 1 397 . ALA . 52722 1 398 . LYS . 52722 1 399 . LEU . 52722 1 400 . LEU . 52722 1 401 . ARG . 52722 1 402 . PHE . 52722 1 403 . ALA . 52722 1 404 . SER . 52722 1 405 . THR . 52722 1 406 . HIS . 52722 1 407 . THR . 52722 1 408 . ASP . 52722 1 409 . SER . 52722 1 410 . SER . 52722 1 411 . ALA . 52722 1 412 . GLN . 52722 1 413 . THR . 52722 1 414 . VAL . 52722 1 415 . SER . 52722 1 416 . LEU . 52722 1 417 . GLU . 52722 1 418 . ASP . 52722 1 419 . TYR . 52722 1 420 . VAL . 52722 1 421 . SER . 52722 1 422 . ARG . 52722 1 423 . MET . 52722 1 424 . LYS . 52722 1 425 . GLU . 52722 1 426 . GLY . 52722 1 427 . GLN . 52722 1 428 . GLU . 52722 1 429 . LYS . 52722 1 430 . ILE . 52722 1 431 . TYR . 52722 1 432 . TYR . 52722 1 433 . ILE . 52722 1 434 . THR . 52722 1 435 . ALA . 52722 1 436 . ASP . 52722 1 437 . SER . 52722 1 438 . TYR . 52722 1 439 . ALA . 52722 1 440 . ALA . 52722 1 441 . ALA . 52722 1 442 . LYS . 52722 1 443 . SER . 52722 1 444 . SER . 52722 1 445 . PRO . 52722 1 446 . HIS . 52722 1 447 . LEU . 52722 1 448 . GLU . 52722 1 449 . LEU . 52722 1 450 . LEU . 52722 1 451 . ARG . 52722 1 452 . LYS . 52722 1 453 . LYS . 52722 1 454 . GLY . 52722 1 455 . ILE . 52722 1 456 . GLU . 52722 1 457 . VAL . 52722 1 458 . LEU . 52722 1 459 . LEU . 52722 1 460 . LEU . 52722 1 461 . SER . 52722 1 462 . ASP . 52722 1 463 . ARG . 52722 1 464 . ILE . 52722 1 465 . ASP . 52722 1 466 . GLU . 52722 1 467 . TRP . 52722 1 468 . MET . 52722 1 469 . MET . 52722 1 470 . ASN . 52722 1 471 . TYR . 52722 1 472 . LEU . 52722 1 473 . THR . 52722 1 474 . GLU . 52722 1 475 . PHE . 52722 1 476 . ASP . 52722 1 477 . GLY . 52722 1 478 . LYS . 52722 1 479 . PRO . 52722 1 480 . PHE . 52722 1 481 . GLN . 52722 1 482 . SER . 52722 1 483 . VAL . 52722 1 484 . SER . 52722 1 485 . LYS . 52722 1 486 . VAL . 52722 1 487 . ASP . 52722 1 488 . GLU . 52722 1 489 . SER . 52722 1 490 . LEU . 52722 1 491 . GLU . 52722 1 492 . LYS . 52722 1 493 . LEU . 52722 1 494 . ALA . 52722 1 495 . ASP . 52722 1 496 . GLU . 52722 1 497 . VAL . 52722 1 498 . ASP . 52722 1 499 . GLU . 52722 1 500 . SER . 52722 1 501 . ALA . 52722 1 502 . LYS . 52722 1 503 . GLU . 52722 1 504 . ALA . 52722 1 505 . GLU . 52722 1 506 . LYS . 52722 1 507 . ALA . 52722 1 508 . LEU . 52722 1 509 . THR . 52722 1 510 . PRO . 52722 1 511 . PHE . 52722 1 512 . ILE . 52722 1 513 . ASP . 52722 1 514 . ARG . 52722 1 515 . VAL . 52722 1 516 . LYS . 52722 1 517 . ALA . 52722 1 518 . LEU . 52722 1 519 . LEU . 52722 1 520 . GLY . 52722 1 521 . GLU . 52722 1 522 . ARG . 52722 1 523 . VAL . 52722 1 524 . LYS . 52722 1 525 . ASP . 52722 1 526 . VAL . 52722 1 527 . ARG . 52722 1 528 . LEU . 52722 1 529 . THR . 52722 1 530 . HIS . 52722 1 531 . ARG . 52722 1 532 . LEU . 52722 1 533 . THR . 52722 1 534 . ASP . 52722 1 535 . THR . 52722 1 536 . PRO . 52722 1 537 . ALA . 52722 1 538 . ILE . 52722 1 539 . VAL . 52722 1 540 . SER . 52722 1 541 . THR . 52722 1 542 . ASP . 52722 1 543 . ALA . 52722 1 544 . ASP . 52722 1 545 . GLU . 52722 1 546 . MET . 52722 1 547 . SER . 52722 1 548 . THR . 52722 1 549 . GLN . 52722 1 550 . MET . 52722 1 551 . ALA . 52722 1 552 . LYS . 52722 1 553 . LEU . 52722 1 554 . PHE . 52722 1 555 . ALA . 52722 1 556 . ALA . 52722 1 557 . ALA . 52722 1 558 . GLY . 52722 1 559 . GLN . 52722 1 560 . LYS . 52722 1 561 . VAL . 52722 1 562 . PRO . 52722 1 563 . GLU . 52722 1 564 . VAL . 52722 1 565 . LYS . 52722 1 566 . TYR . 52722 1 567 . ILE . 52722 1 568 . PHE . 52722 1 569 . GLU . 52722 1 570 . LEU . 52722 1 571 . ASN . 52722 1 572 . PRO . 52722 1 573 . ASP . 52722 1 574 . HIS . 52722 1 575 . VAL . 52722 1 576 . LEU . 52722 1 577 . VAL . 52722 1 578 . LYS . 52722 1 579 . ARG . 52722 1 580 . ALA . 52722 1 581 . ALA . 52722 1 582 . ASP . 52722 1 583 . THR . 52722 1 584 . GLU . 52722 1 585 . ASP . 52722 1 586 . GLU . 52722 1 587 . ALA . 52722 1 588 . LYS . 52722 1 589 . PHE . 52722 1 590 . SER . 52722 1 591 . GLU . 52722 1 592 . TRP . 52722 1 593 . VAL . 52722 1 594 . GLU . 52722 1 595 . LEU . 52722 1 596 . LEU . 52722 1 597 . LEU . 52722 1 598 . ASP . 52722 1 599 . GLN . 52722 1 600 . ALA . 52722 1 601 . LEU . 52722 1 602 . LEU . 52722 1 603 . ALA . 52722 1 604 . GLU . 52722 1 605 . ARG . 52722 1 606 . GLY . 52722 1 607 . THR . 52722 1 608 . LEU . 52722 1 609 . GLU . 52722 1 610 . ASP . 52722 1 611 . PRO . 52722 1 612 . ASN . 52722 1 613 . LEU . 52722 1 614 . PHE . 52722 1 615 . ILE . 52722 1 616 . ARG . 52722 1 617 . ARG . 52722 1 618 . MET . 52722 1 619 . ASN . 52722 1 620 . GLN . 52722 1 621 . LEU . 52722 1 622 . LEU . 52722 1 623 . VAL . 52722 1 624 . SER . 52722 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 52722 1 . LYS 2 2 52722 1 . GLY 3 3 52722 1 . GLN 4 4 52722 1 . GLU 5 5 52722 1 . THR 6 6 52722 1 . ARG 7 7 52722 1 . GLY 8 8 52722 1 . PHE 9 9 52722 1 . GLN 10 10 52722 1 . SER 11 11 52722 1 . GLU 12 12 52722 1 . VAL 13 13 52722 1 . LYS 14 14 52722 1 . GLN 15 15 52722 1 . LEU 16 16 52722 1 . LEU 17 17 52722 1 . HIS 18 18 52722 1 . LEU 19 19 52722 1 . MET 20 20 52722 1 . ILE 21 21 52722 1 . HIS 22 22 52722 1 . SER 23 23 52722 1 . LEU 24 24 52722 1 . TYR 25 25 52722 1 . SER 26 26 52722 1 . ASN 27 27 52722 1 . LYS 28 28 52722 1 . GLU 29 29 52722 1 . ILE 30 30 52722 1 . PHE 31 31 52722 1 . LEU 32 32 52722 1 . ARG 33 33 52722 1 . GLU 34 34 52722 1 . LEU 35 35 52722 1 . ILE 36 36 52722 1 . SER 37 37 52722 1 . ASN 38 38 52722 1 . ALA 39 39 52722 1 . SER 40 40 52722 1 . ASP 41 41 52722 1 . ALA 42 42 52722 1 . ALA 43 43 52722 1 . ASP 44 44 52722 1 . LYS 45 45 52722 1 . LEU 46 46 52722 1 . ARG 47 47 52722 1 . PHE 48 48 52722 1 . ARG 49 49 52722 1 . ALA 50 50 52722 1 . LEU 51 51 52722 1 . SER 52 52 52722 1 . ASN 53 53 52722 1 . PRO 54 54 52722 1 . ASP 55 55 52722 1 . LEU 56 56 52722 1 . TYR 57 57 52722 1 . GLU 58 58 52722 1 . GLY 59 59 52722 1 . ASP 60 60 52722 1 . GLY 61 61 52722 1 . GLU 62 62 52722 1 . LEU 63 63 52722 1 . ARG 64 64 52722 1 . VAL 65 65 52722 1 . ARG 66 66 52722 1 . VAL 67 67 52722 1 . SER 68 68 52722 1 . PHE 69 69 52722 1 . ASP 70 70 52722 1 . LYS 71 71 52722 1 . ASP 72 72 52722 1 . LYS 73 73 52722 1 . ARG 74 74 52722 1 . THR 75 75 52722 1 . LEU 76 76 52722 1 . THR 77 77 52722 1 . ILE 78 78 52722 1 . SER 79 79 52722 1 . ASP 80 80 52722 1 . ASN 81 81 52722 1 . GLY 82 82 52722 1 . VAL 83 83 52722 1 . GLY 84 84 52722 1 . MET 85 85 52722 1 . THR 86 86 52722 1 . ARG 87 87 52722 1 . ASP 88 88 52722 1 . GLU 89 89 52722 1 . VAL 90 90 52722 1 . ILE 91 91 52722 1 . ASP 92 92 52722 1 . HIS 93 93 52722 1 . LEU 94 94 52722 1 . GLY 95 95 52722 1 . THR 96 96 52722 1 . ILE 97 97 52722 1 . ALA 98 98 52722 1 . LYS 99 99 52722 1 . SER 100 100 52722 1 . GLY 101 101 52722 1 . THR 102 102 52722 1 . LYS 103 103 52722 1 . SER 104 104 52722 1 . PHE 105 105 52722 1 . LEU 106 106 52722 1 . GLU 107 107 52722 1 . SER 108 108 52722 1 . LEU 109 109 52722 1 . GLY 110 110 52722 1 . SER 111 111 52722 1 . ASP 112 112 52722 1 . GLN 113 113 52722 1 . ALA 114 114 52722 1 . LYS 115 115 52722 1 . ASP 116 116 52722 1 . SER 117 117 52722 1 . GLN 118 118 52722 1 . LEU 119 119 52722 1 . ILE 120 120 52722 1 . GLY 121 121 52722 1 . GLN 122 122 52722 1 . PHE 123 123 52722 1 . GLY 124 124 52722 1 . VAL 125 125 52722 1 . GLY 126 126 52722 1 . PHE 127 127 52722 1 . TYR 128 128 52722 1 . SER 129 129 52722 1 . ALA 130 130 52722 1 . PHE 131 131 52722 1 . ILE 132 132 52722 1 . VAL 133 133 52722 1 . ALA 134 134 52722 1 . ASP 135 135 52722 1 . LYS 136 136 52722 1 . VAL 137 137 52722 1 . THR 138 138 52722 1 . VAL 139 139 52722 1 . ARG 140 140 52722 1 . THR 141 141 52722 1 . ARG 142 142 52722 1 . ALA 143 143 52722 1 . ALA 144 144 52722 1 . GLY 145 145 52722 1 . GLU 146 146 52722 1 . LYS 147 147 52722 1 . PRO 148 148 52722 1 . GLU 149 149 52722 1 . ASN 150 150 52722 1 . GLY 151 151 52722 1 . VAL 152 152 52722 1 . PHE 153 153 52722 1 . TRP 154 154 52722 1 . GLU 155 155 52722 1 . SER 156 156 52722 1 . ALA 157 157 52722 1 . GLY 158 158 52722 1 . GLU 159 159 52722 1 . GLY 160 160 52722 1 . GLU 161 161 52722 1 . TYR 162 162 52722 1 . THR 163 163 52722 1 . VAL 164 164 52722 1 . ALA 165 165 52722 1 . ASP 166 166 52722 1 . ILE 167 167 52722 1 . THR 168 168 52722 1 . LYS 169 169 52722 1 . GLU 170 170 52722 1 . ASP 171 171 52722 1 . ARG 172 172 52722 1 . GLY 173 173 52722 1 . THR 174 174 52722 1 . GLU 175 175 52722 1 . ILE 176 176 52722 1 . THR 177 177 52722 1 . LEU 178 178 52722 1 . HIS 179 179 52722 1 . LEU 180 180 52722 1 . ARG 181 181 52722 1 . GLU 182 182 52722 1 . GLY 183 183 52722 1 . GLU 184 184 52722 1 . ASP 185 185 52722 1 . GLU 186 186 52722 1 . PHE 187 187 52722 1 . LEU 188 188 52722 1 . ASP 189 189 52722 1 . ASP 190 190 52722 1 . TRP 191 191 52722 1 . ARG 192 192 52722 1 . VAL 193 193 52722 1 . ARG 194 194 52722 1 . SER 195 195 52722 1 . ILE 196 196 52722 1 . ILE 197 197 52722 1 . SER 198 198 52722 1 . LYS 199 199 52722 1 . TYR 200 200 52722 1 . SER 201 201 52722 1 . ASP 202 202 52722 1 . HIS 203 203 52722 1 . ILE 204 204 52722 1 . ALA 205 205 52722 1 . LEU 206 206 52722 1 . PRO 207 207 52722 1 . VAL 208 208 52722 1 . GLU 209 209 52722 1 . ILE 210 210 52722 1 . GLU 211 211 52722 1 . LYS 212 212 52722 1 . ARG 213 213 52722 1 . GLU 214 214 52722 1 . GLU 215 215 52722 1 . LYS 216 216 52722 1 . ASP 217 217 52722 1 . GLY 218 218 52722 1 . GLU 219 219 52722 1 . THR 220 220 52722 1 . VAL 221 221 52722 1 . ILE 222 222 52722 1 . SER 223 223 52722 1 . TRP 224 224 52722 1 . GLU 225 225 52722 1 . LYS 226 226 52722 1 . ILE 227 227 52722 1 . ASN 228 228 52722 1 . LYS 229 229 52722 1 . ALA 230 230 52722 1 . GLN 231 231 52722 1 . ALA 232 232 52722 1 . LEU 233 233 52722 1 . TRP 234 234 52722 1 . THR 235 235 52722 1 . ARG 236 236 52722 1 . ASN 237 237 52722 1 . LYS 238 238 52722 1 . SER 239 239 52722 1 . GLU 240 240 52722 1 . ILE 241 241 52722 1 . THR 242 242 52722 1 . ASP 243 243 52722 1 . GLU 244 244 52722 1 . GLU 245 245 52722 1 . TYR 246 246 52722 1 . LYS 247 247 52722 1 . GLU 248 248 52722 1 . PHE 249 249 52722 1 . TYR 250 250 52722 1 . LYS 251 251 52722 1 . HIS 252 252 52722 1 . ILE 253 253 52722 1 . ALA 254 254 52722 1 . HIS 255 255 52722 1 . ASP 256 256 52722 1 . PHE 257 257 52722 1 . ASN 258 258 52722 1 . ASP 259 259 52722 1 . PRO 260 260 52722 1 . LEU 261 261 52722 1 . THR 262 262 52722 1 . TRP 263 263 52722 1 . SER 264 264 52722 1 . HIS 265 265 52722 1 . ASN 266 266 52722 1 . ARG 267 267 52722 1 . VAL 268 268 52722 1 . GLU 269 269 52722 1 . GLY 270 270 52722 1 . LYS 271 271 52722 1 . GLN 272 272 52722 1 . GLU 273 273 52722 1 . TYR 274 274 52722 1 . THR 275 275 52722 1 . SER 276 276 52722 1 . LEU 277 277 52722 1 . LEU 278 278 52722 1 . TYR 279 279 52722 1 . ILE 280 280 52722 1 . PRO 281 281 52722 1 . SER 282 282 52722 1 . GLN 283 283 52722 1 . ALA 284 284 52722 1 . PRO 285 285 52722 1 . TRP 286 286 52722 1 . ASP 287 287 52722 1 . MET 288 288 52722 1 . TRP 289 289 52722 1 . ASN 290 290 52722 1 . ARG 291 291 52722 1 . ASP 292 292 52722 1 . HIS 293 293 52722 1 . LYS 294 294 52722 1 . HIS 295 295 52722 1 . GLY 296 296 52722 1 . LEU 297 297 52722 1 . LYS 298 298 52722 1 . LEU 299 299 52722 1 . TYR 300 300 52722 1 . VAL 301 301 52722 1 . GLN 302 302 52722 1 . ARG 303 303 52722 1 . VAL 304 304 52722 1 . PHE 305 305 52722 1 . ILE 306 306 52722 1 . MET 307 307 52722 1 . ASP 308 308 52722 1 . ASP 309 309 52722 1 . ALA 310 310 52722 1 . GLU 311 311 52722 1 . GLN 312 312 52722 1 . PHE 313 313 52722 1 . MET 314 314 52722 1 . PRO 315 315 52722 1 . ASN 316 316 52722 1 . TYR 317 317 52722 1 . LEU 318 318 52722 1 . ARG 319 319 52722 1 . PHE 320 320 52722 1 . VAL 321 321 52722 1 . ARG 322 322 52722 1 . GLY 323 323 52722 1 . LEU 324 324 52722 1 . ILE 325 325 52722 1 . ASP 326 326 52722 1 . SER 327 327 52722 1 . SER 328 328 52722 1 . ASP 329 329 52722 1 . LEU 330 330 52722 1 . PRO 331 331 52722 1 . LEU 332 332 52722 1 . ASN 333 333 52722 1 . VAL 334 334 52722 1 . SER 335 335 52722 1 . ARG 336 336 52722 1 . GLU 337 337 52722 1 . ILE 338 338 52722 1 . LEU 339 339 52722 1 . GLN 340 340 52722 1 . ASP 341 341 52722 1 . SER 342 342 52722 1 . THR 343 343 52722 1 . VAL 344 344 52722 1 . THR 345 345 52722 1 . ARG 346 346 52722 1 . ASN 347 347 52722 1 . LEU 348 348 52722 1 . ARG 349 349 52722 1 . ASN 350 350 52722 1 . ALA 351 351 52722 1 . LEU 352 352 52722 1 . THR 353 353 52722 1 . LYS 354 354 52722 1 . ARG 355 355 52722 1 . VAL 356 356 52722 1 . LEU 357 357 52722 1 . GLN 358 358 52722 1 . MET 359 359 52722 1 . LEU 360 360 52722 1 . GLU 361 361 52722 1 . LYS 362 362 52722 1 . LEU 363 363 52722 1 . ALA 364 364 52722 1 . LYS 365 365 52722 1 . ASP 366 366 52722 1 . ASP 367 367 52722 1 . ALA 368 368 52722 1 . GLU 369 369 52722 1 . LYS 370 370 52722 1 . TYR 371 371 52722 1 . GLN 372 372 52722 1 . THR 373 373 52722 1 . PHE 374 374 52722 1 . TRP 375 375 52722 