data_52958 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52958 _Entry.Title ; DnaKADP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-09 _Entry.Accession_date 2025-03-09 _Entry.Last_release_date 2025-03-10 _Entry.Original_release_date 2025-03-10 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yajun Jiang . . . . 52958 2 Ziad Ibrahim . . . . 52958 3 Mary Clay . . . . 52958 4 Youlin Xia . . . . 52958 5 Babis Kalodimos . . . . 52958 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "Kalodimos group, St Jude Children's Research Hospital" . 52958 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52958 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 52958 '1H chemical shifts' 1002 52958 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 . . 2025-10-20 . original BMRB . 52958 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52955 DnaJ 52958 BMRB 52956 DnaKNBD 52958 BMRB 52957 K615MGGADP 52958 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52958 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41092901 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanisms of assembly and function of the Hsp70-Hsp40 chaperone machinery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2025 _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 Yajun Jiang Y. . . . 52958 1 2 Ziad Ibrahim Z. . . . 52958 1 3 Youlin Xia Y. . . . 52958 1 4 Mary Clay M. . . . 52958 1 5 Alexander Myasnikov A. . . . 52958 1 6 Kalyan Immadisetty K. . . . 52958 1 7 Zhilian Xia Z. . . . 52958 1 8 Liang Tang L. . . . 52958 1 9 Paolo Rossi P. . . . 52958 1 10 Pritha Ganguly P. . . . 52958 1 11 Jiangshu Liu J. . . . 52958 1 12 Darcie Miller D. . . . 52958 1 13 Meixia Che M. . . . 52958 1 14 Santiago Palacios S. M. . . 52958 1 15 Gunter Kramer G. . . . 52958 1 16 Bernd Bukau B. . . . 52958 1 17 Charalampos Kalodimos C. G. . . 52958 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52958 _Assembly.ID 1 _Assembly.Name DnaKADP _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 DnaK 1 $entity_1 . . yes native no no . . . 52958 1 2 ADP 2 $entity_ADP . . no native no no . . . 52958 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52958 _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 ; MAKAVGIDLGTTNSVIAVLE GGKPVVLENAEGERVTPSVV AFRDGETLVGRMAKRQAVLN PEGTIFEIKRFIGRRFEEVQ EEAKRVPYKVVPGPDGGVRV EVKGKLYTPEEISAMILRKL VEDASKKLGEKITKAVITVP AYFNNAQREATANAGRIAGL EVLRIINEPTAAALAYGLDK KGNETVLVFDLGGGTFDVTI LEIGEGVFEVKATSGDTHLG GSDMDHAIVNWLAEEFKKEH GVDLKADRQALQRLIEAAEK AKIELSSTLETTISLPFIAL DPASKTPLHLEKKLTRAKFE ELIQPLLKRLRGPVEQALKD AGLTPAQIDEVILVGGATRV PAVQQVVRELLGKEPNRSVN PDEVVAMGAAIQAGVLMGEV RDVVLLDVTPLSLGVETKGG VMTVLIPRNTTIPTRKCEIF TTAEHNQTAVEIHVLQGERP MAQDNKSLGRFRLEGIPPMP AGVPQIEVCFDIDANGILHV TAKERSTGREASITIQNTTT LSEEEIQRIIEEAKRHAEED RRRREHAELKNALDSARVQA ERVLQERQGAPEARARLEAA IGKAKELVERDAPDPELKAA TEELLKAVEEYEKGAQAASG KGPDDVIDADYKPAD ; _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 615 _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 . 