1 . GLN 376 376 52722 1 . GLN 377 377 52722 1 . PHE 378 378 52722 1 . GLY 379 379 52722 1 . LEU 380 380 52722 1 . VAL 381 381 52722 1 . LEU 382 382 52722 1 . LYS 383 383 52722 1 . GLU 384 384 52722 1 . GLY 385 385 52722 1 . PRO 386 386 52722 1 . ALA 387 387 52722 1 . GLU 388 388 52722 1 . ASP 389 389 52722 1 . PHE 390 390 52722 1 . ALA 391 391 52722 1 . ASN 392 392 52722 1 . GLN 393 393 52722 1 . GLU 394 394 52722 1 . ALA 395 395 52722 1 . ILE 396 396 52722 1 . ALA 397 397 52722 1 . LYS 398 398 52722 1 . LEU 399 399 52722 1 . LEU 400 400 52722 1 . ARG 401 401 52722 1 . PHE 402 402 52722 1 . ALA 403 403 52722 1 . SER 404 404 52722 1 . THR 405 405 52722 1 . HIS 406 406 52722 1 . THR 407 407 52722 1 . ASP 408 408 52722 1 . SER 409 409 52722 1 . SER 410 410 52722 1 . ALA 411 411 52722 1 . GLN 412 412 52722 1 . THR 413 413 52722 1 . VAL 414 414 52722 1 . SER 415 415 52722 1 . LEU 416 416 52722 1 . GLU 417 417 52722 1 . ASP 418 418 52722 1 . TYR 419 419 52722 1 . VAL 420 420 52722 1 . SER 421 421 52722 1 . ARG 422 422 52722 1 . MET 423 423 52722 1 . LYS 424 424 52722 1 . GLU 425 425 52722 1 . GLY 426 426 52722 1 . GLN 427 427 52722 1 . GLU 428 428 52722 1 . LYS 429 429 52722 1 . ILE 430 430 52722 1 . TYR 431 431 52722 1 . TYR 432 432 52722 1 . ILE 433 433 52722 1 . THR 434 434 52722 1 . ALA 435 435 52722 1 . ASP 436 436 52722 1 . SER 437 437 52722 1 . TYR 438 438 52722 1 . ALA 439 439 52722 1 . ALA 440 440 52722 1 . ALA 441 441 52722 1 . LYS 442 442 52722 1 . SER 443 443 52722 1 . SER 444 444 52722 1 . PRO 445 445 52722 1 . HIS 446 446 52722 1 . LEU 447 447 52722 1 . GLU 448 448 52722 1 . LEU 449 449 52722 1 . LEU 450 450 52722 1 . ARG 451 451 52722 1 . LYS 452 452 52722 1 . LYS 453 453 52722 1 . GLY 454 454 52722 1 . ILE 455 455 52722 1 . GLU 456 456 52722 1 . VAL 457 457 52722 1 . LEU 458 458 52722 1 . LEU 459 459 52722 1 . LEU 460 460 52722 1 . SER 461 461 52722 1 . ASP 462 462 52722 1 . ARG 463 463 52722 1 . ILE 464 464 52722 1 . ASP 465 465 52722 1 . GLU 466 466 52722 1 . TRP 467 467 52722 1 . MET 468 468 52722 1 . MET 469 469 52722 1 . ASN 470 470 52722 1 . TYR 471 471 52722 1 . LEU 472 472 52722 1 . THR 473 473 52722 1 . GLU 474 474 52722 1 . PHE 475 475 52722 1 . ASP 476 476 52722 1 . GLY 477 477 52722 1 . LYS 478 478 52722 1 . PRO 479 479 52722 1 . PHE 480 480 52722 1 . GLN 481 481 52722 1 . SER 482 482 52722 1 . VAL 483 483 52722 1 . SER 484 484 52722 1 . LYS 485 485 52722 1 . VAL 486 486 52722 1 . ASP 487 487 52722 1 . GLU 488 488 52722 1 . SER 489 489 52722 1 . LEU 490 490 52722 1 . GLU 491 491 52722 1 . LYS 492 492 52722 1 . LEU 493 493 52722 1 . ALA 494 494 52722 1 . ASP 495 495 52722 1 . GLU 496 496 52722 1 . VAL 497 497 52722 1 . ASP 498 498 52722 1 . GLU 499 499 52722 1 . SER 500 500 52722 1 . ALA 501 501 52722 1 . LYS 502 502 52722 1 . GLU 503 503 52722 1 . ALA 504 504 52722 1 . GLU 505 505 52722 1 . LYS 506 506 52722 1 . ALA 507 507 52722 1 . LEU 508 508 52722 1 . THR 509 509 52722 1 . PRO 510 510 52722 1 . PHE 511 511 52722 1 . ILE 512 512 52722 1 . ASP 513 513 52722 1 . ARG 514 514 52722 1 . VAL 515 515 52722 1 . LYS 516 516 52722 1 . ALA 517 517 52722 1 . LEU 518 518 52722 1 . LEU 519 519 52722 1 . GLY 520 520 52722 1 . GLU 521 521 52722 1 . ARG 522 522 52722 1 . VAL 523 523 52722 1 . LYS 524 524 52722 1 . ASP 525 525 52722 1 . VAL 526 526 52722 1 . ARG 527 527 52722 1 . LEU 528 528 52722 1 . THR 529 529 52722 1 . HIS 530 530 52722 1 . ARG 531 531 52722 1 . LEU 532 532 52722 1 . THR 533 533 52722 1 . ASP 534 534 52722 1 . THR 535 535 52722 1 . PRO 536 536 52722 1 . ALA 537 537 52722 1 . ILE 538 538 52722 1 . VAL 539 539 52722 1 . SER 540 540 52722 1 . THR 541 541 52722 1 . ASP 542 542 52722 1 . ALA 543 543 52722 1 . ASP 544 544 52722 1 . GLU 545 545 52722 1 . MET 546 546 52722 1 . SER 547 547 52722 1 . THR 548 548 52722 1 . GLN 549 549 52722 1 . MET 550 550 52722 1 . ALA 551 551 52722 1 . LYS 552 552 52722 1 . LEU 553 553 52722 1 . PHE 554 554 52722 1 . ALA 555 555 52722 1 . ALA 556 556 52722 1 . ALA 557 557 52722 1 . GLY 558 558 52722 1 . GLN 559 559 52722 1 . LYS 560 560 52722 1 . VAL 561 561 52722 1 . PRO 562 562 52722 1 . GLU 563 563 52722 1 . VAL 564 564 52722 1 . LYS 565 565 52722 1 . TYR 566 566 52722 1 . ILE 567 567 52722 1 . PHE 568 568 52722 1 . GLU 569 569 52722 1 . LEU 570 570 52722 1 . ASN 571 571 52722 1 . PRO 572 572 52722 1 . ASP 573 573 52722 1 . HIS 574 574 52722 1 . VAL 575 575 52722 1 . LEU 576 576 52722 1 . VAL 577 577 52722 1 . LYS 578 578 52722 1 . ARG 579 579 52722 1 . ALA 580 580 52722 1 . ALA 581 581 52722 1 . ASP 582 582 52722 1 . THR 583 583 52722 1 . GLU 584 584 52722 1 . ASP 585 585 52722 1 . GLU 586 586 52722 1 . ALA 587 587 52722 1 . LYS 588 588 52722 1 . PHE 589 589 52722 1 . SER 590 590 52722 1 . GLU 591 591 52722 1 . TRP 592 592 52722 1 . VAL 593 593 52722 1 . GLU 594 594 52722 1 . LEU 595 595 52722 1 . LEU 596 596 52722 1 . LEU 597 597 52722 1 . ASP 598 598 52722 1 . GLN 599 599 52722 1 . ALA 600 600 52722 1 . LEU 601 601 52722 1 . LEU 602 602 52722 1 . ALA 603 603 52722 1 . GLU 604 604 52722 1 . ARG 605 605 52722 1 . GLY 606 606 52722 1 . THR 607 607 52722 1 . LEU 608 608 52722 1 . GLU 609 609 52722 1 . ASP 610 610 52722 1 . PRO 611 611 52722 1 . ASN 612 612 52722 1 . LEU 613 613 52722 1 . PHE 614 614 52722 1 . ILE 615 615 52722 1 . ARG 616 616 52722 1 . ARG 617 617 52722 1 . MET 618 618 52722 1 . ASN 619 619 52722 1 . GLN 620 620 52722 1 . LEU 621 621 52722 1 . LEU 622 622 52722 1 . VAL 623 623 52722 1 . SER 624 624 52722 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 52722 _Entity.ID 2 _Entity.BMRB_code ADP _Entity.Name entity_ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 427.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 52722 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 52722 2 ADP 'Three letter code' 52722 2 stop_ 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 1 ADP $chem_comp_ADP 52722 2 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 52722 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52722 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 52722 _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' . . . Escherichia coli . . . plasmid . . pET-28a . . . 52722 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 52722 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 52722 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 52722 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 52722 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 52722 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 52722 ADP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 52722 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52722 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52722 ADP "adenosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 52722 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 N N . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 52722 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 52722 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 52722 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 52722 ADP PA PA PA PA . P . . S 0 . . . 1 N N . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 52722 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 52722 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 52722 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 52722 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 52722 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 52722 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 52722 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 52722 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 52722 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 52722 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 52722 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 52722 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 52722 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 52722 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 52722 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 52722 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 52722 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 52722 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 52722 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 52722 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 52722 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 52722 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 52722 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 52722 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 N N . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 52722 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 52722 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 52722 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 52722 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 52722 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 52722 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 52722 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 52722 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 52722 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 52722 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 52722 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 N N . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 52722 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 N N . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 52722 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 52722 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B N N 1 . 52722 ADP 2 . SING PB O2B N N 2 . 52722 ADP 3 . SING PB O3B N N 3 . 52722 ADP 4 . SING PB O3A N N 4 . 52722 ADP 5 . SING O2B HOB2 N N 5 . 52722 ADP 6 . SING O3B HOB3 N N 6 . 52722 ADP 7 . DOUB PA O1A N N 7 . 52722 ADP 8 . SING PA O2A N N 8 . 52722 ADP 9 . SING PA O3A N N 9 . 52722 ADP 10 . SING PA O5' N N 10 . 52722 ADP 11 . SING O2A HOA2 N N 11 . 52722 ADP 12 . SING O5' C5' N N 12 . 52722 ADP 13 . SING C5' C4' N N 13 . 52722 ADP 14 . SING C5' H5'1 N N 14 . 52722 ADP 15 . SING C5' H5'2 N N 15 . 52722 ADP 16 . SING C4' O4' N N 16 . 52722 ADP 17 . SING C4' C3' N N 17 . 52722 ADP 18 . SING C4' H4' N N 18 . 52722 ADP 19 . SING O4' C1' N N 19 . 52722 ADP 20 . SING C3' O3' N N 20 . 52722 ADP 21 . SING C3' C2' N N 21 . 52722 ADP 22 . SING C3' H3' N N 22 . 52722 ADP 23 . SING O3' HO3' N N 23 . 52722 ADP 24 . SING C2' O2' N N 24 . 52722 ADP 25 . SING C2' C1' N N 25 . 52722 ADP 26 . SING C2' H2' N N 26 . 52722 ADP 27 . SING O2' HO2' N N 27 . 52722 ADP 28 . SING C1' N9 N N 28 . 52722 ADP 29 . SING C1' H1' N N 29 . 52722 ADP 30 . SING N9 C8 Y N 30 . 52722 ADP 31 . SING N9 C4 Y N 31 . 52722 ADP 32 . DOUB C8 N7 Y N 32 . 52722 ADP 33 . SING C8 H8 N N 33 . 52722 ADP 34 . SING N7 C5 Y N 34 . 52722 ADP 35 . SING C5 C6 Y N 35 . 52722 ADP 36 . DOUB C5 C4 Y N 36 . 52722 ADP 37 . SING C6 N6 N N 37 . 52722 ADP 38 . DOUB C6 N1 Y N 38 . 52722 ADP 39 . SING N6 HN61 N N 39 . 52722 ADP 40 . SING N6 HN62 N N 40 . 52722 ADP 41 . SING N1 C2 Y N 41 . 52722 ADP 42 . DOUB C2 N3 Y N 42 . 52722 ADP 43 . SING C2 H2 N N 43 . 52722 ADP 44 . SING N3 C4 Y N 44 . 52722 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52722 _Sample.ID 1 _Sample.Name 'The ADP-bound state of E coli Hsp90' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'The ADP-bound state of E coli Hsp90' '[U-2H, Ala- 13CH3; Met- 13CH3; Ile-d1- 13CH3; Leu, Val- 13CH3/ 13CH3; Thr- 13CH3]' . . 1 $entity_1 . . 500 . . uM . . . . 52722 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 52722 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'The ADP-bound state of E coli Hsp90' _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' 100 . mM 52722 1 pH 7.0 . pH 52722 1 pressure 1 . atm 52722 1 temperature 310 . K 52722 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52722 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52722 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52722 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52722 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52722 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 850 AVANCE III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 52722 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52722 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 52722 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'The ADP-bound state of E coli Hsp90' _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 water 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . 52722 1 H 1 water 'methylene protons' . . . . ppm 0 external direct 1 . . . . . 52722 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 52722 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The ADP-bound state of E coli Hsp90' _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' . . . 52722 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52722 1 2 $software_2 . . 52722 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 6 6 THR HG21 H 1 1.1675 0.0000 . 1 . . . . . 6 THR HG21 . 52722 1 2 . 1 . 1 6 6 THR HG22 H 1 1.1675 0.0000 . 1 . . . . . 6 THR HG21 . 52722 1 3 . 1 . 1 6 6 THR HG23 H 1 1.1675 0.0000 . 1 . . . . . 6 THR HG21 . 52722 1 4 . 1 . 1 6 6 THR CG2 C 13 21.7634 0.0000 . 1 . . . . . 6 THR CG2 . 52722 1 5 . 1 . 1 13 13 VAL HG11 H 1 0.8877 0.0000 . 1 . . . . . 13 VAL HG11 . 52722 1 6 . 1 . 1 13 13 VAL HG12 H 1 0.8877 0.0000 . 1 . . . . . 13 VAL HG11 . 52722 1 7 . 1 . 1 13 13 VAL HG13 H 1 0.8877 0.0000 . 1 . . . . . 13 VAL HG11 . 52722 1 8 . 1 . 1 13 13 VAL HG21 H 1 0.3384 0.0000 . 1 . . . . . 13 VAL HG21 . 52722 1 9 . 1 . 1 13 13 VAL HG22 H 1 0.3384 0.0000 . 1 . . . . . 13 VAL HG21 . 52722 1 10 . 1 . 1 13 13 VAL HG23 H 1 0.3384 0.0000 . 1 . . . . . 13 VAL HG21 . 52722 1 11 . 1 . 1 13 13 VAL CG1 C 13 22.9653 0.0000 . 1 . . . . . 13 VAL CG1 . 52722 1 12 . 1 . 1 13 13 VAL CG2 C 13 20.9900 0.0000 . 1 . . . . . 13 VAL CG2 . 52722 1 13 . 1 . 1 16 16 LEU HD21 H 1 0.4174 0.0000 . 1 . . . . . 16 LEU HD21 . 52722 1 14 . 1 . 1 16 16 LEU HD22 H 1 0.4174 0.0000 . 1 . . . . . 16 LEU HD21 . 52722 1 15 . 1 . 1 16 16 LEU HD23 H 1 0.4174 0.0000 . 1 . . . . . 16 LEU HD21 . 52722 1 16 . 1 . 1 16 16 LEU CD2 C 13 24.7367 0.0000 . 1 . . . . . 16 LEU CD2 . 52722 1 17 . 1 . 1 20 20 MET HE1 H 1 2.0195 0.0000 . 1 . . . . . 20 MET HE1 . 52722 1 18 . 1 . 1 20 20 MET HE2 H 1 2.0195 0.0000 . 1 . . . . . 20 MET HE1 . 52722 1 19 . 1 . 1 20 20 MET HE3 H 1 2.0195 0.0000 . 1 . . . . . 20 MET HE1 . 52722 1 20 . 1 . 1 20 20 MET CE C 13 17.3075 0.0000 . 1 . . . . . 20 MET CE . 52722 1 21 . 1 . 1 21 21 ILE HD11 H 1 0.7485 0.0000 . 1 . . . . . 21 ILE HD11 . 52722 1 22 . 1 . 1 21 21 ILE HD12 H 1 0.7485 0.0000 . 1 . . . . . 21 ILE HD11 . 52722 1 23 . 1 . 1 21 21 ILE HD13 H 1 0.7485 0.0000 . 1 . . . . . 21 ILE HD11 . 52722 1 24 . 1 . 1 21 21 ILE CD1 C 13 13.0725 0.0000 . 1 . . . . . 21 ILE CD1 . 52722 1 25 . 1 . 1 24 24 LEU HD11 H 1 0.8441 0.0000 . 1 . . . . . 24 LEU HD11 . 52722 1 26 . 1 . 1 24 24 LEU HD12 H 1 0.8441 0.0000 . 1 . . . . . 24 LEU HD11 . 52722 1 27 . 1 . 1 24 24 LEU HD13 H 1 0.8441 0.0000 . 1 . . . . . 24 LEU HD11 . 52722 1 28 . 1 . 1 24 24 LEU HD21 H 1 0.7859 0.0000 . 1 . . . . . 24 LEU HD21 . 52722 1 29 . 1 . 1 24 24 LEU HD22 H 1 0.7859 0.0000 . 1 . . . . . 24 LEU HD21 . 52722 1 30 . 1 . 1 24 24 LEU HD23 H 1 0.7859 0.0000 . 1 . . . . . 24 LEU HD21 . 52722 1 31 . 1 . 1 24 24 LEU CD1 C 13 25.4651 0.0000 . 1 . . . . . 24 LEU CD1 . 52722 1 32 . 1 . 1 24 24 LEU CD2 C 13 23.4542 0.0000 . 1 . . . . . 24 LEU CD2 . 52722 1 33 . 1 . 1 30 30 ILE HD11 H 1 0.8005 0.0000 . 1 . . . . . 30 ILE HD11 . 52722 1 34 . 1 . 1 30 30 ILE HD12 H 1 0.8005 0.0000 . 1 . . . . . 30 ILE HD11 . 52722 1 35 . 1 . 1 30 30 ILE HD13 H 1 0.8005 0.0000 . 1 . . . . . 30 ILE HD11 . 52722 1 36 . 1 . 1 30 30 ILE CD1 C 13 13.4759 0.0000 . 1 . . . . . 30 ILE CD1 . 52722 1 37 . 1 . 1 32 32 LEU HD11 H 1 0.5670 0.0000 . 1 . . . . . 32 LEU HD11 . 52722 1 38 . 1 . 1 32 32 LEU HD12 H 1 0.5670 0.0000 . 1 . . . . . 32 LEU HD11 . 52722 1 39 . 1 . 1 32 32 LEU HD13 H 1 0.5670 0.0000 . 1 . . . . . 32 LEU HD11 . 52722 1 40 . 1 . 1 32 32 LEU HD21 H 1 0.8067 0.0000 . 1 . . . . . 32 LEU HD21 . 52722 1 41 . 1 . 1 32 32 LEU HD22 H 1 0.8067 0.0000 . 1 . . . . . 32 LEU HD21 . 52722 1 42 . 1 . 1 32 32 LEU HD23 H 1 0.8067 0.0000 . 1 . . . . . 32 LEU HD21 . 52722 1 43 . 1 . 1 32 32 LEU CD1 C 13 24.2811 0.0000 . 1 . . . . . 32 LEU CD1 . 52722 1 44 . 1 . 1 32 32 LEU CD2 C 13 25.6293 0.0000 . 1 . . . . . 32 LEU CD2 . 52722 1 45 . 1 . 1 35 35 LEU HD11 H 1 0.9323 0.0000 . 1 . . . . . 35 LEU HD11 . 52722 1 46 . 1 . 1 35 35 LEU HD12 H 1 0.9323 0.0000 . 1 . . . . . 35 LEU HD11 . 52722 1 47 . 1 . 1 35 35 LEU HD13 H 1 0.9323 0.0000 . 1 . . . . . 35 LEU HD11 . 52722 1 48 . 1 . 1 35 35 LEU CD1 C 13 26.4019 0.0000 . 1 . . . . . 35 LEU CD1 . 52722 1 49 . 1 . 1 36 36 ILE HD11 H 1 0.6665 0.0000 . 1 . . . . . 36 ILE HD11 . 52722 1 50 . 1 . 1 36 36 ILE HD12 H 1 0.6665 0.0000 . 1 . . . . . 36 ILE HD11 . 52722 1 51 . 1 . 1 36 36 ILE HD13 H 1 0.6665 0.0000 . 1 . . . . . 36 ILE HD11 . 52722 1 52 . 1 . 1 36 36 ILE CD1 C 13 12.9835 0.0000 . 1 . . . . . 36 ILE CD1 . 52722 1 53 . 1 . 1 39 39 ALA HB1 H 1 1.4588 0.0000 . 1 . . . . . 39 ALA HB1 . 52722 1 54 . 1 . 1 39 39 ALA HB2 H 1 1.4588 0.0000 . 1 . . . . . 39 ALA HB1 . 52722 1 55 . 1 . 1 39 39 ALA HB3 H 1 1.4588 0.0000 . 1 . . . . . 39 ALA HB1 . 52722 1 56 . 1 . 1 39 39 ALA CB C 13 18.2305 0.0000 . 1 . . . . . 39 ALA CB . 52722 1 57 . 1 . 1 42 42 ALA HB1 H 1 1.6032 0.0000 . 1 . . . . . 42 ALA HB1 . 52722 1 58 . 1 . 1 42 42 ALA HB2 H 1 1.6032 0.0000 . 1 . . . . . 42 ALA HB1 . 52722 1 59 . 1 . 1 42 42 ALA HB3 H 1 1.6032 0.0000 . 1 . . . . . 42 ALA HB1 . 52722 1 60 . 1 . 1 42 42 ALA CB C 13 18.7487 0.0000 . 1 . . . . . 42 ALA CB . 52722 1 61 . 1 . 1 43 43 ALA HB1 H 1 1.6527 0.0000 . 1 . . . . . 43 ALA HB1 . 52722 1 62 . 1 . 1 43 43 ALA HB2 H 1 1.6527 0.0000 . 1 . . . . . 43 ALA HB1 . 52722 1 63 . 1 . 1 43 43 ALA HB3 H 1 1.6527 0.0000 . 1 . . . . . 43 ALA HB1 . 52722 1 64 . 1 . 1 43 43 ALA CB C 13 19.4803 0.0000 . 1 . . . . . 43 ALA CB . 52722 1 65 . 1 . 1 46 46 LEU HD11 H 1 0.9725 0.0000 . 1 . . . . . 46 LEU HD11 . 52722 1 66 . 1 . 1 46 46 LEU HD12 H 1 0.9725 0.0000 . 1 . . . . . 46 LEU HD11 . 52722 1 67 . 1 . 1 46 46 LEU HD13 H 1 0.9725 0.0000 . 1 . . . . . 46 LEU HD11 . 52722 1 68 . 1 . 1 46 46 LEU CD1 C 13 28.0924 0.0000 . 1 . . . . . 46 LEU CD1 . 52722 1 69 . 1 . 1 56 56 LEU HD11 H 1 0.6766 0.0000 . 1 . . . . . 56 LEU HD11 . 52722 1 70 . 1 . 1 56 56 LEU HD12 H 1 0.6766 0.0000 . 1 . . . . . 56 LEU HD11 . 52722 1 71 . 1 . 1 56 56 LEU HD13 H 1 0.6766 0.0000 . 1 . . . . . 56 LEU HD11 . 52722 1 72 . 1 . 1 56 56 LEU HD21 H 1 0.6595 0.0000 . 1 . . . . . 56 LEU HD21 . 52722 1 73 . 1 . 1 56 56 LEU HD22 H 1 0.6595 0.0000 . 1 . . . . . 56 LEU HD21 . 52722 1 74 . 1 . 1 56 56 LEU HD23 H 1 0.6595 0.0000 . 1 . . . . . 56 LEU HD21 . 52722 1 75 . 1 . 1 56 56 LEU CD1 C 13 26.0423 0.0000 . 1 . . . . . 56 LEU CD1 . 52722 1 76 . 1 . 1 56 56 LEU CD2 C 13 21.6334 0.0000 . 1 . . . . . 56 LEU CD2 . 52722 1 77 . 1 . 1 63 63 LEU HD11 H 1 1.0804 0.0000 . 1 . . . . . 63 LEU HD11 . 52722 1 78 . 1 . 1 63 63 LEU HD12 H 1 1.0804 0.0000 . 1 . . . . . 63 LEU HD11 . 52722 1 79 . 1 . 1 63 63 LEU HD13 H 1 1.0804 0.0000 . 1 . . . . . 63 LEU HD11 . 52722 1 80 . 1 . 1 63 63 LEU CD1 C 13 27.1227 0.0000 . 1 . . . . . 63 LEU CD1 . 52722 1 81 . 1 . 1 67 67 VAL HG11 H 1 1.0492 0.0000 . 1 . . . . . 67 VAL HG11 . 52722 1 82 . 1 . 1 67 67 VAL HG12 H 1 1.0492 0.0000 . 1 . . . . . 67 VAL HG11 . 52722 1 83 . 1 . 1 67 67 VAL HG13 H 1 1.0492 0.0000 . 1 . . . . . 67 VAL HG11 . 52722 1 84 . 1 . 1 67 67 VAL CG1 C 13 21.6716 0.0000 . 1 . . . . . 67 VAL CG1 . 52722 1 85 . 1 . 1 76 76 LEU HD11 H 1 0.9288 0.0000 . 1 . . . . . 76 LEU HD11 . 52722 1 86 . 1 . 1 76 76 LEU HD12 H 1 0.9288 0.0000 . 1 . . . . . 76 LEU HD11 . 52722 1 87 . 1 . 1 76 76 LEU HD13 H 1 0.9288 0.0000 . 1 . . . . . 76 LEU HD11 . 52722 1 88 . 1 . 1 76 76 LEU HD21 H 1 1.1244 0.0000 . 1 . . . . . 76 LEU HD21 . 52722 1 89 . 1 . 1 76 76 LEU HD22 H 1 1.1244 0.0000 . 1 . . . . . 76 LEU HD21 . 52722 1 90 . 1 . 1 76 76 LEU HD23 H 1 1.1244 0.0000 . 1 . . . . . 76 LEU HD21 . 52722 1 91 . 1 . 1 76 76 LEU CD1 C 13 20.4282 0.0000 . 1 . . . . . 76 LEU CD1 . 52722 1 92 . 1 . 1 76 76 LEU CD2 C 13 25.9694 0.0000 . 1 . . . . . 76 LEU CD2 . 52722 1 93 . 1 . 1 77 77 THR HG21 H 1 1.1879 0.0000 . 1 . . . . . 77 THR HG21 . 52722 1 94 . 1 . 1 77 77 THR HG22 H 1 1.1879 0.0000 . 1 . . . . . 77 THR HG21 . 52722 1 95 . 1 . 1 77 77 THR HG23 H 1 1.1879 0.0000 . 1 . . . . . 77 THR HG21 . 52722 1 96 . 1 . 1 77 77 THR CG2 C 13 20.4743 0.0000 . 1 . . . . . 77 THR CG2 . 52722 1 97 . 1 . 1 83 83 VAL HG11 H 1 1.1498 0.0000 . 1 . . . . . 83 VAL HG11 . 52722 1 98 . 1 . 1 83 83 VAL HG12 H 1 1.1498 0.0000 . 1 . . . . . 83 VAL HG11 . 52722 1 99 . 1 . 1 83 83 VAL HG13 H 1 1.1498 0.0000 . 1 . . . . . 83 VAL HG11 . 52722 1 100 . 1 . 1 83 83 VAL CG1 C 13 21.3262 0.0000 . 1 . . . . . 83 VAL CG1 . 52722 1 101 . 1 . 1 85 85 MET HE1 H 1 0.7538 0.0000 . 1 . . . . . 85 MET HE1 . 52722 1 102 . 1 . 1 85 85 MET HE2 H 1 0.7538 0.0000 . 1 . . . . . 85 MET HE1 . 52722 1 103 . 1 . 1 85 85 MET HE3 H 1 0.7538 0.0000 . 1 . . . . . 85 MET HE1 . 52722 1 104 . 1 . 1 85 85 MET CE C 13 16.6658 0.0000 . 1 . . . . . 85 MET CE . 52722 1 105 . 1 . 1 86 86 THR HG21 H 1 1.0788 0.0000 . 1 . . . . . 86 THR HG21 . 52722 1 106 . 1 . 1 86 86 THR HG22 H 1 1.0788 0.0000 . 1 . . . . . 86 THR HG21 . 52722 1 107 . 1 . 1 86 86 THR HG23 H 1 1.0788 0.0000 . 1 . . . . . 86 THR HG21 . 52722 1 108 . 1 . 1 86 86 THR CG2 C 13 21.2763 0.0000 . 1 . . . . . 86 THR CG2 . 52722 1 109 . 1 . 1 90 90 VAL HG11 H 1 0.7584 0.0000 . 1 . . . . . 90 VAL HG11 . 52722 1 110 . 1 . 1 90 90 VAL HG12 H 1 0.7584 0.0000 . 1 . . . . . 90 VAL HG11 . 52722 1 111 . 1 . 1 90 90 VAL HG13 H 1 0.7584 0.0000 . 1 . . . . . 90 VAL HG11 . 52722 1 112 . 1 . 1 90 90 VAL CG1 C 13 22.0859 0.0000 . 1 . . . . . 90 VAL CG1 . 52722 1 113 . 1 . 1 91 91 ILE HD11 H 1 0.9844 0.0000 . 1 . . . . . 91 ILE HD11 . 52722 1 114 . 1 . 1 91 91 ILE HD12 H 1 0.9844 0.0000 . 1 . . . . . 91 ILE HD11 . 52722 1 115 . 1 . 1 91 91 ILE HD13 H 1 0.9844 0.0000 . 1 . . . . . 91 ILE HD11 . 52722 1 116 . 1 . 1 91 91 ILE CD1 C 13 13.0270 0.0000 . 1 . . . . . 91 ILE CD1 . 52722 1 117 . 1 . 1 94 94 LEU HD11 H 1 -0.6339 0.0000 . 1 . . . . . 94 LEU HD11 . 52722 1 118 . 1 . 1 94 94 LEU HD12 H 1 -0.6339 0.0000 . 1 . . . . . 94 LEU HD11 . 52722 1 119 . 1 . 1 94 94 LEU HD13 H 1 -0.6339 0.0000 . 1 . . . . . 94 LEU HD11 . 52722 1 120 . 1 . 1 94 94 LEU HD21 H 1 -0.8458 0.0000 . 1 . . . . . 94 LEU HD21 . 52722 1 121 . 1 . 1 94 94 LEU HD22 H 1 -0.8458 0.0000 . 1 . . . . . 94 LEU HD21 . 52722 1 122 . 1 . 1 94 94 LEU HD23 H 1 -0.8458 0.0000 . 1 . . . . . 94 LEU HD21 . 52722 1 123 . 1 . 1 94 94 LEU CD1 C 13 23.8632 0.0000 . 1 . . . . . 94 LEU CD1 . 52722 1 124 . 1 . 1 94 94 LEU CD2 C 13 19.5529 0.0000 . 1 . . . . . 94 LEU CD2 . 52722 1 125 . 1 . 1 97 97 ILE HD11 H 1 0.6193 0.0000 . 1 . . . . . 97 ILE HD11 . 52722 1 126 . 1 . 1 97 97 ILE HD12 H 1 0.6193 0.0000 . 1 . . . . . 97 ILE HD11 . 52722 1 127 . 1 . 1 97 97 ILE HD13 H 1 0.6193 0.0000 . 1 . . . . . 97 ILE HD11 . 52722 1 128 . 1 . 1 97 97 ILE CD1 C 13 14.6446 0.0000 . 1 . . . . . 97 ILE CD1 . 52722 1 129 . 1 . 1 98 98 ALA HB1 H 1 1.3681 0.0000 . 1 . . . . . 98 ALA HB1 . 52722 1 130 . 1 . 1 98 98 ALA HB2 H 1 1.3681 0.0000 . 1 . . . . . 98 ALA HB1 . 52722 1 131 . 1 . 1 98 98 ALA HB3 H 1 1.3681 0.0000 . 1 . . . . . 98 ALA HB1 . 52722 1 132 . 1 . 1 98 98 ALA CB C 13 19.1188 0.0000 . 1 . . . . . 98 ALA CB . 52722 1 133 . 1 . 1 102 102 THR HG21 H 1 1.1914 0.0000 . 1 . . . . . 102 THR HG21 . 52722 1 134 . 1 . 1 102 102 THR HG22 H 1 1.1914 0.0000 . 1 . . . . . 102 THR HG21 . 52722 1 135 . 1 . 1 102 102 THR HG23 H 1 1.1914 0.0000 . 1 . . . . . 102 THR HG21 . 52722 1 136 . 1 . 1 102 102 THR CG2 C 13 22.3206 0.0000 . 1 . . . . . 102 THR CG2 . 52722 1 137 . 1 . 1 109 109 LEU HD11 H 1 0.6035 0.0000 . 1 . . . . . 109 LEU HD11 . 52722 1 138 . 1 . 1 109 109 LEU HD12 H 1 0.6035 0.0000 . 1 . . . . . 109 LEU HD11 . 52722 1 139 . 1 . 1 109 109 LEU HD13 H 1 0.6035 0.0000 . 1 . . . . . 109 LEU HD11 . 52722 1 140 . 1 . 1 109 109 LEU HD21 H 1 0.6173 0.0000 . 1 . . . . . 109 LEU HD21 . 52722 1 141 . 1 . 1 109 109 LEU HD22 H 1 0.6173 0.0000 . 1 . . . . . 109 LEU HD21 . 52722 1 142 . 1 . 1 109 109 LEU HD23 H 1 0.6173 0.0000 . 1 . . . . . 109 LEU HD21 . 52722 1 143 . 1 . 1 109 109 LEU CD1 C 13 25.7214 0.0000 . 1 . . . . . 109 LEU CD1 . 52722 1 144 . 1 . 1 109 109 LEU CD2 C 13 23.5724 0.0000 . 1 . . . . . 109 LEU CD2 . 52722 1 145 . 1 . 1 114 114 ALA HB1 H 1 1.3866 0.0000 . 1 . . . . . 114 ALA HB1 . 52722 1 146 . 1 . 1 114 114 ALA HB2 H 1 1.3866 0.0000 . 1 . . . . . 114 ALA HB1 . 52722 1 147 . 1 . 1 114 114 ALA HB3 H 1 1.3866 0.0000 . 1 . . . . . 114 ALA HB1 . 52722 1 148 . 1 . 1 114 114 ALA CB C 13 19.0045 0.0000 . 1 . . . . . 114 ALA CB . 52722 1 149 . 1 . 1 119 119 LEU HD11 H 1 0.9141 0.0000 . 1 . . . . . 119 LEU HD11 . 52722 1 150 . 1 . 1 119 119 LEU HD12 H 1 0.9141 0.0000 . 1 . . . . . 119 LEU HD11 . 52722 1 151 . 1 . 1 119 119 LEU HD13 H 1 0.9141 0.0000 . 1 . . . . . 119 LEU HD11 . 52722 1 152 . 1 . 1 119 119 LEU CD1 C 13 24.8861 0.0000 . 1 . . . . . 119 LEU CD1 . 52722 1 153 . 1 . 1 120 120 ILE HD11 H 1 0.7662 0.0000 . 