52958 1 2 . ALA . 52958 1 3 . LYS . 52958 1 4 . ALA . 52958 1 5 . VAL . 52958 1 6 . GLY . 52958 1 7 . ILE . 52958 1 8 . ASP . 52958 1 9 . LEU . 52958 1 10 . GLY . 52958 1 11 . THR . 52958 1 12 . THR . 52958 1 13 . ASN . 52958 1 14 . SER . 52958 1 15 . VAL . 52958 1 16 . ILE . 52958 1 17 . ALA . 52958 1 18 . VAL . 52958 1 19 . LEU . 52958 1 20 . GLU . 52958 1 21 . GLY . 52958 1 22 . GLY . 52958 1 23 . LYS . 52958 1 24 . PRO . 52958 1 25 . VAL . 52958 1 26 . VAL . 52958 1 27 . LEU . 52958 1 28 . GLU . 52958 1 29 . ASN . 52958 1 30 . ALA . 52958 1 31 . GLU . 52958 1 32 . GLY . 52958 1 33 . GLU . 52958 1 34 . ARG . 52958 1 35 . VAL . 52958 1 36 . THR . 52958 1 37 . PRO . 52958 1 38 . SER . 52958 1 39 . VAL . 52958 1 40 . VAL . 52958 1 41 . ALA . 52958 1 42 . PHE . 52958 1 43 . ARG . 52958 1 44 . ASP . 52958 1 45 . GLY . 52958 1 46 . GLU . 52958 1 47 . THR . 52958 1 48 . LEU . 52958 1 49 . VAL . 52958 1 50 . GLY . 52958 1 51 . ARG . 52958 1 52 . MET . 52958 1 53 . ALA . 52958 1 54 . LYS . 52958 1 55 . ARG . 52958 1 56 . GLN . 52958 1 57 . ALA . 52958 1 58 . VAL . 52958 1 59 . LEU . 52958 1 60 . ASN . 52958 1 61 . PRO . 52958 1 62 . GLU . 52958 1 63 . GLY . 52958 1 64 . THR . 52958 1 65 . ILE . 52958 1 66 . PHE . 52958 1 67 . GLU . 52958 1 68 . ILE . 52958 1 69 . LYS . 52958 1 70 . ARG . 52958 1 71 . PHE . 52958 1 72 . ILE . 52958 1 73 . GLY . 52958 1 74 . ARG . 52958 1 75 . ARG . 52958 1 76 . PHE . 52958 1 77 . GLU . 52958 1 78 . GLU . 52958 1 79 . VAL . 52958 1 80 . GLN . 52958 1 81 . GLU . 52958 1 82 . GLU . 52958 1 83 . ALA . 52958 1 84 . LYS . 52958 1 85 . ARG . 52958 1 86 . VAL . 52958 1 87 . PRO . 52958 1 88 . TYR . 52958 1 89 . LYS . 52958 1 90 . VAL . 52958 1 91 . VAL . 52958 1 92 . PRO . 52958 1 93 . GLY . 52958 1 94 . PRO . 52958 1 95 . ASP . 52958 1 96 . GLY . 52958 1 97 . GLY . 52958 1 98 . VAL . 52958 1 99 . ARG . 52958 1 100 . VAL . 52958 1 101 . GLU . 52958 1 102 . VAL . 52958 1 103 . LYS . 52958 1 104 . GLY . 52958 1 105 . LYS . 52958 1 106 . LEU . 52958 1 107 . TYR . 52958 1 108 . THR . 52958 1 109 . PRO . 52958 1 110 . GLU . 52958 1 111 . GLU . 52958 1 112 . ILE . 52958 1 113 . SER . 52958 1 114 . ALA . 52958 1 115 . MET . 52958 1 116 . ILE . 52958 1 117 . LEU . 52958 1 118 . ARG . 52958 1 119 . LYS . 52958 1 120 . LEU . 52958 1 121 . VAL . 52958 1 122 . GLU . 52958 1 123 . ASP . 52958 1 124 . ALA . 52958 1 125 . SER . 52958 1 126 . LYS . 52958 1 127 . LYS . 52958 1 128 . LEU . 52958 1 129 . GLY . 52958 1 130 . GLU . 