1 . . . . . 120 ILE HD11 . 52722 1 154 . 1 . 1 120 120 ILE HD12 H 1 0.7662 0.0000 . 1 . . . . . 120 ILE HD11 . 52722 1 155 . 1 . 1 120 120 ILE HD13 H 1 0.7662 0.0000 . 1 . . . . . 120 ILE HD11 . 52722 1 156 . 1 . 1 120 120 ILE CD1 C 13 13.5426 0.0000 . 1 . . . . . 120 ILE CD1 . 52722 1 157 . 1 . 1 125 125 VAL HG21 H 1 0.8271 0.0000 . 1 . . . . . 125 VAL HG21 . 52722 1 158 . 1 . 1 125 125 VAL HG22 H 1 0.8271 0.0000 . 1 . . . . . 125 VAL HG21 . 52722 1 159 . 1 . 1 125 125 VAL HG23 H 1 0.8271 0.0000 . 1 . . . . . 125 VAL HG21 . 52722 1 160 . 1 . 1 125 125 VAL CG2 C 13 20.4650 0.0000 . 1 . . . . . 125 VAL CG2 . 52722 1 161 . 1 . 1 130 130 ALA HB1 H 1 0.8630 0.0000 . 1 . . . . . 130 ALA HB1 . 52722 1 162 . 1 . 1 130 130 ALA HB2 H 1 0.8630 0.0000 . 1 . . . . . 130 ALA HB1 . 52722 1 163 . 1 . 1 130 130 ALA HB3 H 1 0.8630 0.0000 . 1 . . . . . 130 ALA HB1 . 52722 1 164 . 1 . 1 130 130 ALA CB C 13 18.5228 0.0000 . 1 . . . . . 130 ALA CB . 52722 1 165 . 1 . 1 132 132 ILE HD11 H 1 0.9415 0.0000 . 1 . . . . . 132 ILE HD11 . 52722 1 166 . 1 . 1 132 132 ILE HD12 H 1 0.9415 0.0000 . 1 . . . . . 132 ILE HD11 . 52722 1 167 . 1 . 1 132 132 ILE HD13 H 1 0.9415 0.0000 . 1 . . . . . 132 ILE HD11 . 52722 1 168 . 1 . 1 132 132 ILE CD1 C 13 14.6374 0.0000 . 1 . . . . . 132 ILE CD1 . 52722 1 169 . 1 . 1 133 133 VAL HG11 H 1 0.5138 0.0000 . 1 . . . . . 133 VAL HG11 . 52722 1 170 . 1 . 1 133 133 VAL HG12 H 1 0.5138 0.0000 . 1 . . . . . 133 VAL HG11 . 52722 1 171 . 1 . 1 133 133 VAL HG13 H 1 0.5138 0.0000 . 1 . . . . . 133 VAL HG11 . 52722 1 172 . 1 . 1 133 133 VAL HG21 H 1 -0.4971 0.0000 . 1 . . . . . 133 VAL HG21 . 52722 1 173 . 1 . 1 133 133 VAL HG22 H 1 -0.4971 0.0000 . 1 . . . . . 133 VAL HG21 . 52722 1 174 . 1 . 1 133 133 VAL HG23 H 1 -0.4971 0.0000 . 1 . . . . . 133 VAL HG21 . 52722 1 175 . 1 . 1 133 133 VAL CG1 C 13 22.1526 0.0000 . 1 . . . . . 133 VAL CG1 . 52722 1 176 . 1 . 1 133 133 VAL CG2 C 13 16.2521 0.0000 . 1 . . . . . 133 VAL CG2 . 52722 1 177 . 1 . 1 134 134 ALA HB1 H 1 0.9561 0.0000 . 1 . . . . . 134 ALA HB1 . 52722 1 178 . 1 . 1 134 134 ALA HB2 H 1 0.9561 0.0000 . 1 . . . . . 134 ALA HB1 . 52722 1 179 . 1 . 1 134 134 ALA HB3 H 1 0.9561 0.0000 . 1 . . . . . 134 ALA HB1 . 52722 1 180 . 1 . 1 134 134 ALA CB C 13 21.5822 0.0000 . 1 . . . . . 134 ALA CB . 52722 1 181 . 1 . 1 137 137 VAL HG11 H 1 -0.0870 0.0000 . 1 . . . . . 137 VAL HG11 . 52722 1 182 . 1 . 1 137 137 VAL HG12 H 1 -0.0870 0.0000 . 1 . . . . . 137 VAL HG11 . 52722 1 183 . 1 . 1 137 137 VAL HG13 H 1 -0.0870 0.0000 . 1 . . . . . 137 VAL HG11 . 52722 1 184 . 1 . 1 137 137 VAL HG21 H 1 0.9534 0.0000 . 1 . . . . . 137 VAL HG21 . 52722 1 185 . 1 . 1 137 137 VAL HG22 H 1 0.9534 0.0000 . 1 . . . . . 137 VAL HG21 . 52722 1 186 . 1 . 1 137 137 VAL HG23 H 1 0.9534 0.0000 . 1 . . . . . 137 VAL HG21 . 52722 1 187 . 1 . 1 137 137 VAL CG1 C 13 21.7147 0.0000 . 1 . . . . . 137 VAL CG1 . 52722 1 188 . 1 . 1 137 137 VAL CG2 C 13 23.0786 0.0000 . 1 . . . . . 137 VAL CG2 . 52722 1 189 . 1 . 1 138 138 THR HG21 H 1 1.2390 0.0000 . 1 . . . . . 138 THR HG21 . 52722 1 190 . 1 . 1 138 138 THR HG22 H 1 1.2390 0.0000 . 1 . . . . . 138 THR HG21 . 52722 1 191 . 1 . 1 138 138 THR HG23 H 1 1.2390 0.0000 . 1 . . . . . 138 THR HG21 . 52722 1 192 . 1 . 1 138 138 THR CG2 C 13 22.7604 0.0000 . 1 . . . . . 138 THR CG2 . 52722 1 193 . 1 . 1 139 139 VAL HG11 H 1 0.4642 0.0000 . 1 . . . . . 139 VAL HG11 . 52722 1 194 . 1 . 1 139 139 VAL HG12 H 1 0.4642 0.0000 . 1 . . . . . 139 VAL HG11 . 52722 1 195 . 1 . 1 139 139 VAL HG13 H 1 0.4642 0.0000 . 1 . . . . . 139 VAL HG11 . 52722 1 196 . 1 . 1 139 139 VAL HG21 H 1 0.9517 0.0000 . 1 . . . . . 139 VAL HG21 . 52722 1 197 . 1 . 1 139 139 VAL HG22 H 1 0.9517 0.0000 . 1 . . . . . 139 VAL HG21 . 52722 1 198 . 1 . 1 139 139 VAL HG23 H 1 0.9517 0.0000 . 1 . . . . . 139 VAL HG21 . 52722 1 199 . 1 . 1 139 139 VAL CG1 C 13 20.4380 0.0000 . 1 . . . . . 139 VAL CG1 . 52722 1 200 . 1 . 1 139 139 VAL CG2 C 13 22.6352 0.0000 . 1 . . . . . 139 VAL CG2 . 52722 1 201 . 1 . 1 141 141 THR HG21 H 1 1.0516 0.0000 . 1 . . . . . 141 THR HG21 . 52722 1 202 . 1 . 1 141 141 THR HG22 H 1 1.0516 0.0000 . 1 . . . . . 141 THR HG21 . 52722 1 203 . 1 . 1 141 141 THR HG23 H 1 1.0516 0.0000 . 1 . . . . . 141 THR HG21 . 52722 1 204 . 1 . 1 141 141 THR CG2 C 13 19.6236 0.0000 . 1 . . . . . 141 THR CG2 . 52722 1 205 . 1 . 1 143 143 ALA HB1 H 1 1.3552 0.0000 . 1 . . . . . 143 ALA HB1 . 52722 1 206 . 1 . 1 143 143 ALA HB2 H 1 1.3552 0.0000 . 1 . . . . . 143 ALA HB1 . 52722 1 207 . 1 . 1 143 143 ALA HB3 H 1 1.3552 0.0000 . 1 . . . . . 143 ALA HB1 . 52722 1 208 . 1 . 1 143 143 ALA CB C 13 19.3088 0.0000 . 1 . . . . . 143 ALA CB . 52722 1 209 . 1 . 1 144 144 ALA HB1 H 1 1.3749 0.0000 . 1 . . . . . 144 ALA HB1 . 52722 1 210 . 1 . 1 144 144 ALA HB2 H 1 1.3749 0.0000 . 1 . . . . . 144 ALA HB1 . 52722 1 211 . 1 . 1 144 144 ALA HB3 H 1 1.3749 0.0000 . 1 . . . . . 144 ALA HB1 . 52722 1 212 . 1 . 1 144 144 ALA CB C 13 19.7668 0.0000 . 1 . . . . . 144 ALA CB . 52722 1 213 . 1 . 1 152 152 VAL HG11 H 1 1.1682 0.0000 . 1 . . . . . 152 VAL HG11 . 52722 1 214 . 1 . 1 152 152 VAL HG12 H 1 1.1682 0.0000 . 1 . . . . . 152 VAL HG11 . 52722 1 215 . 1 . 1 152 152 VAL HG13 H 1 1.1682 0.0000 . 1 . . . . . 152 VAL HG11 . 52722 1 216 . 1 . 1 152 152 VAL HG21 H 1 0.9121 0.0000 . 1 . . . . . 152 VAL HG21 . 52722 1 217 . 1 . 1 152 152 VAL HG22 H 1 0.9121 0.0000 . 1 . . . . . 152 VAL HG21 . 52722 1 218 . 1 . 1 152 152 VAL HG23 H 1 0.9121 0.0000 . 1 . . . . . 152 VAL HG21 . 52722 1 219 . 1 . 1 152 152 VAL CG1 C 13 23.1549 0.0000 . 1 . . . . . 152 VAL CG1 . 52722 1 220 . 1 . 1 152 152 VAL CG2 C 13 20.6973 0.0000 . 1 . . . . . 152 VAL CG2 . 52722 1 221 . 1 . 1 157 157 ALA HB1 H 1 1.5914 0.0000 . 1 . . . . . 157 ALA HB1 . 52722 1 222 . 1 . 1 157 157 ALA HB2 H 1 1.5914 0.0000 . 1 . . . . . 157 ALA HB1 . 52722 1 223 . 1 . 1 157 157 ALA HB3 H 1 1.5914 0.0000 . 1 . . . . . 157 ALA HB1 . 52722 1 224 . 1 . 1 157 157 ALA CB C 13 19.5789 0.0000 . 1 . . . . . 157 ALA CB . 52722 1 225 . 1 . 1 163 163 THR HG21 H 1 1.2251 0.0000 . 1 . . . . . 163 THR HG21 . 52722 1 226 . 1 . 1 163 163 THR HG22 H 1 1.2251 0.0000 . 1 . . . . . 163 THR HG21 . 52722 1 227 . 1 . 1 163 163 THR HG23 H 1 1.2251 0.0000 . 1 . . . . . 163 THR HG21 . 52722 1 228 . 1 . 1 163 163 THR CG2 C 13 21.4748 0.0000 . 1 . . . . . 163 THR CG2 . 52722 1 229 . 1 . 1 164 164 VAL HG11 H 1 1.2062 0.0000 . 1 . . . . . 164 VAL HG11 . 52722 1 230 . 1 . 1 164 164 VAL HG12 H 1 1.2062 0.0000 . 1 . . . . . 164 VAL HG11 . 52722 1 231 . 1 . 1 164 164 VAL HG13 H 1 1.2062 0.0000 . 1 . . . . . 164 VAL HG11 . 52722 1 232 . 1 . 1 164 164 VAL CG1 C 13 20.8420 0.0000 . 1 . . . . . 164 VAL CG1 . 52722 1 233 . 1 . 1 165 165 ALA HB1 H 1 1.3920 0.0000 . 1 . . . . . 165 ALA HB1 . 52722 1 234 . 1 . 1 165 165 ALA HB2 H 1 1.3920 0.0000 . 1 . . . . . 165 ALA HB1 . 52722 1 235 . 1 . 1 165 165 ALA HB3 H 1 1.3920 0.0000 . 1 . . . . . 165 ALA HB1 . 52722 1 236 . 1 . 1 165 165 ALA CB C 13 23.4234 0.0000 . 1 . . . . . 165 ALA CB . 52722 1 237 . 1 . 1 167 167 ILE HD11 H 1 0.9286 0.0000 . 1 . . . . . 167 ILE HD11 . 52722 1 238 . 1 . 1 167 167 ILE HD12 H 1 0.9286 0.0000 . 1 . . . . . 167 ILE HD11 . 52722 1 239 . 1 . 1 167 167 ILE HD13 H 1 0.9286 0.0000 . 1 . . . . . 167 ILE HD11 . 52722 1 240 . 1 . 1 167 167 ILE CD1 C 13 14.2970 0.0000 . 1 . . . . . 167 ILE CD1 . 52722 1 241 . 1 . 1 176 176 ILE HD11 H 1 0.7797 0.0000 . 1 . . . . . 176 ILE HD11 . 52722 1 242 . 1 . 1 176 176 ILE HD12 H 1 0.7797 0.0000 . 1 . . . . . 176 ILE HD11 . 52722 1 243 . 1 . 1 176 176 ILE HD13 H 1 0.7797 0.0000 . 1 . . . . . 176 ILE HD11 . 52722 1 244 . 1 . 1 176 176 ILE CD1 C 13 14.7241 0.0000 . 1 . . . . . 176 ILE CD1 . 52722 1 245 . 1 . 1 178 178 LEU HD11 H 1 0.5140 0.0000 . 1 . . . . . 178 LEU HD11 . 52722 1 246 . 1 . 1 178 178 LEU HD12 H 1 0.5140 0.0000 . 1 . . . . . 178 LEU HD11 . 52722 1 247 . 1 . 1 178 178 LEU HD13 H 1 0.5140 0.0000 . 1 . . . . . 178 LEU HD11 . 52722 1 248 . 1 . 1 178 178 LEU CD1 C 13 27.8941 0.0000 . 1 . . . . . 178 LEU CD1 . 52722 1 249 . 1 . 1 180 180 LEU HD11 H 1 0.8047 0.0000 . 1 . . . . . 180 LEU HD11 . 52722 1 250 . 1 . 1 180 180 LEU HD12 H 1 0.8047 0.0000 . 1 . . . . . 180 LEU HD11 . 52722 1 251 . 1 . 1 180 180 LEU HD13 H 1 0.8047 0.0000 . 1 . . . . . 180 LEU HD11 . 52722 1 252 . 1 . 1 180 180 LEU HD21 H 1 0.6180 0.0000 . 1 . . . . . 180 LEU HD21 . 52722 1 253 . 1 . 1 180 180 LEU HD22 H 1 0.6180 0.0000 . 1 . . . . . 180 LEU HD21 . 52722 1 254 . 1 . 1 180 180 LEU HD23 H 1 0.6180 0.0000 . 1 . . . . . 180 LEU HD21 . 52722 1 255 . 1 . 1 180 180 LEU CD1 C 13 26.2834 0.0000 . 1 . . . . . 180 LEU CD1 . 52722 1 256 . 1 . 1 180 180 LEU CD2 C 13 22.3487 0.0000 . 1 . . . . . 180 LEU CD2 . 52722 1 257 . 1 . 1 193 193 VAL HG11 H 1 0.6970 0.0000 . 1 . . . . . 193 VAL HG11 . 52722 1 258 . 1 . 1 193 193 VAL HG12 H 1 0.6970 0.0000 . 1 . . . . . 193 VAL HG11 . 52722 1 259 . 1 . 1 193 193 VAL HG13 H 1 0.6970 0.0000 . 1 . . . . . 193 VAL HG11 . 52722 1 260 . 1 . 1 193 193 VAL HG21 H 1 1.0984 0.0000 . 1 . . . . . 193 VAL HG21 . 52722 1 261 . 1 . 1 193 193 VAL HG22 H 1 1.0984 0.0000 . 1 . . . . . 193 VAL HG21 . 52722 1 262 . 1 . 1 193 193 VAL HG23 H 1 1.0984 0.0000 . 1 . . . . . 193 VAL HG21 . 52722 1 263 . 1 . 1 193 193 VAL CG1 C 13 21.4716 0.0000 . 1 . . . . . 193 VAL CG1 . 52722 1 264 . 1 . 1 193 193 VAL CG2 C 13 24.0037 0.0000 . 1 . . . . . 193 VAL CG2 . 52722 1 265 . 1 . 1 196 196 ILE HD11 H 1 0.8527 0.0000 . 1 . . . . . 196 ILE HD11 . 52722 1 266 . 1 . 1 196 196 ILE HD12 H 1 0.8527 0.0000 . 1 . . . . . 196 ILE HD11 . 52722 1 267 . 1 . 1 196 196 ILE HD13 H 1 0.8527 0.0000 . 1 . . . . . 196 ILE HD11 . 52722 1 268 . 1 . 1 196 196 ILE CD1 C 13 14.5692 0.0000 . 1 . . . . . 196 ILE CD1 . 52722 1 269 . 1 . 1 197 197 ILE HD11 H 1 0.7665 0.0000 . 1 . . . . . 197 ILE HD11 . 52722 1 270 . 1 . 1 197 197 ILE HD12 H 1 0.7665 0.0000 . 1 . . . . . 197 ILE HD11 . 52722 1 271 . 1 . 1 197 197 ILE HD13 H 1 0.7665 0.0000 . 1 . . . . . 197 ILE HD11 . 52722 1 272 . 1 . 1 197 197 ILE CD1 C 13 13.8768 0.0000 . 1 . . . . . 197 ILE CD1 . 52722 1 273 . 1 . 1 204 204 ILE HD11 H 1 0.7312 0.0000 . 1 . . . . . 204 ILE HD11 . 52722 1 274 . 1 . 1 204 204 ILE HD12 H 1 0.7312 0.0000 . 1 . . . . . 204 ILE HD11 . 52722 1 275 . 1 . 1 204 204 ILE HD13 H 1 0.7312 0.0000 . 1 . . . . . 204 ILE HD11 . 52722 1 276 . 1 . 1 204 204 ILE CD1 C 13 12.6465 0.0000 . 1 . . . . . 204 ILE CD1 . 52722 1 277 . 1 . 1 205 205 ALA HB1 H 1 1.4252 0.0000 . 1 . . . . . 205 ALA HB1 . 52722 1 278 . 1 . 1 205 205 ALA HB2 H 1 1.4252 0.0000 . 1 . . . . . 205 ALA HB1 . 52722 1 279 . 1 . 1 205 205 ALA HB3 H 1 1.4252 0.0000 . 1 . . . . . 205 ALA HB1 . 52722 1 280 . 1 . 1 205 205 ALA CB C 13 19.1415 0.0000 . 1 . . . . . 205 ALA CB . 52722 1 281 . 1 . 1 206 206 LEU HD11 H 1 0.7548 0.0000 . 1 . . . . . 206 LEU HD11 . 52722 1 282 . 1 . 1 206 206 LEU HD12 H 1 0.7548 0.0000 . 1 . . . . . 206 LEU HD11 . 52722 1 283 . 1 . 1 206 206 LEU HD13 H 1 0.7548 0.0000 . 1 . . . . . 206 LEU HD11 . 52722 1 284 . 1 . 1 206 206 LEU HD21 H 1 0.7046 0.0000 . 1 . . . . . 206 LEU HD21 . 52722 1 285 . 1 . 1 206 206 LEU HD22 H 1 0.7046 0.0000 . 1 . . . . . 206 LEU HD21 . 52722 1 286 . 1 . 1 206 206 LEU HD23 H 1 0.7046 0.0000 . 1 . . . . . 206 LEU HD21 . 52722 1 287 . 1 . 1 206 206 LEU CD1 C 13 25.4281 0.0000 . 1 . . . . . 206 LEU CD1 . 52722 1 288 . 1 . 1 206 206 LEU CD2 C 13 24.8522 0.0000 . 1 . . . . . 206 LEU CD2 . 52722 1 289 . 1 . 1 208 208 VAL HG11 H 1 0.7817 0.0000 . 1 . . . . . 208 VAL HG11 . 52722 1 290 . 1 . 1 208 208 VAL HG12 H 1 0.7817 0.0000 . 1 . . . . . 208 VAL HG11 . 52722 1 291 . 1 . 1 208 208 VAL HG13 H 1 0.7817 0.0000 . 1 . . . . . 208 VAL HG11 . 52722 1 292 . 1 . 1 208 208 VAL HG21 H 1 0.7538 0.0000 . 1 . . . . . 208 VAL HG21 . 52722 1 293 . 1 . 1 208 208 VAL HG22 H 1 0.7538 0.0000 . 1 . . . . . 208 VAL HG21 . 52722 1 294 . 1 . 1 208 208 VAL HG23 H 1 0.7538 0.0000 . 1 . . . . . 208 VAL HG21 . 52722 1 295 . 1 . 1 208 208 VAL CG1 C 13 19.9989 0.0000 . 1 . . . . . 208 VAL CG1 . 52722 1 296 . 1 . 1 208 208 VAL CG2 C 13 21.4955 0.0000 . 1 . . . . . 208 VAL CG2 . 52722 1 297 . 1 . 1 210 210 ILE HD11 H 1 0.7892 0.0000 . 1 . . . . . 210 ILE HD11 . 52722 1 298 . 1 . 1 210 210 ILE HD12 H 1 0.7892 0.0000 . 1 . . . . . 210 ILE HD11 . 52722 1 299 . 1 . 1 210 210 ILE HD13 H 1 0.7892 0.0000 . 1 . . . . . 210 ILE HD11 . 52722 1 300 . 1 . 1 210 210 ILE CD1 C 13 13.7030 0.0000 . 1 . . . . . 210 ILE CD1 . 52722 1 301 . 1 . 1 222 222 ILE HD11 H 1 1.1079 0.0000 . 1 . . . . . 222 ILE HD11 . 52722 1 302 . 1 . 1 222 222 ILE HD12 H 1 1.1079 0.0000 . 1 . . . . . 222 ILE HD11 . 52722 1 303 . 1 . 1 222 222 ILE HD13 H 1 1.1079 0.0000 . 1 . . . . . 222 ILE HD11 . 52722 1 304 . 1 . 1 222 222 ILE CD1 C 13 16.2596 0.0000 . 1 . . . . . 222 ILE CD1 . 52722 1 305 . 1 . 1 227 227 ILE HD11 H 1 0.6043 0.0000 . 1 . . . . . 227 ILE HD11 . 52722 1 306 . 1 . 1 227 227 ILE HD12 H 1 0.6043 0.0000 . 1 . . . . . 227 ILE HD11 . 52722 1 307 . 1 . 1 227 227 ILE HD13 H 1 0.6043 0.0000 . 1 . . . . . 227 ILE HD11 . 52722 1 308 . 1 . 1 227 227 ILE CD1 C 13 10.6982 0.0000 . 1 . . . . . 227 ILE CD1 . 52722 1 309 . 1 . 1 230 230 ALA HB1 H 1 1.3015 0.0000 . 1 . . . . . 230 ALA HB1 . 52722 1 310 . 1 . 1 230 230 ALA HB2 H 1 1.3015 0.0000 . 1 . . . . . 230 ALA HB1 . 52722 1 311 . 1 . 1 230 230 ALA HB3 H 1 1.3015 0.0000 . 1 . . . . . 230 ALA HB1 . 52722 1 312 . 1 . 1 230 230 ALA CB C 13 18.7978 0.0000 . 1 . . . . . 230 ALA CB . 52722 1 313 . 1 . 1 232 232 ALA HB1 H 1 -0.2167 0.0000 . 1 . . . . . 232 ALA HB1 . 52722 1 314 . 1 . 1 232 232 ALA HB2 H 1 -0.2167 0.0000 . 1 . . . . . 232 ALA HB1 . 52722 1 315 . 1 . 1 232 232 ALA HB3 H 1 -0.2167 0.0000 . 1 . . . . . 232 ALA HB1 . 52722 1 316 . 1 . 1 232 232 ALA CB C 13 15.7718 0.0000 . 1 . . . . . 232 ALA CB . 52722 1 317 . 1 . 1 233 233 LEU HD11 H 1 0.1368 0.0000 . 1 . . . . . 233 LEU HD11 . 52722 1 318 . 1 . 1 233 233 LEU HD12 H 1 0.1368 0.0000 . 1 . . . . . 233 LEU HD11 . 52722 1 319 . 1 . 1 233 233 LEU HD13 H 1 0.1368 0.0000 . 1 . . . . . 233 LEU HD11 . 52722 1 320 . 1 . 1 233 233 LEU HD21 H 1 0.4035 0.0000 . 1 . . . . . 233 LEU HD21 . 52722 1 321 . 1 . 1 233 233 LEU HD22 H 1 0.4035 0.0000 . 1 . . . . . 233 LEU HD21 . 52722 1 322 . 1 . 1 233 233 LEU HD23 H 1 0.4035 0.0000 . 1 . . . . . 233 LEU HD21 . 52722 1 323 . 1 . 1 233 233 LEU CD1 C 13 25.0446 0.0000 . 1 . . . . . 233 LEU CD1 . 52722 1 324 . 1 . 1 233 233 LEU CD2 C 13 26.0364 0.0000 . 1 . . . . . 233 LEU CD2 . 52722 1 325 . 1 . 1 235 235 THR HG21 H 1 0.4071 0.0000 . 1 . . . . . 235 THR HG21 . 52722 1 326 . 1 . 1 235 235 THR HG22 H 1 0.4071 0.0000 . 1 . . . . . 235 THR HG21 . 52722 1 327 . 1 . 1 235 235 THR HG23 H 1 0.4071 0.0000 . 1 . . . . . 235 THR HG21 . 52722 1 328 . 1 . 1 235 235 THR CG2 C 13 21.1134 0.0000 . 1 . . . . . 235 THR CG2 . 52722 1 329 . 1 . 1 241 241 ILE HD11 H 1 0.6765 0.0000 . 1 . . . . . 241 ILE HD11 . 52722 1 330 . 1 . 1 241 241 ILE HD12 H 1 0.6765 0.0000 . 1 . . . . . 241 ILE HD11 . 52722 1 331 . 1 . 1 241 241 ILE HD13 H 1 0.6765 0.0000 . 1 . . . . . 241 ILE HD11 . 52722 1 332 . 1 . 1 241 241 ILE CD1 C 13 13.9623 0.0000 . 1 . . . . . 241 ILE CD1 . 52722 1 333 . 1 . 1 242 242 THR HG21 H 1 1.3733 0.0000 . 1 . . . . . 242 THR HG21 . 52722 1 334 . 1 . 1 242 242 THR HG22 H 1 1.3733 0.0000 . 1 . . . . . 242 THR HG21 . 52722 1 335 . 1 . 1 242 242 THR HG23 H 1 1.3733 0.0000 . 1 . . . . . 242 THR HG21 . 52722 1 336 . 1 . 1 242 242 THR CG2 C 13 21.9156 0.0000 . 1 . . . . . 242 THR CG2 . 52722 1 337 . 1 . 1 253 253 ILE HD11 H 1 0.7403 0.0000 . 1 . . . . . 253 ILE HD11 . 52722 1 338 . 1 . 1 253 253 ILE HD12 H 1 0.7403 0.0000 . 1 . . . . . 253 ILE HD11 . 52722 1 339 . 1 . 1 253 253 ILE HD13 H 1 0.7403 0.0000 . 1 . . . . . 253 ILE HD11 . 52722 1 340 . 1 . 1 253 253 ILE CD1 C 13 14.3926 0.0000 . 1 . . . . . 253 ILE CD1 . 52722 1 341 . 1 . 1 254 254 ALA HB1 H 1 0.6717 0.0000 . 1 . . . . . 254 ALA HB1 . 52722 1 342 . 1 . 1 254 254 ALA HB2 H 1 0.6717 0.0000 . 1 . . . . . 254 ALA HB1 . 52722 1 343 . 1 . 1 254 254 ALA HB3 H 1 0.6717 0.0000 . 1 . . . . . 254 ALA HB1 . 52722 1 344 . 1 . 1 254 254 ALA CB C 13 19.3472 0.0000 . 1 . . . . . 254 ALA CB . 52722 1 345 . 1 . 1 261 261 LEU HD11 H 1 1.0272 0.0000 . 1 . . . . . 261 LEU HD11 . 52722 1 346 . 1 . 1 261 261 LEU HD12 H 1 1.0272 0.0000 . 1 . . . . . 261 LEU HD11 . 52722 1 347 . 1 . 1 261 261 LEU HD13 H 1 1.0272 0.0000 . 1 . . . . . 261 LEU HD11 . 52722 1 348 . 1 . 1 261 261 LEU HD21 H 1 0.9467 0.0000 . 1 . . . . . 261 LEU HD21 . 52722 1 349 . 1 . 1 261 261 LEU HD22 H 1 0.9467 0.0000 . 1 . . . . . 261 LEU HD21 . 52722 1 350 . 1 . 1 261 261 LEU HD23 H 1 0.9467 0.0000 . 1 . . . . . 261 LEU HD21 . 52722 1 351 . 1 . 1 261 261 LEU CD1 C 13 24.7787 0.0000 . 1 . . . . . 261 LEU CD1 . 52722 1 352 . 1 . 1 261 261 LEU CD2 C 13 24.6798 0.0000 . 1 . . . . . 261 LEU CD2 . 52722 1 353 . 1 . 1 262 262 THR HG21 H 1 0.8855 0.0000 . 1 . . . . . 262 THR HG21 . 52722 1 354 . 1 . 1 262 262 THR HG22 H 1 0.8855 0.0000 . 1 . . . . . 262 THR HG21 . 52722 1 355 . 1 . 1 262 262 THR HG23 H 1 0.8855 0.0000 . 1 . . . . . 262 THR HG21 . 52722 1 356 . 1 . 1 262 262 THR CG2 C 13 18.4912 0.0000 . 1 . . . . . 262 THR CG2 . 52722 1 357 . 1 . 1 268 268 VAL HG21 H 1 0.4869 0.0000 . 1 . . . . . 268 VAL HG21 . 52722 1 358 . 1 . 1 268 268 VAL HG22 H 1 0.4869 0.0000 . 1 . . . . . 268 VAL HG21 . 52722 1 359 . 1 . 1 268 268 VAL HG23 H 1 0.4869 0.0000 . 1 . . . . . 268 VAL HG21 . 52722 1 360 . 1 . 1 268 268 VAL CG2 C 13 21.2013 0.0000 . 1 . . . . . 268 VAL CG2 . 52722 1 361 . 1 . 1 275 275 THR HG21 H 1 1.5768 0.0000 . 1 . . . . . 275 THR HG21 . 52722 1 362 . 1 . 1 275 275 THR HG22 H 1 1.5768 0.0000 . 1 . . . . . 275 THR HG21 . 52722 1 363 . 1 . 1 275 275 THR HG23 H 1 1.5768 0.0000 . 1 . . . . . 275 THR HG21 . 52722 1 364 . 1 . 1 275 275 THR CG2 C 13 21.4942 0.0000 . 1 . . . . . 275 THR CG2 . 52722 1 365 . 1 . 1 277 277 LEU HD11 H 1 0.8239 0.0000 . 1 . . . . . 277 LEU HD11 . 52722 1 366 . 1 . 1 277 277 LEU HD12 H 1 0.8239 0.0000 . 1 . . . . . 277 LEU HD11 . 52722 1 367 . 1 . 1 277 277 LEU HD13 H 1 0.8239 0.0000 . 1 . . . . . 277 LEU HD11 . 52722 1 368 . 1 . 1 277 277 LEU CD1 C 13 26.7665 0.0000 . 1 . . . . . 277 LEU CD1 . 52722 1 369 . 1 . 1 278 278 LEU HD21 H 1 1.0548 0.0000 . 1 . . . . . 278 LEU HD21 . 52722 1 370 . 1 . 1 278 278 LEU HD22 H 1 1.0548 0.0000 . 1 . . . . . 278 LEU HD21 . 52722 1 371 . 1 . 1 278 278 LEU HD23 H 1 1.0548 0.0000 . 1 . . . . . 278 LEU HD21 . 52722 1 372 . 1 . 1 278 278 LEU CD2 C 13 24.5301 0.0000 . 1 . . . . . 278 LEU CD2 . 52722 1 373 . 1 . 1 280 280 ILE HD11 H 1 0.8123 0.0000 . 1 . . . . . 280 ILE HD11 . 52722 1 374 . 1 . 1 280 280 ILE HD12 H 1 0.8123 0.0000 . 1 . . . . . 280 ILE HD11 . 52722 1 375 . 1 . 1 280 280 ILE HD13 H 1 0.8123 0.0000 . 1 . . . . . 280 ILE HD11 . 52722 1 376 . 1 . 1 280 280 ILE CD1 C 13 10.8702 0.0000 . 1 . . . . . 280 ILE CD1 . 52722 1 377 . 1 . 1 284 284 ALA HB1 H 1 1.0031 0.0000 . 1 . . . . . 284 ALA HB1 . 52722 1 378 . 1 . 1 284 284 ALA HB2 H 1 1.0031 0.0000 . 1 . . . . . 284 ALA HB1 . 52722 1 379 . 1 . 1 284 284 ALA HB3 H 1 1.0031 0.0000 . 1 . . . . . 284 ALA HB1 . 52722 1 380 . 1 . 1 284 284 ALA CB C 13 17.6611 0.0000 . 1 . . . . . 284 ALA CB . 52722 1 381 . 1 . 1 288 288 MET HE1 H 1 1.6131 0.0000 . 1 . . . . . 288 MET HE1 . 52722 1 382 . 1 . 1 288 288 MET HE2 H 1 1.6131 0.0000 . 1 . . . . . 288 MET HE1 . 52722 1 383 . 1 . 1 288 288 MET HE3 H 1 1.6131 0.0000 . 1 . . . . . 288 MET HE1 . 52722 1 384 . 1 . 1 288 288 MET CE C 13 17.3739 0.0000 . 1 . . . . . 288 MET CE . 52722 1 385 . 1 . 1 299 299 LEU HD11 H 1 0.7380 0.0000 . 1 . . . . . 299 LEU HD11 . 52722 1 386 . 1 . 1 299 299 LEU HD12 H 1 0.7380 0.0000 . 1 . . . . . 299 LEU HD11 . 52722 1 387 . 1 . 1 299 299 LEU HD13 H 1 0.7380 0.0000 . 1 . . . . . 299 LEU HD11 . 52722 1 388 . 1 . 1 299 299 LEU HD21 H 1 0.7242 0.0000 . 1 . . . . . 299 LEU HD21 . 52722 1 389 . 1 . 1 299 299 LEU HD22 H 1 0.7242 0.0000 . 1 . . . . . 299 LEU HD21 . 52722 1 390 . 1 . 1 299 299 LEU HD23 H 1 0.7242 0.0000 . 1 . . . . . 299 LEU HD21 . 52722 1 391 . 1 . 1 299 299 LEU CD1 C 13 26.5199 0.0000 . 1 . . . . . 299 LEU CD1 . 52722 1 392 . 1 . 1 299 299 LEU CD2 C 13 25.7735 0.0000 . 1 . . . . . 299 LEU CD2 . 52722 1 393 . 1 . 1 301 301 VAL HG11 H 1 0.9244 0.0000 . 1 . . . . . 301 VAL HG11 . 52722 1 394 . 1 . 1 301 301 VAL HG12 H 1 0.9244 0.0000 . 1 . . . . . 301 VAL HG11 . 52722 1 395 . 1 . 1 301 301 VAL HG13 H 1 0.9244 0.0000 . 1 . . . . . 301 VAL HG11 . 52722 1 396 . 1 . 1 301 301 VAL HG21 H 1 0.8916 0.0000 . 1 . . . . . 301 VAL HG21 . 52722 1 397 . 1 . 1 301 301 VAL HG22 H 1 0.8916 0.0000 . 1 . . . . . 301 VAL HG21 . 52722 1 398 . 1 . 1 301 301 VAL HG23 H 1 0.8916 0.0000 . 1 . . . . . 301 VAL HG21 . 52722 1 399 . 1 . 1 301 301 VAL CG1 C 13 21.9109 0.0000 . 1 . . . . . 301 VAL CG1 . 52722 1 400 . 1 . 1 301 301 VAL CG2 C 13 22.4222 0.0000 . 1 . . . . . 301 VAL CG2 . 52722 1 401 . 1 . 1 304 304 VAL HG11 H 1 1.0795 0.0000 . 1 . . . . . 304 VAL HG11 . 52722 1 402 . 1 . 1 304 304 VAL HG12 H 1 1.0795 0.0000 . 1 . . . . . 304 VAL HG11 . 52722 1 403 . 1 . 1 304 304 VAL HG13 H 1 1.0795 0.0000 . 1 . . . . . 304 VAL HG11 . 52722 1 404 . 1 . 1 304 304 VAL CG1 C 13 21.8633 0.0000 . 1 . . . . . 304 VAL CG1 . 52722 1 405 . 1 . 1 306 306 ILE HD11 H 1 0.7804 0.0000 . 1 . . . . . 306 ILE HD11 . 52722 1 406 . 1 . 1 306 306 ILE HD12 H 1 0.7804 0.0000 . 1 . . . . . 306 ILE HD11 . 52722 1 407 . 1 . 1 306 306 ILE HD13 H 1 0.7804 0.0000 . 1 . . . . . 306 ILE HD11 . 52722 1 408 . 1 . 1 306 306 ILE CD1 C 13 9.1227 0.0000 . 1 . . . . . 306 ILE CD1 . 52722 1 409 . 1 . 1 307 307 MET HE1 H 1 1.8307 0.0000 . 1 . . . . . 307 MET HE1 . 52722 1 410 . 1 . 1 307 307 MET HE2 H 1 1.8307 0.0000 . 1 . . . . . 307 MET HE1 . 52722 1 411 . 1 . 1 307 307 MET HE3 H 1 1.8307 0.0000 . 1 . . . . . 307 MET HE1 . 52722 1 412 . 1 . 1 307 307 MET CE C 13 16.7587 0.0000 . 1 . . . . . 307 MET CE . 52722 1 413 . 1 . 1 310 310 ALA HB1 H 1 1.3628 0.0000 . 1 . . . . . 310 ALA HB1 . 52722 1 414 . 1 . 1 310 310 ALA HB2 H 1 1.3628 0.0000 . 1 . . . . . 310 ALA HB1 . 52722 1 415 . 1 . 1 310 310 ALA HB3 H 1 1.3628 0.0000 . 1 . . . . . 310 ALA HB1 . 52722 1 416 . 1 . 1 310 310 ALA CB C 13 17.5374 0.0000 . 1 . . . . . 310 ALA CB . 52722 1 417 . 1 . 1 314 314 MET HE1 H 1 1.9440 0.0000 . 1 . . . . . 314 MET HE1 . 52722 1 418 . 1 . 1 314 314 MET HE2 H 1 1.9440 0.0000 . 1 . . . . . 314 MET HE1 . 52722 1 419 . 1 . 1 314 314 MET HE3 H 1 1.9440 0.0000 . 1 . . . . . 314 MET HE1 . 52722 1 420 . 1 . 1 314 314 MET CE C 13 19.4610 0.0000 . 1 . . . . . 314 MET CE . 52722 1 421 . 1 . 1 318 318 LEU HD11 H 1 1.4029 0.0000 . 1 . . . . . 318 LEU HD11 . 52722 1 422 . 1 . 1 318 318 LEU HD12 H 1 1.4029 0.0000 . 1 . . . . . 318 LEU HD11 . 52722 1 423 . 1 . 1 318 318 LEU HD13 H 1 1.4029 0.0000 . 1 . . . . . 318 LEU HD11 . 52722 1 424 . 1 . 1 318 318 LEU HD21 H 1 1.4189 0.0000 . 1 . . . . . 318 LEU HD21 . 52722 1 425 . 1 . 1 318 318 LEU HD22 H 1 1.4189 0.0000 . 1 . . . . . 318 LEU HD21 . 52722 1 426 . 1 . 1 318 318 LEU HD23 H 1 1.4189 0.0000 . 1 . . . . . 318 LEU HD21 . 52722 1 427 . 1 . 1 318 318 LEU CD1 C 13 26.2482 0.0000 . 1 . . . . . 318 LEU CD1 . 52722 1 428 . 1 . 1 318 318 LEU CD2 C 13 25.3364 0.0000 . 1 . . . . . 318 LEU CD2 . 52722 1 429 . 1 . 1 324 324 LEU HD11 H 1 -0.2437 0.0000 . 1 . . . . . 324 LEU HD11 . 52722 1 430 . 1 . 1 324 324 LEU HD12 H 1 -0.2437 0.0000 . 1 . . . . . 324 LEU HD11 . 52722 1 431 . 1 . 1 324 324 LEU HD13 H 1 -0.2437 0.0000 . 1 . . . . . 324 LEU HD11 . 52722 1 432 . 1 . 1 324 324 LEU HD21 H 1 -0.0703 0.0000 . 1 . . . . . 324 LEU HD21 . 52722 1 433 . 1 . 1 324 324 LEU HD22 H 1 -0.0703 0.0000 . 1 . . . . . 324 LEU HD21 . 52722 1 434 . 1 . 1 324 324 LEU HD23 H 1 -0.0703 0.0000 . 1 . . . . . 324 LEU HD21 . 52722 1 435 . 1 . 1 324 324 LEU CD1 C 13 26.6495 0.0000 . 1 . . . . . 324 LEU CD1 . 52722 1 436 . 1 . 1 324 324 LEU CD2 C 13 25.6656 0.0000 . 1 . . . . . 324 LEU CD2 . 52722 1 437 . 1 . 1 325 325 ILE HD11 H 1 0.4295 0.0000 . 1 . . . . . 325 ILE HD11 . 52722 1 438 . 1 . 1 325 325 ILE HD12 H 1 0.4295 0.0000 . 1 . . . . . 325 ILE HD11 . 52722 1 439 . 1 . 1 325 325 ILE HD13 H 1 0.4295 0.0000 . 1 . . . . . 325 ILE HD11 . 52722 1 440 . 1 . 1 325 325 ILE CD1 C 13 14.4886 0.0000 . 1 . . . . . 325 ILE CD1 . 52722 1 441 . 1 . 1 330 330 LEU HD11 H 1 0.9563 0.0000 . 1 . . . . . 330 LEU HD11 . 52722 1 442 . 1 . 1 330 330 LEU HD12 H 1 0.9563 0.0000 . 1 . . . . . 330 LEU HD11 . 52722 1 443 . 1 . 1 330 330 LEU HD13 H 1 0.9563 0.0000 . 1 . . . . . 330 LEU HD11 . 52722 1 444 . 1 . 1 330 330 LEU CD1 C 13 25.9871 0.0000 . 1 . . . . . 330 LEU CD1 . 52722 1 445 . 1 . 1 332 332 LEU HD11 H 1 0.8815 0.0000 . 1 . . . . . 332 LEU HD11 . 52722 1 446 . 1 . 1 332 332 LEU HD12 H 1 0.8815 0.0000 . 1 . . . . . 332 LEU HD11 . 52722 1 447 . 1 . 1 332 332 LEU HD13 H 1 0.8815 0.0000 . 1 . . . . . 332 LEU HD11 . 52722 1 448 . 1 . 1 332 332 LEU HD21 H 1 0.9176 0.0000 . 1 . . . . . 332 LEU HD21 . 52722 1 449 . 1 . 1 332 332 LEU HD22 H 1 0.9176 0.0000 . 1 . . . . . 332 LEU HD21 . 52722 1 450 . 1 . 1 332 332 LEU HD23 H 1 0.9176 0.0000 . 1 . . . . . 332 LEU HD21 . 52722 1 451 . 1 . 1 332 332 LEU CD1 C 13 24.0709 0.0000 . 1 . . . . . 332 LEU CD1 . 52722 1 452 . 1 . 1 332 332 LEU CD2 C 13 25.1461 0.0000 . 1 . . . . . 332 LEU CD2 . 52722 1 453 . 1 . 1 334 334 VAL HG21 H 1 0.9303 0.0000 . 1 . . . . . 334 VAL HG21 . 52722 1 454 . 1 . 1 334 334 VAL HG22 H 1 0.9303 0.0000 . 1 . . . . . 334 VAL HG21 . 52722 1 455 . 1 . 1 334 334 VAL HG23 H 1 0.9303 0.0000 . 