52958 1 131 . LYS . 52958 1 132 . ILE . 52958 1 133 . THR . 52958 1 134 . LYS . 52958 1 135 . ALA . 52958 1 136 . VAL . 52958 1 137 . ILE . 52958 1 138 . THR . 52958 1 139 . VAL . 52958 1 140 . PRO . 52958 1 141 . ALA . 52958 1 142 . TYR . 52958 1 143 . PHE . 52958 1 144 . ASN . 52958 1 145 . ASN . 52958 1 146 . ALA . 52958 1 147 . GLN . 52958 1 148 . ARG . 52958 1 149 . GLU . 52958 1 150 . ALA . 52958 1 151 . THR . 52958 1 152 . ALA . 52958 1 153 . ASN . 52958 1 154 . ALA . 52958 1 155 . GLY . 52958 1 156 . ARG . 52958 1 157 . ILE . 52958 1 158 . ALA . 52958 1 159 . GLY . 52958 1 160 . LEU . 52958 1 161 . GLU . 52958 1 162 . VAL . 52958 1 163 . LEU . 52958 1 164 . ARG . 52958 1 165 . ILE . 52958 1 166 . ILE . 52958 1 167 . ASN . 52958 1 168 . GLU . 52958 1 169 . PRO . 52958 1 170 . THR . 52958 1 171 . ALA . 52958 1 172 . ALA . 52958 1 173 . ALA . 52958 1 174 . LEU . 52958 1 175 . ALA . 52958 1 176 . TYR . 52958 1 177 . GLY . 52958 1 178 . LEU . 52958 1 179 . ASP . 52958 1 180 . LYS . 52958 1 181 . LYS . 52958 1 182 . GLY . 52958 1 183 . ASN . 52958 1 184 . GLU . 52958 1 185 . THR . 52958 1 186 . VAL . 52958 1 187 . LEU . 52958 1 188 . VAL . 52958 1 189 . PHE . 52958 1 190 . ASP . 52958 1 191 . LEU . 52958 1 192 . GLY . 52958 1 193 . GLY . 52958 1 194 . GLY . 52958 1 195 . THR . 52958 1 196 . PHE . 52958 1 197 . ASP . 52958 1 198 . VAL . 52958 1 199 . THR . 52958 1 200 . ILE . 52958 1 201 . LEU . 52958 1 202 . GLU . 52958 1 203 . ILE . 52958 1 204 . GLY . 52958 1 205 . GLU . 52958 1 206 . GLY . 52958 1 207 . VAL . 52958 1 208 . PHE . 52958 1 209 . GLU . 52958 1 210 . VAL . 52958 1 211 . LYS . 52958 1 212 . ALA . 52958 1 213 . THR . 52958 1 214 . SER . 52958 1 215 . GLY . 52958 1 216 . ASP . 52958 1 217 . THR . 52958 1 218 . HIS . 52958 1 219 . LEU . 52958 1 220 . GLY . 52958 1 221 . GLY . 52958 1 222 . SER . 52958 1 223 . ASP . 52958 1 224 . MET . 52958 1 225 . ASP . 52958 1 226 . HIS . 52958 1 227 . ALA . 52958 1 228 . ILE . 52958 1 229 . VAL . 52958 1 230 . ASN . 52958 1 231 . TRP . 52958 1 232 . LEU . 52958 1 233 . ALA . 52958 1 234 . GLU . 52958 1 235 . GLU . 52958 1 236 . PHE . 52958 1 237 . LYS . 52958 1 238 . LYS . 52958 1 239 . GLU . 52958 1 240 . HIS . 52958 1 241 . GLY . 52958 1 242 . VAL . 52958 1 243 . ASP . 52958 1 244 . LEU . 52958 1 245 . LYS . 52958 1 246 . ALA . 52958 1 247 . ASP . 52958 1 248 . ARG . 52958 1 249 . GLN . 52958 1 250 . ALA . 52958 1 251 . LEU . 52958 1 252 . GLN . 52958 1 253 . ARG . 52958 1 254 . LEU . 52958 1 255 . ILE . 52958 1 256 . GLU . 52958 1 257 . ALA . 52958 1 258 . ALA . 52958 1 259 . GLU . 52958 1 260 . LYS . 52958 1 261 . ALA . 52958 1 262 . LYS . 52958 1 263 . ILE . 52958 1 264 . GLU . 52958 1 265 . LEU . 52958 1 266 . SER . 