1 . . . . . 334 VAL HG21 . 52722 1 456 . 1 . 1 334 334 VAL CG2 C 13 20.5422 0.0000 . 1 . . . . . 334 VAL CG2 . 52722 1 457 . 1 . 1 338 338 ILE HD11 H 1 0.8988 0.0000 . 1 . . . . . 338 ILE HD11 . 52722 1 458 . 1 . 1 338 338 ILE HD12 H 1 0.8988 0.0000 . 1 . . . . . 338 ILE HD11 . 52722 1 459 . 1 . 1 338 338 ILE HD13 H 1 0.8988 0.0000 . 1 . . . . . 338 ILE HD11 . 52722 1 460 . 1 . 1 338 338 ILE CD1 C 13 12.6567 0.0000 . 1 . . . . . 338 ILE CD1 . 52722 1 461 . 1 . 1 339 339 LEU HD11 H 1 0.8383 0.0000 . 1 . . . . . 339 LEU HD11 . 52722 1 462 . 1 . 1 339 339 LEU HD12 H 1 0.8383 0.0000 . 1 . . . . . 339 LEU HD11 . 52722 1 463 . 1 . 1 339 339 LEU HD13 H 1 0.8383 0.0000 . 1 . . . . . 339 LEU HD11 . 52722 1 464 . 1 . 1 339 339 LEU HD21 H 1 0.7089 0.0000 . 1 . . . . . 339 LEU HD21 . 52722 1 465 . 1 . 1 339 339 LEU HD22 H 1 0.7089 0.0000 . 1 . . . . . 339 LEU HD21 . 52722 1 466 . 1 . 1 339 339 LEU HD23 H 1 0.7089 0.0000 . 1 . . . . . 339 LEU HD21 . 52722 1 467 . 1 . 1 339 339 LEU CD1 C 13 24.1270 0.0000 . 1 . . . . . 339 LEU CD1 . 52722 1 468 . 1 . 1 339 339 LEU CD2 C 13 22.5246 0.0000 . 1 . . . . . 339 LEU CD2 . 52722 1 469 . 1 . 1 343 343 THR HG21 H 1 1.3229 0.0000 . 1 . . . . . 343 THR HG21 . 52722 1 470 . 1 . 1 343 343 THR HG22 H 1 1.3229 0.0000 . 1 . . . . . 343 THR HG21 . 52722 1 471 . 1 . 1 343 343 THR HG23 H 1 1.3229 0.0000 . 1 . . . . . 343 THR HG21 . 52722 1 472 . 1 . 1 343 343 THR CG2 C 13 22.0566 0.0000 . 1 . . . . . 343 THR CG2 . 52722 1 473 . 1 . 1 344 344 VAL HG21 H 1 1.0420 0.0000 . 1 . . . . . 344 VAL HG21 . 52722 1 474 . 1 . 1 344 344 VAL HG22 H 1 1.0420 0.0000 . 1 . . . . . 344 VAL HG21 . 52722 1 475 . 1 . 1 344 344 VAL HG23 H 1 1.0420 0.0000 . 1 . . . . . 344 VAL HG21 . 52722 1 476 . 1 . 1 344 344 VAL CG2 C 13 22.1698 0.0000 . 1 . . . . . 344 VAL CG2 . 52722 1 477 . 1 . 1 348 348 LEU HD11 H 1 0.2000 0.0000 . 1 . . . . . 348 LEU HD11 . 52722 1 478 . 1 . 1 348 348 LEU HD12 H 1 0.2000 0.0000 . 1 . . . . . 348 LEU HD11 . 52722 1 479 . 1 . 1 348 348 LEU HD13 H 1 0.2000 0.0000 . 1 . . . . . 348 LEU HD11 . 52722 1 480 . 1 . 1 348 348 LEU HD21 H 1 0.6082 0.0000 . 1 . . . . . 348 LEU HD21 . 52722 1 481 . 1 . 1 348 348 LEU HD22 H 1 0.6082 0.0000 . 1 . . . . . 348 LEU HD21 . 52722 1 482 . 1 . 1 348 348 LEU HD23 H 1 0.6082 0.0000 . 1 . . . . . 348 LEU HD21 . 52722 1 483 . 1 . 1 348 348 LEU CD1 C 13 22.9154 0.0000 . 1 . . . . . 348 LEU CD1 . 52722 1 484 . 1 . 1 348 348 LEU CD2 C 13 24.8467 0.0000 . 1 . . . . . 348 LEU CD2 . 52722 1 485 . 1 . 1 351 351 ALA HB1 H 1 1.5992 0.0000 . 1 . . . . . 351 ALA HB1 . 52722 1 486 . 1 . 1 351 351 ALA HB2 H 1 1.5992 0.0000 . 1 . . . . . 351 ALA HB1 . 52722 1 487 . 1 . 1 351 351 ALA HB3 H 1 1.5992 0.0000 . 1 . . . . . 351 ALA HB1 . 52722 1 488 . 1 . 1 351 351 ALA CB C 13 18.6649 0.0000 . 1 . . . . . 351 ALA CB . 52722 1 489 . 1 . 1 352 352 LEU HD11 H 1 0.5518 0.0000 . 1 . . . . . 352 LEU HD11 . 52722 1 490 . 1 . 1 352 352 LEU HD12 H 1 0.5518 0.0000 . 1 . . . . . 352 LEU HD11 . 52722 1 491 . 1 . 1 352 352 LEU HD13 H 1 0.5518 0.0000 . 1 . . . . . 352 LEU HD11 . 52722 1 492 . 1 . 1 352 352 LEU HD21 H 1 0.7259 0.0000 . 1 . . . . . 352 LEU HD21 . 52722 1 493 . 1 . 1 352 352 LEU HD22 H 1 0.7259 0.0000 . 1 . . . . . 352 LEU HD21 . 52722 1 494 . 1 . 1 352 352 LEU HD23 H 1 0.7259 0.0000 . 1 . . . . . 352 LEU HD21 . 52722 1 495 . 1 . 1 352 352 LEU CD1 C 13 26.1200 0.0000 . 1 . . . . . 352 LEU CD1 . 52722 1 496 . 1 . 1 352 352 LEU CD2 C 13 26.2685 0.0000 . 1 . . . . . 352 LEU CD2 . 52722 1 497 . 1 . 1 353 353 THR HG21 H 1 1.1897 0.0000 . 1 . . . . . 353 THR HG21 . 52722 1 498 . 1 . 1 353 353 THR HG22 H 1 1.1897 0.0000 . 1 . . . . . 353 THR HG21 . 52722 1 499 . 1 . 1 353 353 THR HG23 H 1 1.1897 0.0000 . 1 . . . . . 353 THR HG21 . 52722 1 500 . 1 . 1 353 353 THR CG2 C 13 20.8921 0.0000 . 1 . . . . . 353 THR CG2 . 52722 1 501 . 1 . 1 356 356 VAL HG11 H 1 0.0275 0.0000 . 1 . . . . . 356 VAL HG11 . 52722 1 502 . 1 . 1 356 356 VAL HG12 H 1 0.0275 0.0000 . 1 . . . . . 356 VAL HG11 . 52722 1 503 . 1 . 1 356 356 VAL HG13 H 1 0.0275 0.0000 . 1 . . . . . 356 VAL HG11 . 52722 1 504 . 1 . 1 356 356 VAL CG1 C 13 20.9554 0.0000 . 1 . . . . . 356 VAL CG1 . 52722 1 505 . 1 . 1 357 357 LEU HD11 H 1 0.9699 0.0000 . 1 . . . . . 357 LEU HD11 . 52722 1 506 . 1 . 1 357 357 LEU HD12 H 1 0.9699 0.0000 . 1 . . . . . 357 LEU HD11 . 52722 1 507 . 1 . 1 357 357 LEU HD13 H 1 0.9699 0.0000 . 1 . . . . . 357 LEU HD11 . 52722 1 508 . 1 . 1 357 357 LEU CD1 C 13 21.8581 0.0000 . 1 . . . . . 357 LEU CD1 . 52722 1 509 . 1 . 1 359 359 MET HE1 H 1 1.8054 0.0000 . 1 . . . . . 359 MET HE1 . 52722 1 510 . 1 . 1 359 359 MET HE2 H 1 1.8054 0.0000 . 1 . . . . . 359 MET HE1 . 52722 1 511 . 1 . 1 359 359 MET HE3 H 1 1.8054 0.0000 . 1 . . . . . 359 MET HE1 . 52722 1 512 . 1 . 1 359 359 MET CE C 13 16.1679 0.0000 . 1 . . . . . 359 MET CE . 52722 1 513 . 1 . 1 360 360 LEU HD11 H 1 0.5818 0.0000 . 1 . . . . . 360 LEU HD11 . 52722 1 514 . 1 . 1 360 360 LEU HD12 H 1 0.5818 0.0000 . 1 . . . . . 360 LEU HD11 . 52722 1 515 . 1 . 1 360 360 LEU HD13 H 1 0.5818 0.0000 . 1 . . . . . 360 LEU HD11 . 52722 1 516 . 1 . 1 360 360 LEU CD1 C 13 26.2167 0.0000 . 1 . . . . . 360 LEU CD1 . 52722 1 517 . 1 . 1 363 363 LEU HD11 H 1 0.9664 0.0000 . 1 . . . . . 363 LEU HD11 . 52722 1 518 . 1 . 1 363 363 LEU HD12 H 1 0.9664 0.0000 . 1 . . . . . 363 LEU HD11 . 52722 1 519 . 1 . 1 363 363 LEU HD13 H 1 0.9664 0.0000 . 1 . . . . . 363 LEU HD11 . 52722 1 520 . 1 . 1 363 363 LEU HD21 H 1 0.7527 0.0000 . 1 . . . . . 363 LEU HD21 . 52722 1 521 . 1 . 1 363 363 LEU HD22 H 1 0.7527 0.0000 . 1 . . . . . 363 LEU HD21 . 52722 1 522 . 1 . 1 363 363 LEU HD23 H 1 0.7527 0.0000 . 1 . . . . . 363 LEU HD21 . 52722 1 523 . 1 . 1 363 363 LEU CD1 C 13 23.8095 0.0000 . 1 . . . . . 363 LEU CD1 . 52722 1 524 . 1 . 1 363 363 LEU CD2 C 13 25.6114 0.0000 . 1 . . . . . 363 LEU CD2 . 52722 1 525 . 1 . 1 364 364 ALA HB1 H 1 0.5441 0.0000 . 1 . . . . . 364 ALA HB1 . 52722 1 526 . 1 . 1 364 364 ALA HB2 H 1 0.5441 0.0000 . 1 . . . . . 364 ALA HB1 . 52722 1 527 . 1 . 1 364 364 ALA HB3 H 1 0.5441 0.0000 . 1 . . . . . 364 ALA HB1 . 52722 1 528 . 1 . 1 364 364 ALA CB C 13 17.0325 0.0000 . 1 . . . . . 364 ALA CB . 52722 1 529 . 1 . 1 373 373 THR HG21 H 1 1.2813 0.0000 . 1 . . . . . 373 THR HG21 . 52722 1 530 . 1 . 1 373 373 THR HG22 H 1 1.2813 0.0000 . 1 . . . . . 373 THR HG21 . 52722 1 531 . 1 . 1 373 373 THR HG23 H 1 1.2813 0.0000 . 1 . . . . . 373 THR HG21 . 52722 1 532 . 1 . 1 373 373 THR CG2 C 13 22.4580 0.0000 . 1 . . . . . 373 THR CG2 . 52722 1 533 . 1 . 1 380 380 LEU HD21 H 1 0.8083 0.0000 . 1 . . . . . 380 LEU HD21 . 52722 1 534 . 1 . 1 380 380 LEU HD22 H 1 0.8083 0.0000 . 1 . . . . . 380 LEU HD21 . 52722 1 535 . 1 . 1 380 380 LEU HD23 H 1 0.8083 0.0000 . 1 . . . . . 380 LEU HD21 . 52722 1 536 . 1 . 1 380 380 LEU CD2 C 13 25.0389 0.0000 . 1 . . . . . 380 LEU CD2 . 52722 1 537 . 1 . 1 381 381 VAL HG11 H 1 0.8655 0.0000 . 1 . . . . . 381 VAL HG11 . 52722 1 538 . 1 . 1 381 381 VAL HG12 H 1 0.8655 0.0000 . 1 . . . . . 381 VAL HG11 . 52722 1 539 . 1 . 1 381 381 VAL HG13 H 1 0.8655 0.0000 . 1 . . . . . 381 VAL HG11 . 52722 1 540 . 1 . 1 381 381 VAL CG1 C 13 22.6319 0.0000 . 1 . . . . . 381 VAL CG1 . 52722 1 541 . 1 . 1 382 382 LEU HD11 H 1 0.6710 0.0000 . 1 . . . . . 382 LEU HD11 . 52722 1 542 . 1 . 1 382 382 LEU HD12 H 1 0.6710 0.0000 . 1 . . . . . 382 LEU HD11 . 52722 1 543 . 1 . 1 382 382 LEU HD13 H 1 0.6710 0.0000 . 1 . . . . . 382 LEU HD11 . 52722 1 544 . 1 . 1 382 382 LEU CD1 C 13 23.7227 0.0000 . 1 . . . . . 382 LEU CD1 . 52722 1 545 . 1 . 1 387 387 ALA HB1 H 1 0.5176 0.0000 . 1 . . . . . 387 ALA HB1 . 52722 1 546 . 1 . 1 387 387 ALA HB2 H 1 0.5176 0.0000 . 1 . . . . . 387 ALA HB1 . 52722 1 547 . 1 . 1 387 387 ALA HB3 H 1 0.5176 0.0000 . 1 . . . . . 387 ALA HB1 . 52722 1 548 . 1 . 1 387 387 ALA CB C 13 19.8003 0.0000 . 1 . . . . . 387 ALA CB . 52722 1 549 . 1 . 1 395 395 ALA HB1 H 1 1.5082 0.0000 . 1 . . . . . 395 ALA HB1 . 52722 1 550 . 1 . 1 395 395 ALA HB2 H 1 1.5082 0.0000 . 1 . . . . . 395 ALA HB1 . 52722 1 551 . 1 . 1 395 395 ALA HB3 H 1 1.5082 0.0000 . 1 . . . . . 395 ALA HB1 . 52722 1 552 . 1 . 1 395 395 ALA CB C 13 18.9732 0.0000 . 1 . . . . . 395 ALA CB . 52722 1 553 . 1 . 1 396 396 ILE HD11 H 1 0.4877 0.0000 . 1 . . . . . 396 ILE HD11 . 52722 1 554 . 1 . 1 396 396 ILE HD12 H 1 0.4877 0.0000 . 1 . . . . . 396 ILE HD11 . 52722 1 555 . 1 . 1 396 396 ILE HD13 H 1 0.4877 0.0000 . 1 . . . . . 396 ILE HD11 . 52722 1 556 . 1 . 1 396 396 ILE CD1 C 13 13.6723 0.0000 . 1 . . . . . 396 ILE CD1 . 52722 1 557 . 1 . 1 397 397 ALA HB1 H 1 1.7152 0.0000 . 1 . . . . . 397 ALA HB1 . 52722 1 558 . 1 . 1 397 397 ALA HB2 H 1 1.7152 0.0000 . 1 . . . . . 397 ALA HB1 . 52722 1 559 . 1 . 1 397 397 ALA HB3 H 1 1.7152 0.0000 . 1 . . . . . 397 ALA HB1 . 52722 1 560 . 1 . 1 397 397 ALA CB C 13 18.2330 0.0000 . 1 . . . . . 397 ALA CB . 52722 1 561 . 1 . 1 399 399 LEU HD11 H 1 1.0928 0.0000 . 1 . . . . . 399 LEU HD11 . 52722 1 562 . 1 . 1 399 399 LEU HD12 H 1 1.0928 0.0000 . 1 . . . . . 399 LEU HD11 . 52722 1 563 . 1 . 1 399 399 LEU HD13 H 1 1.0928 0.0000 . 1 . . . . . 399 LEU HD11 . 52722 1 564 . 1 . 1 399 399 LEU HD21 H 1 0.7175 0.0000 . 1 . . . . . 399 LEU HD21 . 52722 1 565 . 1 . 1 399 399 LEU HD22 H 1 0.7175 0.0000 . 1 . . . . . 399 LEU HD21 . 52722 1 566 . 1 . 1 399 399 LEU HD23 H 1 0.7175 0.0000 . 1 . . . . . 399 LEU HD21 . 52722 1 567 . 1 . 1 399 399 LEU CD1 C 13 27.6352 0.0000 . 1 . . . . . 399 LEU CD1 . 52722 1 568 . 1 . 1 399 399 LEU CD2 C 13 20.6988 0.0000 . 1 . . . . . 399 LEU CD2 . 52722 1 569 . 1 . 1 400 400 LEU HD11 H 1 1.0016 0.0000 . 1 . . . . . 400 LEU HD11 . 52722 1 570 . 1 . 1 400 400 LEU HD12 H 1 1.0016 0.0000 . 1 . . . . . 400 LEU HD11 . 52722 1 571 . 1 . 1 400 400 LEU HD13 H 1 1.0016 0.0000 . 1 . . . . . 400 LEU HD11 . 52722 1 572 . 1 . 1 400 400 LEU HD21 H 1 0.9408 0.0000 . 1 . . . . . 400 LEU HD21 . 52722 1 573 . 1 . 1 400 400 LEU HD22 H 1 0.9408 0.0000 . 1 . . . . . 400 LEU HD21 . 52722 1 574 . 1 . 1 400 400 LEU HD23 H 1 0.9408 0.0000 . 1 . . . . . 400 LEU HD21 . 52722 1 575 . 1 . 1 400 400 LEU CD1 C 13 26.9179 0.0000 . 1 . . . . . 400 LEU CD1 . 52722 1 576 . 1 . 1 400 400 LEU CD2 C 13 22.3066 0.0000 . 1 . . . . . 400 LEU CD2 . 52722 1 577 . 1 . 1 403 403 ALA HB1 H 1 1.7256 0.0000 . 1 . . . . . 403 ALA HB1 . 52722 1 578 . 1 . 1 403 403 ALA HB2 H 1 1.7256 0.0000 . 1 . . . . . 403 ALA HB1 . 52722 1 579 . 1 . 1 403 403 ALA HB3 H 1 1.7256 0.0000 . 1 . . . . . 403 ALA HB1 . 52722 1 580 . 1 . 1 403 403 ALA CB C 13 19.4384 0.0000 . 1 . . . . . 403 ALA CB . 52722 1 581 . 1 . 1 405 405 THR HG21 H 1 1.5253 0.0000 . 1 . . . . . 405 THR HG21 . 52722 1 582 . 1 . 1 405 405 THR HG22 H 1 1.5253 0.0000 . 1 . . . . . 405 THR HG21 . 52722 1 583 . 1 . 1 405 405 THR HG23 H 1 1.5253 0.0000 . 1 . . . . . 405 THR HG21 . 52722 1 584 . 1 . 1 405 405 THR CG2 C 13 23.6052 0.0000 . 1 . . . . . 405 THR CG2 . 52722 1 585 . 1 . 1 411 411 ALA HB1 H 1 1.2181 0.0000 . 1 . . . . . 411 ALA HB1 . 52722 1 586 . 1 . 1 411 411 ALA HB2 H 1 1.2181 0.0000 . 1 . . . . . 411 ALA HB1 . 52722 1 587 . 1 . 1 411 411 ALA HB3 H 1 1.2181 0.0000 . 1 . . . . . 411 ALA HB1 . 52722 1 588 . 1 . 1 411 411 ALA CB C 13 18.3404 0.0000 . 1 . . . . . 411 ALA CB . 52722 1 589 . 1 . 1 414 414 VAL HG11 H 1 1.2001 0.0000 . 1 . . . . . 414 VAL HG11 . 52722 1 590 . 1 . 1 414 414 VAL HG12 H 1 1.2001 0.0000 . 1 . . . . . 414 VAL HG11 . 52722 1 591 . 1 . 1 414 414 VAL HG13 H 1 1.2001 0.0000 . 1 . . . . . 414 VAL HG11 . 52722 1 592 . 1 . 1 414 414 VAL CG1 C 13 21.5208 0.0000 . 1 . . . . . 414 VAL CG1 . 52722 1 593 . 1 . 1 416 416 LEU HD11 H 1 0.5986 0.0000 . 1 . . . . . 416 LEU HD11 . 52722 1 594 . 1 . 1 416 416 LEU HD12 H 1 0.5986 0.0000 . 1 . . . . . 416 LEU HD11 . 52722 1 595 . 1 . 1 416 416 LEU HD13 H 1 0.5986 0.0000 . 1 . . . . . 416 LEU HD11 . 52722 1 596 . 1 . 1 416 416 LEU HD21 H 1 -0.1589 0.0000 . 1 . . . . . 416 LEU HD21 . 52722 1 597 . 1 . 1 416 416 LEU HD22 H 1 -0.1589 0.0000 . 1 . . . . . 416 LEU HD21 . 52722 1 598 . 1 . 1 416 416 LEU HD23 H 1 -0.1589 0.0000 . 1 . . . . . 416 LEU HD21 . 52722 1 599 . 1 . 1 416 416 LEU CD1 C 13 25.9702 0.0000 . 1 . . . . . 416 LEU CD1 . 52722 1 600 . 1 . 1 416 416 LEU CD2 C 13 24.8807 0.0000 . 1 . . . . . 416 LEU CD2 . 52722 1 601 . 1 . 1 420 420 VAL HG11 H 1 1.3236 0.0000 . 1 . . . . . 420 VAL HG11 . 52722 1 602 . 1 . 1 420 420 VAL HG12 H 1 1.3236 0.0000 . 1 . . . . . 420 VAL HG11 . 52722 1 603 . 1 . 1 420 420 VAL HG13 H 1 1.3236 0.0000 . 1 . . . . . 420 VAL HG11 . 52722 1 604 . 1 . 1 420 420 VAL HG21 H 1 1.0842 0.0000 . 1 . . . . . 420 VAL HG21 . 52722 1 605 . 1 . 1 420 420 VAL HG22 H 1 1.0842 0.0000 . 1 . . . . . 420 VAL HG21 . 52722 1 606 . 1 . 1 420 420 VAL HG23 H 1 1.0842 0.0000 . 1 . . . . . 420 VAL HG21 . 52722 1 607 . 1 . 1 420 420 VAL CG1 C 13 23.0056 0.0000 . 1 . . . . . 420 VAL CG1 . 52722 1 608 . 1 . 1 420 420 VAL CG2 C 13 21.5904 0.0000 . 1 . . . . . 420 VAL CG2 . 52722 1 609 . 1 . 1 423 423 MET HE1 H 1 1.8718 0.0000 . 1 . . . . . 423 MET HE1 . 52722 1 610 . 1 . 1 423 423 MET HE2 H 1 1.8718 0.0000 . 1 . . . . . 423 MET HE1 . 52722 1 611 . 1 . 1 423 423 MET HE3 H 1 1.8718 0.0000 . 1 . . . . . 423 MET HE1 . 52722 1 612 . 1 . 1 423 423 MET CE C 13 16.2596 0.0000 . 1 . . . . . 423 MET CE . 52722 1 613 . 1 . 1 430 430 ILE HD11 H 1 0.1751 0.0000 . 1 . . . . . 430 ILE HD11 . 52722 1 614 . 1 . 1 430 430 ILE HD12 H 1 0.1751 0.0000 . 1 . . . . . 430 ILE HD11 . 52722 1 615 . 1 . 1 430 430 ILE HD13 H 1 0.1751 0.0000 . 1 . . . . . 430 ILE HD11 . 52722 1 616 . 1 . 1 430 430 ILE CD1 C 13 13.8913 0.0000 . 1 . . . . . 430 ILE CD1 . 52722 1 617 . 1 . 1 433 433 ILE HD11 H 1 1.0021 0.0000 . 1 . . . . . 433 ILE HD11 . 52722 1 618 . 1 . 1 433 433 ILE HD12 H 1 1.0021 0.0000 . 1 . . . . . 433 ILE HD11 . 52722 1 619 . 1 . 1 433 433 ILE HD13 H 1 1.0021 0.0000 . 1 . . . . . 433 ILE HD11 . 52722 1 620 . 1 . 1 433 433 ILE CD1 C 13 14.5380 0.0000 . 1 . . . . . 433 ILE CD1 . 52722 1 621 . 1 . 1 434 434 THR HG21 H 1 1.3755 0.0000 . 1 . . . . . 434 THR HG21 . 52722 1 622 . 1 . 1 434 434 THR HG22 H 1 1.3755 0.0000 . 1 . . . . . 434 THR HG21 . 52722 1 623 . 1 . 1 434 434 THR HG23 H 1 1.3755 0.0000 . 1 . . . . . 434 THR HG21 . 52722 1 624 . 1 . 1 434 434 THR CG2 C 13 22.6568 0.0000 . 1 . . . . . 434 THR CG2 . 52722 1 625 . 1 . 1 435 435 ALA HB1 H 1 1.4469 0.0000 . 1 . . . . . 435 ALA HB1 . 52722 1 626 . 1 . 1 435 435 ALA HB2 H 1 1.4469 0.0000 . 1 . . . . . 435 ALA HB1 . 52722 1 627 . 1 . 1 435 435 ALA HB3 H 1 1.4469 0.0000 . 1 . . . . . 435 ALA HB1 . 52722 1 628 . 1 . 1 435 435 ALA CB C 13 18.7997 0.0000 . 1 . . . . . 435 ALA CB . 52722 1 629 . 1 . 1 439 439 ALA HB1 H 1 1.4164 0.0000 . 1 . . . . . 439 ALA HB1 . 52722 1 630 . 1 . 1 439 439 ALA HB2 H 1 1.4164 0.0000 . 1 . . . . . 439 ALA HB1 . 52722 1 631 . 1 . 1 439 439 ALA HB3 H 1 1.4164 0.0000 . 1 . . . . . 439 ALA HB1 . 52722 1 632 . 1 . 1 439 439 ALA CB C 13 18.1514 0.0000 . 1 . . . . . 439 ALA CB . 52722 1 633 . 1 . 1 441 441 ALA HB1 H 1 1.3019 0.0000 . 1 . . . . . 441 ALA HB1 . 52722 1 634 . 1 . 1 441 441 ALA HB2 H 1 1.3019 0.0000 . 1 . . . . . 441 ALA HB1 . 52722 1 635 . 1 . 1 441 441 ALA HB3 H 1 1.3019 0.0000 . 1 . . . . . 441 ALA HB1 . 52722 1 636 . 1 . 1 441 441 ALA CB C 13 18.0128 0.0000 . 1 . . . . . 441 ALA CB . 52722 1 637 . 1 . 1 447 447 LEU HD21 H 1 0.9954 0.0000 . 1 . . . . . 447 LEU HD21 . 52722 1 638 . 1 . 1 447 447 LEU HD22 H 1 0.9954 0.0000 . 1 . . . . . 447 LEU HD21 . 52722 1 639 . 1 . 1 447 447 LEU HD23 H 1 0.9954 0.0000 . 1 . . . . . 447 LEU HD21 . 52722 1 640 . 1 . 1 447 447 LEU CD2 C 13 25.8387 0.0000 . 1 . . . . . 447 LEU CD2 . 52722 1 641 . 1 . 1 449 449 LEU HD11 H 1 0.8287 0.0000 . 1 . . . . . 449 LEU HD11 . 52722 1 642 . 1 . 1 449 449 LEU HD12 H 1 0.8287 0.0000 . 1 . . . . . 449 LEU HD11 . 52722 1 643 . 1 . 1 449 449 LEU HD13 H 1 0.8287 0.0000 . 1 . . . . . 449 LEU HD11 . 52722 1 644 . 1 . 1 449 449 LEU HD21 H 1 0.9220 0.0000 . 1 . . . . . 449 LEU HD21 . 52722 1 645 . 1 . 1 449 449 LEU HD22 H 1 0.9220 0.0000 . 1 . . . . . 449 LEU HD21 . 52722 1 646 . 1 . 1 449 449 LEU HD23 H 1 0.9220 0.0000 . 1 . . . . . 449 LEU HD21 . 52722 1 647 . 1 . 1 449 449 LEU CD1 C 13 24.6335 0.0000 . 1 . . . . . 449 LEU CD1 . 52722 1 648 . 1 . 1 449 449 LEU CD2 C 13 24.2058 0.0000 . 1 . . . . . 449 LEU CD2 . 52722 1 649 . 1 . 1 450 450 LEU HD11 H 1 0.4764 0.0000 . 1 . . . . . 450 LEU HD11 . 52722 1 650 . 1 . 1 450 450 LEU HD12 H 1 0.4764 0.0000 . 1 . . . . . 450 LEU HD11 . 52722 1 651 . 1 . 1 450 450 LEU HD13 H 1 0.4764 0.0000 . 1 . . . . . 450 LEU HD11 . 52722 1 652 . 1 . 1 450 450 LEU CD1 C 13 24.8900 0.0000 . 1 . . . . . 450 LEU CD1 . 52722 1 653 . 1 . 1 455 455 ILE HD11 H 1 0.7178 0.0000 . 1 . . . . . 455 ILE HD11 . 52722 1 654 . 1 . 1 455 455 ILE HD12 H 1 0.7178 0.0000 . 1 . . . . . 455 ILE HD11 . 52722 1 655 . 1 . 1 455 455 ILE HD13 H 1 0.7178 0.0000 . 1 . . . . . 455 ILE HD11 . 52722 1 656 . 1 . 1 455 455 ILE CD1 C 13 12.2393 0.0000 . 1 . . . . . 455 ILE CD1 . 52722 1 657 . 1 . 1 457 457 VAL HG21 H 1 0.8919 0.0000 . 1 . . . . . 457 VAL HG21 . 52722 1 658 . 1 . 1 457 457 VAL HG22 H 1 0.8919 0.0000 . 1 . . . . . 457 VAL HG21 . 52722 1 659 . 1 . 1 457 457 VAL HG23 H 1 0.8919 0.0000 . 1 . . . . . 457 VAL HG21 . 52722 1 660 . 1 . 1 457 457 VAL CG2 C 13 21.9198 0.0000 . 1 . . . . . 457 VAL CG2 . 52722 1 661 . 1 . 1 458 458 LEU HD11 H 1 0.3450 0.0000 . 1 . . . . . 458 LEU HD11 . 52722 1 662 . 1 . 1 458 458 LEU HD12 H 1 0.3450 0.0000 . 1 . . . . . 458 LEU HD11 . 52722 1 663 . 1 . 1 458 458 LEU HD13 H 1 0.3450 0.0000 . 1 . . . . . 458 LEU HD11 . 52722 1 664 . 1 . 1 458 458 LEU CD1 C 13 23.0058 0.0000 . 1 . . . . . 458 LEU CD1 . 52722 1 665 . 1 . 1 459 459 LEU HD11 H 1 0.8185 0.0000 . 1 . . . . . 459 LEU HD11 . 52722 1 666 . 1 . 1 459 459 LEU HD12 H 1 0.8185 0.0000 . 1 . . . . . 459 LEU HD11 . 52722 1 667 . 1 . 1 459 459 LEU HD13 H 1 0.8185 0.0000 . 1 . . . . . 459 LEU HD11 . 52722 1 668 . 1 . 1 459 459 LEU HD21 H 1 0.6749 0.0000 . 1 . . . . . 459 LEU HD21 . 52722 1 669 . 1 . 1 459 459 LEU HD22 H 1 0.6749 0.0000 . 1 . . . . . 459 LEU HD21 . 52722 1 670 . 1 . 1 459 459 LEU HD23 H 1 0.6749 0.0000 . 1 . . . . . 459 LEU HD21 . 52722 1 671 . 1 . 1 459 459 LEU CD1 C 13 27.3434 0.0000 . 1 . . . . . 459 LEU CD1 . 52722 1 672 . 1 . 1 459 459 LEU CD2 C 13 23.0667 0.0000 . 1 . . . . . 459 LEU CD2 . 52722 1 673 . 1 . 1 460 460 LEU HD11 H 1 0.6797 0.0000 . 1 . . . . . 460 LEU HD11 . 52722 1 674 . 1 . 1 460 460 LEU HD12 H 1 0.6797 0.0000 . 1 . . . . . 460 LEU HD11 . 52722 1 675 . 1 . 1 460 460 LEU HD13 H 1 0.6797 0.0000 . 1 . . . . . 460 LEU HD11 . 52722 1 676 . 1 . 1 460 460 LEU CD1 C 13 26.8450 0.0000 . 1 . . . . . 460 LEU CD1 . 52722 1 677 . 1 . 1 464 464 ILE HD11 H 1 1.0392 0.0000 . 1 . . . . . 464 ILE HD11 . 52722 1 678 . 1 . 1 464 464 ILE HD12 H 1 1.0392 0.0000 . 1 . . . . . 464 ILE HD11 . 52722 1 679 . 1 . 1 464 464 ILE HD13 H 1 1.0392 0.0000 . 1 . . . . . 464 ILE HD11 . 52722 1 680 . 1 . 1 464 464 ILE CD1 C 13 15.2906 0.0000 . 1 . . . . . 464 ILE CD1 . 52722 1 681 . 1 . 1 468 468 MET HE1 H 1 0.3513 0.0000 . 1 . . . . . 468 MET HE1 . 52722 1 682 . 1 . 1 468 468 MET HE2 H 1 0.3513 0.0000 . 1 . . . . . 468 MET HE1 . 52722 1 683 . 1 . 1 468 468 MET HE3 H 1 0.3513 0.0000 . 1 . . . . . 468 MET HE1 . 52722 1 684 . 1 . 1 468 468 MET CE C 13 14.3658 0.0000 . 1 . . . . . 468 MET CE . 52722 1 685 . 1 . 1 469 469 MET HE1 H 1 2.1207 0.0000 . 1 . . . . . 469 MET HE1 . 52722 1 686 . 1 . 1 469 469 MET HE2 H 1 2.1207 0.0000 . 1 . . . . . 469 MET HE1 . 52722 1 687 . 1 . 1 469 469 MET HE3 H 1 2.1207 0.0000 . 1 . . . . . 469 MET HE1 . 52722 1 688 . 1 . 1 469 469 MET CE C 13 16.5589 0.0000 . 1 . . . . . 469 MET CE . 52722 1 689 . 1 . 1 472 472 LEU HD11 H 1 0.8017 0.0000 . 1 . . . . . 472 LEU HD11 . 52722 1 690 . 1 . 1 472 472 LEU HD12 H 1 0.8017 0.0000 . 1 . . . . . 472 LEU HD11 . 52722 1 691 . 1 . 1 472 472 LEU HD13 H 1 0.8017 0.0000 . 1 . . . . . 472 LEU HD11 . 52722 1 692 . 1 . 1 472 472 LEU CD1 C 13 23.9141 0.0000 . 1 . . . . . 472 LEU CD1 . 52722 1 693 . 1 . 1 483 483 VAL HG11 H 1 0.9003 0.0000 . 1 . . . . . 483 VAL HG11 . 52722 1 694 . 1 . 1 483 483 VAL HG12 H 1 0.9003 0.0000 . 1 . . . . . 483 VAL HG11 . 52722 1 695 . 1 . 1 483 483 VAL HG13 H 1 0.9003 0.0000 . 1 . . . . . 483 VAL HG11 . 52722 1 696 . 1 . 1 483 483 VAL HG21 H 1 1.0015 0.0000 . 1 . . . . . 483 VAL HG21 . 52722 1 697 . 1 . 1 483 483 VAL HG22 H 1 1.0015 0.0000 . 1 . . . . . 483 VAL HG21 . 52722 1 698 . 1 . 1 483 483 VAL HG23 H 1 1.0015 0.0000 . 1 . . . . . 483 VAL HG21 . 52722 1 699 . 1 . 1 483 483 VAL CG1 C 13 21.1386 0.0000 . 1 . . . . . 483 VAL CG1 . 52722 1 700 . 1 . 1 483 483 VAL CG2 C 13 23.5056 0.0000 . 1 . . . . . 483 VAL CG2 . 52722 1 701 . 1 . 1 486 486 VAL HG11 H 1 0.9357 0.0000 . 1 . . . . . 486 VAL HG11 . 52722 1 702 . 1 . 1 486 486 VAL HG12 H 1 0.9357 0.0000 . 1 . . . . . 486 VAL HG11 . 52722 1 703 . 1 . 1 486 486 VAL HG13 H 1 0.9357 0.0000 . 1 . . . . . 486 VAL HG11 . 52722 1 704 . 1 . 1 486 486 VAL CG1 C 13 21.2124 0.0000 . 1 . . . . . 486 VAL CG1 . 52722 1 705 . 1 . 1 490 490 LEU HD11 H 1 0.7421 0.0000 . 1 . . . . . 490 LEU HD11 . 52722 1 706 . 1 . 1 490 490 LEU HD12 H 1 0.7421 0.0000 . 1 . . . . . 490 LEU HD11 . 52722 1 707 . 1 . 1 490 490 LEU HD13 H 1 0.7421 0.0000 . 1 . . . . . 490 LEU HD11 . 52722 1 708 . 1 . 1 490 490 LEU HD21 H 1 0.8549 0.0000 . 1 . . . . . 490 LEU HD21 . 52722 1 709 . 1 . 1 490 490 LEU HD22 H 1 0.8549 0.0000 . 1 . . . . . 490 LEU HD21 . 52722 1 710 . 1 . 1 490 490 LEU HD23 H 1 0.8549 0.0000 . 1 . . . . . 490 LEU HD21 . 52722 1 711 . 1 . 1 490 490 LEU CD1 C 13 23.6727 0.0000 . 1 . . . . . 490 LEU CD1 . 52722 1 712 . 1 . 1 490 490 LEU CD2 C 13 25.0471 0.0000 . 1 . . . . . 490 LEU CD2 . 52722 1 713 . 1 . 1 494 494 ALA HB1 H 1 1.3884 0.0000 . 1 . . . . . 494 ALA HB1 . 52722 1 714 . 1 . 1 494 494 ALA HB2 H 1 1.3884 0.0000 . 1 . . . . . 494 ALA HB1 . 52722 1 715 . 1 . 1 494 494 ALA HB3 H 1 1.3884 0.0000 . 1 . . . . . 494 ALA HB1 . 52722 1 716 . 1 . 1 494 494 ALA CB C 13 19.3987 0.0000 . 1 . . . . . 494 ALA CB . 52722 1 717 . 1 . 1 512 512 ILE HD11 H 1 0.2289 0.0000 . 1 . . . . . 512 ILE HD11 . 52722 1 718 . 1 . 1 512 512 ILE HD12 H 1 0.2289 0.0000 . 1 . . . . . 512 ILE HD11 . 52722 1 719 . 1 . 1 512 512 ILE HD13 H 1 0.2289 0.0000 . 1 . . . . . 512 ILE HD11 . 52722 1 720 . 1 . 1 512 512 ILE CD1 C 13 9.1236 0.0000 . 1 . . . . . 512 ILE CD1 . 52722 1 721 . 1 . 1 515 515 VAL HG11 H 1 0.4203 0.0000 . 1 . . . . . 515 VAL HG11 . 52722 1 722 . 1 . 1 515 515 VAL HG12 H 1 0.4203 0.0000 . 1 . . . . . 515 VAL HG11 . 52722 1 723 . 1 . 1 515 515 VAL HG13 H 1 0.4203 0.0000 . 1 . . . . . 515 VAL HG11 . 52722 1 724 . 1 . 1 515 515 VAL HG21 H 1 0.5568 0.0000 . 1 . . . . . 515 VAL HG21 . 52722 1 725 . 1 . 1 515 515 VAL HG22 H 1 0.5568 0.0000 . 1 . . . . . 515 VAL HG21 . 52722 1 726 . 1 . 1 515 515 VAL HG23 H 1 0.5568 0.0000 . 1 . . . . . 515 VAL HG21 . 52722 1 727 . 1 . 1 515 515 VAL CG1 C 13 23.6232 0.0000 . 1 . . . . . 515 VAL CG1 . 52722 1 728 . 1 . 1 515 515 VAL CG2 C 13 23.1944 0.0000 . 1 . . . . . 515 VAL CG2 . 52722 1 729 . 1 . 1 517 517 ALA HB1 H 1 1.5235 0.0000 . 1 . . . . . 517 ALA HB1 . 52722 1 730 . 1 . 1 517 517 ALA HB2 H 1 1.5235 0.0000 . 1 . . . . . 517 ALA HB1 . 52722 1 731 . 1 . 1 517 517 ALA HB3 H 1 1.5235 0.0000 . 1 . . . . . 517 ALA HB1 . 52722 1 732 . 1 . 1 517 517 ALA CB C 13 18.0787 0.0000 . 1 . . . . . 517 ALA CB . 52722 1 733 . 1 . 1 518 518 LEU HD11 H 1 0.9867 0.0000 . 1 . . . . . 518 LEU HD11 . 52722 1 734 . 1 . 1 518 518 LEU HD12 H 1 0.9867 0.0000 . 1 . . . . . 518 LEU HD11 . 52722 1 735 . 1 . 1 518 518 LEU HD13 H 1 0.9867 0.0000 . 1 . . . . . 518 LEU HD11 . 52722 1 736 . 1 . 1 518 518 LEU HD21 H 1 1.1212 0.0000 . 1 . . . . . 518 LEU HD21 . 52722 1 737 . 1 . 1 518 518 LEU HD22 H 1 1.1212 0.0000 . 1 . . . . . 518 LEU HD21 . 52722 1 738 . 1 . 1 518 518 LEU HD23 H 1 1.1212 0.0000 . 1 . . . . . 518 LEU HD21 . 52722 1 739 . 1 . 1 518 518 LEU CD1 C 13 26.1867 0.0000 . 1 . . . . . 518 LEU CD1 . 52722 1 740 . 1 . 1 518 518 LEU CD2 C 13 23.7315 0.0000 . 1 . . . . . 518 LEU CD2 . 52722 1 741 . 1 . 1 519 519 LEU HD11 H 1 0.6284 0.0000 . 1 . . . . . 519 LEU HD11 . 52722 1 742 . 1 . 1 519 519 LEU HD12 H 1 0.6284 0.0000 . 1 . . . . . 519 LEU HD11 . 52722 1 743 . 1 . 1 519 519 LEU HD13 H 1 0.6284 0.0000 . 1 . . . . . 519 LEU HD11 . 52722 1 744 . 1 . 1 519 519 LEU HD21 H 1 0.4820 0.0000 . 1 . . . . . 519 LEU HD21 . 52722 1 745 . 1 . 1 519 519 LEU HD22 H 1 0.4820 0.0000 . 1 . . . . . 519 LEU HD21 . 52722 1 746 . 1 . 1 519 519 LEU HD23 H 1 0.4820 0.0000 . 1 . . . . . 519 LEU HD21 . 52722 1 747 . 1 . 1 519 519 LEU CD1 C 13 27.5488 0.0000 . 1 . . . . . 519 LEU CD1 . 52722 1 748 . 1 . 1 519 519 LEU CD2 C 13 26.1157 0.0000 . 1 . . . . . 519 LEU CD2 . 52722 1 749 . 1 . 1 523 523 VAL HG11 H 1 0.6219 0.0000 . 1 . . . . . 523 VAL HG11 . 52722 1 750 . 1 . 1 523 523 VAL HG12 H 1 0.6219 0.0000 . 1 . . . . . 523 VAL HG11 . 52722 1 751 . 1 . 1 523 523 VAL HG13 H 1 0.6219 0.0000 . 1 . . . . . 523 VAL HG11 . 52722 1 752 . 1 . 1 523 523 VAL CG1 C 13 18.6668 0.0000 . 1 . . . . . 523 VAL CG1 . 52722 1 753 . 1 . 1 526 526 VAL HG11 H 1 1.0238 0.0000 . 1 . . . . . 526 VAL HG11 . 52722 1 754 . 1 . 1 526 526 VAL HG12 H 1 1.0238 0.0000 . 1 . . . . . 526 VAL HG11 . 52722 1 755 . 1 . 1 526 526 VAL HG13 H 1 1.0238 0.0000 . 1 . . . . . 526 VAL HG11 . 52722 1 756 . 1 . 1 526 526 VAL HG21 H 1 0.7852 0.0000 . 1 . . . . . 526 VAL HG21 . 52722 1 757 . 1 . 1 526 526 VAL HG22 H 1 0.7852 0.0000 . 1 . . . . . 526 VAL HG21 . 