52958 1 267 . SER . 52958 1 268 . THR . 52958 1 269 . LEU . 52958 1 270 . GLU . 52958 1 271 . THR . 52958 1 272 . THR . 52958 1 273 . ILE . 52958 1 274 . SER . 52958 1 275 . LEU . 52958 1 276 . PRO . 52958 1 277 . PHE . 52958 1 278 . ILE . 52958 1 279 . ALA . 52958 1 280 . LEU . 52958 1 281 . ASP . 52958 1 282 . PRO . 52958 1 283 . ALA . 52958 1 284 . SER . 52958 1 285 . LYS . 52958 1 286 . THR . 52958 1 287 . PRO . 52958 1 288 . LEU . 52958 1 289 . HIS . 52958 1 290 . LEU . 52958 1 291 . GLU . 52958 1 292 . LYS . 52958 1 293 . LYS . 52958 1 294 . LEU . 52958 1 295 . THR . 52958 1 296 . ARG . 52958 1 297 . ALA . 52958 1 298 . LYS . 52958 1 299 . PHE . 52958 1 300 . GLU . 52958 1 301 . GLU . 52958 1 302 . LEU . 52958 1 303 . ILE . 52958 1 304 . GLN . 52958 1 305 . PRO . 52958 1 306 . LEU . 52958 1 307 . LEU . 52958 1 308 . LYS . 52958 1 309 . ARG . 52958 1 310 . LEU . 52958 1 311 . ARG . 52958 1 312 . GLY . 52958 1 313 . PRO . 52958 1 314 . VAL . 52958 1 315 . GLU . 52958 1 316 . GLN . 52958 1 317 . ALA . 52958 1 318 . LEU . 52958 1 319 . LYS . 52958 1 320 . ASP . 52958 1 321 . ALA . 52958 1 322 . GLY . 52958 1 323 . LEU . 52958 1 324 . THR . 52958 1 325 . PRO . 52958 1 326 . ALA . 52958 1 327 . GLN . 52958 1 328 . ILE . 52958 1 329 . ASP . 52958 1 330 . GLU . 52958 1 331 . VAL . 52958 1 332 . ILE . 52958 1 333 . LEU . 52958 1 334 . VAL . 52958 1 335 . GLY . 52958 1 336 . GLY . 52958 1 337 . ALA . 52958 1 338 . THR . 52958 1 339 . ARG . 52958 1 340 . VAL . 52958 1 341 . PRO . 52958 1 342 . ALA . 52958 1 343 . VAL . 52958 1 344 . GLN . 52958 1 345 . GLN . 52958 1 346 . VAL . 52958 1 347 . VAL . 52958 1 348 . ARG . 52958 1 349 . GLU . 52958 1 350 . LEU . 52958 1 351 . LEU . 52958 1 352 . GLY . 52958 1 353 . LYS . 52958 1 354 . GLU . 52958 1 355 . PRO . 52958 1 356 . ASN . 52958 1 357 . ARG . 52958 1 358 . SER . 52958 1 359 . VAL . 52958 1 360 . ASN . 52958 1 361 . PRO . 52958 1 362 . ASP . 52958 1 363 . GLU . 52958 1 364 . VAL . 52958 1 365 . VAL . 52958 1 366 . ALA . 52958 1 367 . MET . 52958 1 368 . GLY . 52958 1 369 . ALA . 52958 1 370 . ALA . 52958 1 371 . ILE . 52958 1 372 . GLN . 52958 1 373 . ALA . 52958 1 374 . GLY . 52958 1 375 . VAL . 52958 1 376 . LEU . 52958 1 377 . MET . 52958 1 378 . GLY . 52958 1 379 . GLU . 52958 1 380 . VAL . 52958 1 381 . ARG . 52958 1 382 . ASP . 52958 1 383 . VAL . 52958 1 384 . VAL . 52958 1 385 . LEU . 52958 1 386 . LEU . 52958 1 387 . ASP . 52958 1 388 . VAL . 52958 1 389 . THR . 52958 1 390 . PRO . 52958 1 391 . LEU . 52958 1 392 . SER . 52958 1 393 . LEU . 52958 1 394 . GLY . 52958 1 395 . VAL . 52958 1 396 . GLU . 52958 1 397 . THR . 52958 1 398 . LYS . 52958 1 399 . GLY . 52958 1 400 . GLY . 52958 1 401 . VAL . 52958 1 402 . MET . 52958 1 403 . THR . 