52722 1 758 . 1 . 1 526 526 VAL HG23 H 1 0.7852 0.0000 . 1 . . . . . 526 VAL HG21 . 52722 1 759 . 1 . 1 526 526 VAL CG1 C 13 22.5873 0.0000 . 1 . . . . . 526 VAL CG1 . 52722 1 760 . 1 . 1 526 526 VAL CG2 C 13 21.2064 0.0000 . 1 . . . . . 526 VAL CG2 . 52722 1 761 . 1 . 1 528 528 LEU HD11 H 1 0.9615 0.0000 . 1 . . . . . 528 LEU HD11 . 52722 1 762 . 1 . 1 528 528 LEU HD12 H 1 0.9615 0.0000 . 1 . . . . . 528 LEU HD11 . 52722 1 763 . 1 . 1 528 528 LEU HD13 H 1 0.9615 0.0000 . 1 . . . . . 528 LEU HD11 . 52722 1 764 . 1 . 1 528 528 LEU CD1 C 13 25.1369 0.0000 . 1 . . . . . 528 LEU CD1 . 52722 1 765 . 1 . 1 529 529 THR HG21 H 1 0.8791 0.0000 . 1 . . . . . 529 THR HG21 . 52722 1 766 . 1 . 1 529 529 THR HG22 H 1 0.8791 0.0000 . 1 . . . . . 529 THR HG21 . 52722 1 767 . 1 . 1 529 529 THR HG23 H 1 0.8791 0.0000 . 1 . . . . . 529 THR HG21 . 52722 1 768 . 1 . 1 529 529 THR CG2 C 13 20.2280 0.0000 . 1 . . . . . 529 THR CG2 . 52722 1 769 . 1 . 1 533 533 THR HG21 H 1 1.1498 0.0000 . 1 . . . . . 533 THR HG21 . 52722 1 770 . 1 . 1 533 533 THR HG22 H 1 1.1498 0.0000 . 1 . . . . . 533 THR HG21 . 52722 1 771 . 1 . 1 533 533 THR HG23 H 1 1.1498 0.0000 . 1 . . . . . 533 THR HG21 . 52722 1 772 . 1 . 1 533 533 THR CG2 C 13 22.1290 0.0000 . 1 . . . . . 533 THR CG2 . 52722 1 773 . 1 . 1 535 535 THR HG21 H 1 1.2491 0.0000 . 1 . . . . . 535 THR HG21 . 52722 1 774 . 1 . 1 535 535 THR HG22 H 1 1.2491 0.0000 . 1 . . . . . 535 THR HG21 . 52722 1 775 . 1 . 1 535 535 THR HG23 H 1 1.2491 0.0000 . 1 . . . . . 535 THR HG21 . 52722 1 776 . 1 . 1 535 535 THR CG2 C 13 22.0213 0.0000 . 1 . . . . . 535 THR CG2 . 52722 1 777 . 1 . 1 537 537 ALA HB1 H 1 1.2284 0.0000 . 1 . . . . . 537 ALA HB1 . 52722 1 778 . 1 . 1 537 537 ALA HB2 H 1 1.2284 0.0000 . 1 . . . . . 537 ALA HB1 . 52722 1 779 . 1 . 1 537 537 ALA HB3 H 1 1.2284 0.0000 . 1 . . . . . 537 ALA HB1 . 52722 1 780 . 1 . 1 537 537 ALA CB C 13 23.6150 0.0000 . 1 . . . . . 537 ALA CB . 52722 1 781 . 1 . 1 539 539 VAL HG11 H 1 1.5594 0.0000 . 1 . . . . . 539 VAL HG11 . 52722 1 782 . 1 . 1 539 539 VAL HG12 H 1 1.5594 0.0000 . 1 . . . . . 539 VAL HG11 . 52722 1 783 . 1 . 1 539 539 VAL HG13 H 1 1.5594 0.0000 . 1 . . . . . 539 VAL HG11 . 52722 1 784 . 1 . 1 539 539 VAL HG21 H 1 0.2263 0.0000 . 1 . . . . . 539 VAL HG21 . 52722 1 785 . 1 . 1 539 539 VAL HG22 H 1 0.2263 0.0000 . 1 . . . . . 539 VAL HG21 . 52722 1 786 . 1 . 1 539 539 VAL HG23 H 1 0.2263 0.0000 . 1 . . . . . 539 VAL HG21 . 52722 1 787 . 1 . 1 539 539 VAL CG1 C 13 21.7471 0.0000 . 1 . . . . . 539 VAL CG1 . 52722 1 788 . 1 . 1 539 539 VAL CG2 C 13 17.8751 0.0000 . 1 . . . . . 539 VAL CG2 . 52722 1 789 . 1 . 1 541 541 THR HG21 H 1 1.1138 0.0000 . 1 . . . . . 541 THR HG21 . 52722 1 790 . 1 . 1 541 541 THR HG22 H 1 1.1138 0.0000 . 1 . . . . . 541 THR HG21 . 52722 1 791 . 1 . 1 541 541 THR HG23 H 1 1.1138 0.0000 . 1 . . . . . 541 THR HG21 . 52722 1 792 . 1 . 1 541 541 THR CG2 C 13 21.6000 0.0000 . 1 . . . . . 541 THR CG2 . 52722 1 793 . 1 . 1 546 546 MET HE1 H 1 1.9915 0.0000 . 1 . . . . . 546 MET HE1 . 52722 1 794 . 1 . 1 546 546 MET HE2 H 1 1.9915 0.0000 . 1 . . . . . 546 MET HE1 . 52722 1 795 . 1 . 1 546 546 MET HE3 H 1 1.9915 0.0000 . 1 . . . . . 546 MET HE1 . 52722 1 796 . 1 . 1 546 546 MET CE C 13 16.8234 0.0000 . 1 . . . . . 546 MET CE . 52722 1 797 . 1 . 1 548 548 THR HG21 H 1 0.9724 0.0000 . 1 . . . . . 548 THR HG21 . 52722 1 798 . 1 . 1 548 548 THR HG22 H 1 0.9724 0.0000 . 1 . . . . . 548 THR HG21 . 52722 1 799 . 1 . 1 548 548 THR HG23 H 1 0.9724 0.0000 . 1 . . . . . 548 THR HG21 . 52722 1 800 . 1 . 1 548 548 THR CG2 C 13 19.3940 0.0000 . 1 . . . . . 548 THR CG2 . 52722 1 801 . 1 . 1 550 550 MET HE1 H 1 2.0051 0.0000 . 1 . . . . . 550 MET HE1 . 52722 1 802 . 1 . 1 550 550 MET HE2 H 1 2.0051 0.0000 . 1 . . . . . 550 MET HE1 . 52722 1 803 . 1 . 1 550 550 MET HE3 H 1 2.0051 0.0000 . 1 . . . . . 550 MET HE1 . 52722 1 804 . 1 . 1 550 550 MET CE C 13 17.2508 0.0000 . 1 . . . . . 550 MET CE . 52722 1 805 . 1 . 1 551 551 ALA HB1 H 1 1.4868 0.0000 . 1 . . . . . 551 ALA HB1 . 52722 1 806 . 1 . 1 551 551 ALA HB2 H 1 1.4868 0.0000 . 1 . . . . . 551 ALA HB1 . 52722 1 807 . 1 . 1 551 551 ALA HB3 H 1 1.4868 0.0000 . 1 . . . . . 551 ALA HB1 . 52722 1 808 . 1 . 1 551 551 ALA CB C 13 18.2401 0.0000 . 1 . . . . . 551 ALA CB . 52722 1 809 . 1 . 1 555 555 ALA HB1 H 1 1.4747 0.0000 . 1 . . . . . 555 ALA HB1 . 52722 1 810 . 1 . 1 555 555 ALA HB2 H 1 1.4747 0.0000 . 1 . . . . . 555 ALA HB1 . 52722 1 811 . 1 . 1 555 555 ALA HB3 H 1 1.4747 0.0000 . 1 . . . . . 555 ALA HB1 . 52722 1 812 . 1 . 1 555 555 ALA CB C 13 18.4957 0.0000 . 1 . . . . . 555 ALA CB . 52722 1 813 . 1 . 1 557 557 ALA HB1 H 1 1.4644 0.0000 . 1 . . . . . 557 ALA HB1 . 52722 1 814 . 1 . 1 557 557 ALA HB2 H 1 1.4644 0.0000 . 1 . . . . . 557 ALA HB1 . 52722 1 815 . 1 . 1 557 557 ALA HB3 H 1 1.4644 0.0000 . 1 . . . . . 557 ALA HB1 . 52722 1 816 . 1 . 1 557 557 ALA CB C 13 18.8669 0.0000 . 1 . . . . . 557 ALA CB . 52722 1 817 . 1 . 1 561 561 VAL HG11 H 1 0.9396 0.0000 . 1 . . . . . 561 VAL HG11 . 52722 1 818 . 1 . 1 561 561 VAL HG12 H 1 0.9396 0.0000 . 1 . . . . . 561 VAL HG11 . 52722 1 819 . 1 . 1 561 561 VAL HG13 H 1 0.9396 0.0000 . 1 . . . . . 561 VAL HG11 . 52722 1 820 . 1 . 1 561 561 VAL CG1 C 13 20.3546 0.0000 . 1 . . . . . 561 VAL CG1 . 52722 1 821 . 1 . 1 564 564 VAL HG11 H 1 1.2595 0.0000 . 1 . . . . . 564 VAL HG11 . 52722 1 822 . 1 . 1 564 564 VAL HG12 H 1 1.2595 0.0000 . 1 . . . . . 564 VAL HG11 . 52722 1 823 . 1 . 1 564 564 VAL HG13 H 1 1.2595 0.0000 . 1 . . . . . 564 VAL HG11 . 52722 1 824 . 1 . 1 564 564 VAL HG21 H 1 0.6995 0.0000 . 1 . . . . . 564 VAL HG21 . 52722 1 825 . 1 . 1 564 564 VAL HG22 H 1 0.6995 0.0000 . 1 . . . . . 564 VAL HG21 . 52722 1 826 . 1 . 1 564 564 VAL HG23 H 1 0.6995 0.0000 . 1 . . . . . 564 VAL HG21 . 52722 1 827 . 1 . 1 564 564 VAL CG1 C 13 21.9703 0.0000 . 1 . . . . . 564 VAL CG1 . 52722 1 828 . 1 . 1 564 564 VAL CG2 C 13 21.1937 0.0000 . 1 . . . . . 564 VAL CG2 . 52722 1 829 . 1 . 1 567 567 ILE HD11 H 1 0.7576 0.0000 . 1 . . . . . 567 ILE HD11 . 52722 1 830 . 1 . 1 567 567 ILE HD12 H 1 0.7576 0.0000 . 1 . . . . . 567 ILE HD11 . 52722 1 831 . 1 . 1 567 567 ILE HD13 H 1 0.7576 0.0000 . 1 . . . . . 567 ILE HD11 . 52722 1 832 . 1 . 1 567 567 ILE CD1 C 13 13.5541 0.0000 . 1 . . . . . 567 ILE CD1 . 52722 1 833 . 1 . 1 570 570 LEU HD11 H 1 0.3945 0.0000 . 1 . . . . . 570 LEU HD11 . 52722 1 834 . 1 . 1 570 570 LEU HD12 H 1 0.3945 0.0000 . 1 . . . . . 570 LEU HD11 . 52722 1 835 . 1 . 1 570 570 LEU HD13 H 1 0.3945 0.0000 . 1 . . . . . 570 LEU HD11 . 52722 1 836 . 1 . 1 570 570 LEU CD1 C 13 26.1893 0.0000 . 1 . . . . . 570 LEU CD1 . 52722 1 837 . 1 . 1 575 575 VAL HG21 H 1 0.3722 0.0000 . 1 . . . . . 575 VAL HG21 . 52722 1 838 . 1 . 1 575 575 VAL HG22 H 1 0.3722 0.0000 . 1 . . . . . 575 VAL HG21 . 52722 1 839 . 1 . 1 575 575 VAL HG23 H 1 0.3722 0.0000 . 1 . . . . . 575 VAL HG21 . 52722 1 840 . 1 . 1 575 575 VAL CG2 C 13 20.8760 0.0000 . 1 . . . . . 575 VAL CG2 . 52722 1 841 . 1 . 1 576 576 LEU HD11 H 1 0.9082 0.0000 . 1 . . . . . 576 LEU HD11 . 52722 1 842 . 1 . 1 576 576 LEU HD12 H 1 0.9082 0.0000 . 1 . . . . . 576 LEU HD11 . 52722 1 843 . 1 . 1 576 576 LEU HD13 H 1 0.9082 0.0000 . 1 . . . . . 576 LEU HD11 . 52722 1 844 . 1 . 1 576 576 LEU CD1 C 13 25.9012 0.0000 . 1 . . . . . 576 LEU CD1 . 52722 1 845 . 1 . 1 577 577 VAL HG11 H 1 0.5451 0.0000 . 1 . . . . . 577 VAL HG11 . 52722 1 846 . 1 . 1 577 577 VAL HG12 H 1 0.5451 0.0000 . 1 . . . . . 577 VAL HG11 . 52722 1 847 . 1 . 1 577 577 VAL HG13 H 1 0.5451 0.0000 . 1 . . . . . 577 VAL HG11 . 52722 1 848 . 1 . 1 577 577 VAL CG1 C 13 22.6749 0.0000 . 1 . . . . . 577 VAL CG1 . 52722 1 849 . 1 . 1 580 580 ALA HB1 H 1 1.2975 0.0000 . 1 . . . . . 580 ALA HB1 . 52722 1 850 . 1 . 1 580 580 ALA HB2 H 1 1.2975 0.0000 . 1 . . . . . 580 ALA HB1 . 52722 1 851 . 1 . 1 580 580 ALA HB3 H 1 1.2975 0.0000 . 1 . . . . . 580 ALA HB1 . 52722 1 852 . 1 . 1 580 580 ALA CB C 13 17.2559 0.0000 . 1 . . . . . 580 ALA CB . 52722 1 853 . 1 . 1 593 593 VAL HG21 H 1 0.8198 0.0000 . 1 . . . . . 593 VAL HG21 . 52722 1 854 . 1 . 1 593 593 VAL HG22 H 1 0.8198 0.0000 . 1 . . . . . 593 VAL HG21 . 52722 1 855 . 1 . 1 593 593 VAL HG23 H 1 0.8198 0.0000 . 1 . . . . . 593 VAL HG21 . 52722 1 856 . 1 . 1 593 593 VAL CG2 C 13 22.9268 0.0000 . 1 . . . . . 593 VAL CG2 . 52722 1 857 . 1 . 1 595 595 LEU HD11 H 1 0.8864 0.0000 . 1 . . . . . 595 LEU HD11 . 52722 1 858 . 1 . 1 595 595 LEU HD12 H 1 0.8864 0.0000 . 1 . . . . . 595 LEU HD11 . 52722 1 859 . 1 . 1 595 595 LEU HD13 H 1 0.8864 0.0000 . 1 . . . . . 595 LEU HD11 . 52722 1 860 . 1 . 1 595 595 LEU CD1 C 13 26.1413 0.0000 . 1 . . . . . 595 LEU CD1 . 52722 1 861 . 1 . 1 597 597 LEU HD21 H 1 -0.1385 0.0000 . 1 . . . . . 597 LEU HD21 . 52722 1 862 . 1 . 1 597 597 LEU HD22 H 1 -0.1385 0.0000 . 1 . . . . . 597 LEU HD21 . 52722 1 863 . 1 . 1 597 597 LEU HD23 H 1 -0.1385 0.0000 . 1 . . . . . 597 LEU HD21 . 52722 1 864 . 1 . 1 597 597 LEU CD2 C 13 21.0368 0.0000 . 1 . . . . . 597 LEU CD2 . 52722 1 865 . 1 . 1 600 600 ALA HB1 H 1 1.5457 0.0000 . 1 . . . . . 600 ALA HB1 . 52722 1 866 . 1 . 1 600 600 ALA HB2 H 1 1.5457 0.0000 . 1 . . . . . 600 ALA HB1 . 52722 1 867 . 1 . 1 600 600 ALA HB3 H 1 1.5457 0.0000 . 1 . . . . . 600 ALA HB1 . 52722 1 868 . 1 . 1 600 600 ALA CB C 13 17.9959 0.0000 . 1 . . . . . 600 ALA CB . 52722 1 869 . 1 . 1 602 602 LEU HD11 H 1 0.3406 0.0000 . 1 . . . . . 602 LEU HD11 . 52722 1 870 . 1 . 1 602 602 LEU HD12 H 1 0.3406 0.0000 . 1 . . . . . 602 LEU HD11 . 52722 1 871 . 1 . 1 602 602 LEU HD13 H 1 0.3406 0.0000 . 1 . . . . . 602 LEU HD11 . 52722 1 872 . 1 . 1 602 602 LEU CD1 C 13 26.5449 0.0000 . 1 . . . . . 602 LEU CD1 . 52722 1 873 . 1 . 1 603 603 ALA HB1 H 1 1.5224 0.0000 . 1 . . . . . 603 ALA HB1 . 52722 1 874 . 1 . 1 603 603 ALA HB2 H 1 1.5224 0.0000 . 1 . . . . . 603 ALA HB1 . 52722 1 875 . 1 . 1 603 603 ALA HB3 H 1 1.5224 0.0000 . 1 . . . . . 603 ALA HB1 . 52722 1 876 . 1 . 1 603 603 ALA CB C 13 18.5856 0.0000 . 1 . . . . . 603 ALA CB . 52722 1 877 . 1 . 1 608 608 LEU HD11 H 1 0.5512 0.0000 . 1 . . . . . 608 LEU HD11 . 52722 1 878 . 1 . 1 608 608 LEU HD12 H 1 0.5512 0.0000 . 1 . . . . . 608 LEU HD11 . 52722 1 879 . 1 . 1 608 608 LEU HD13 H 1 0.5512 0.0000 . 1 . . . . . 608 LEU HD11 . 52722 1 880 . 1 . 1 608 608 LEU CD1 C 13 21.6905 0.0000 . 1 . . . . . 608 LEU CD1 . 52722 1 881 . 1 . 1 613 613 LEU HD21 H 1 0.9213 0.0000 . 1 . . . . . 613 LEU HD21 . 52722 1 882 . 1 . 1 613 613 LEU HD22 H 1 0.9213 0.0000 . 1 . . . . . 613 LEU HD21 . 52722 1 883 . 1 . 1 613 613 LEU HD23 H 1 0.9213 0.0000 . 1 . . . . . 613 LEU HD21 . 52722 1 884 . 1 . 1 613 613 LEU CD2 C 13 23.5129 0.0000 . 1 . . . . . 613 LEU CD2 . 52722 1 885 . 1 . 1 615 615 ILE HD11 H 1 0.9768 0.0000 . 1 . . . . . 615 ILE HD11 . 52722 1 886 . 1 . 1 615 615 ILE HD12 H 1 0.9768 0.0000 . 1 . . . . . 615 ILE HD11 . 52722 1 887 . 1 . 1 615 615 ILE HD13 H 1 0.9768 0.0000 . 1 . . . . . 615 ILE HD11 . 52722 1 888 . 1 . 1 615 615 ILE CD1 C 13 14.2640 0.0000 . 1 . . . . . 615 ILE CD1 . 52722 1 889 . 1 . 1 618 618 MET HE1 H 1 1.4611 0.0000 . 1 . . . . . 618 MET HE1 . 52722 1 890 . 1 . 1 618 618 MET HE2 H 1 1.4611 0.0000 . 1 . . . . . 618 MET HE1 . 52722 1 891 . 1 . 1 618 618 MET HE3 H 1 1.4611 0.0000 . 1 . . . . . 618 MET HE1 . 52722 1 892 . 1 . 1 618 618 MET CE C 13 16.7684 0.0000 . 1 . . . . . 618 MET CE . 52722 1 893 . 1 . 1 621 621 LEU HD11 H 1 -0.0849 0.0000 . 1 . . . . . 621 LEU HD11 . 52722 1 894 . 1 . 1 621 621 LEU HD12 H 1 -0.0849 0.0000 . 1 . . . . . 621 LEU HD11 . 52722 1 895 . 1 . 1 621 621 LEU HD13 H 1 -0.0849 0.0000 . 1 . . . . . 621 LEU HD11 . 52722 1 896 . 1 . 1 621 621 LEU HD21 H 1 -0.0427 0.0000 . 1 . . . . . 621 LEU HD21 . 52722 1 897 . 1 . 1 621 621 LEU HD22 H 1 -0.0427 0.0000 . 1 . . . . . 621 LEU HD21 . 52722 1 898 . 1 . 1 621 621 LEU HD23 H 1 -0.0427 0.0000 . 1 . . . . . 621 LEU HD21 . 52722 1 899 . 1 . 1 621 621 LEU CD1 C 13 25.2996 0.0000 . 1 . . . . . 621 LEU CD1 . 52722 1 900 . 1 . 1 621 621 LEU CD2 C 13 20.9826 0.0000 . 1 . . . . . 621 LEU CD2 . 52722 1 901 . 1 . 1 623 623 VAL HG11 H 1 0.9850 0.0000 . 1 . . . . . 623 VAL HG11 . 52722 1 902 . 1 . 1 623 623 VAL HG12 H 1 0.9850 0.0000 . 1 . . . . . 623 VAL HG11 . 52722 1 903 . 1 . 1 623 623 VAL HG13 H 1 0.9850 0.0000 . 1 . . . . . 623 VAL HG11 . 52722 1 904 . 1 . 1 623 623 VAL HG21 H 1 0.9165 0.0000 . 1 . . . . . 623 VAL HG21 . 52722 1 905 . 1 . 1 623 623 VAL HG22 H 1 0.9165 0.0000 . 1 . . . . . 623 VAL HG21 . 52722 1 906 . 1 . 1 623 623 VAL HG23 H 1 0.9165 0.0000 . 1 . . . . . 623 VAL HG21 . 52722 1 907 . 1 . 1 623 623 VAL CG1 C 13 19.9676 0.0000 . 1 . . . . . 623 VAL CG1 . 52722 1 908 . 1 . 1 623 623 VAL CG2 C 13 21.4540 0.0000 . 1 . . . . . 623 VAL CG2 . 52722 1 stop_ save_