52958 1 404 . VAL . 52958 1 405 . LEU . 52958 1 406 . ILE . 52958 1 407 . PRO . 52958 1 408 . ARG . 52958 1 409 . ASN . 52958 1 410 . THR . 52958 1 411 . THR . 52958 1 412 . ILE . 52958 1 413 . PRO . 52958 1 414 . THR . 52958 1 415 . ARG . 52958 1 416 . LYS . 52958 1 417 . CYS . 52958 1 418 . GLU . 52958 1 419 . ILE . 52958 1 420 . PHE . 52958 1 421 . THR . 52958 1 422 . THR . 52958 1 423 . ALA . 52958 1 424 . GLU . 52958 1 425 . HIS . 52958 1 426 . ASN . 52958 1 427 . GLN . 52958 1 428 . THR . 52958 1 429 . ALA . 52958 1 430 . VAL . 52958 1 431 . GLU . 52958 1 432 . ILE . 52958 1 433 . HIS . 52958 1 434 . VAL . 52958 1 435 . LEU . 52958 1 436 . GLN . 52958 1 437 . GLY . 52958 1 438 . GLU . 52958 1 439 . ARG . 52958 1 440 . PRO . 52958 1 441 . MET . 52958 1 442 . ALA . 52958 1 443 . GLN . 52958 1 444 . ASP . 52958 1 445 . ASN . 52958 1 446 . LYS . 52958 1 447 . SER . 52958 1 448 . LEU . 52958 1 449 . GLY . 52958 1 450 . ARG . 52958 1 451 . PHE . 52958 1 452 . ARG . 52958 1 453 . LEU . 52958 1 454 . GLU . 52958 1 455 . GLY . 52958 1 456 . ILE . 52958 1 457 . PRO . 52958 1 458 . PRO . 52958 1 459 . MET . 52958 1 460 . PRO . 52958 1 461 . ALA . 52958 1 462 . GLY . 52958 1 463 . VAL . 52958 1 464 . PRO . 52958 1 465 . GLN . 52958 1 466 . ILE . 52958 1 467 . GLU . 52958 1 468 . VAL . 52958 1 469 . CYS . 52958 1 470 . PHE . 52958 1 471 . ASP . 52958 1 472 . ILE . 52958 1 473 . ASP . 52958 1 474 . ALA . 52958 1 475 . ASN . 52958 1 476 . GLY . 52958 1 477 . ILE . 52958 1 478 . LEU . 52958 1 479 . HIS . 52958 1 480 . VAL . 52958 1 481 . THR . 52958 1 482 . ALA . 52958 1 483 . LYS . 52958 1 484 . GLU . 52958 1 485 . ARG . 52958 1 486 . SER . 52958 1 487 . THR . 52958 1 488 . GLY . 52958 1 489 . ARG . 52958 1 490 . GLU . 52958 1 491 . ALA . 52958 1 492 . SER . 52958 1 493 . ILE . 52958 1 494 . THR . 52958 1 495 . ILE . 52958 1 496 . GLN . 52958 1 497 . ASN . 52958 1 498 . THR . 52958 1 499 . THR . 52958 1 500 . THR . 52958 1 501 . LEU . 52958 1 502 . SER . 52958 1 503 . GLU . 52958 1 504 . GLU . 52958 1 505 . GLU . 52958 1 506 . ILE . 52958 1 507 . GLN . 52958 1 508 . ARG . 52958 1 509 . ILE . 52958 1 510 . ILE . 52958 1 511 . GLU . 52958 1 512 . GLU . 52958 1 513 . ALA . 52958 1 514 . LYS . 52958 1 515 . ARG . 52958 1 516 . HIS . 52958 1 517 . ALA . 52958 1 518 . GLU . 52958 1 519 . GLU . 52958 1 520 . ASP . 52958 1 521 . ARG . 52958 1 522 . ARG . 52958 1 523 . ARG . 52958 1 524 . ARG . 52958 1 525 . GLU . 52958 1 526 . HIS . 52958 1 527 . ALA . 52958 1 528 . GLU . 52958 1 529 . LEU . 52958 1 530 . LYS . 52958 1 531 . ASN . 52958 1 532 . ALA . 52958 1 533 . LEU . 52958 1 534 . ASP . 52958 1 535 . SER . 52958 1 536 . ALA . 52958 1 537 . ARG . 52958 1 538 . VAL . 52958 1 539 . GLN . 52958 1 540 . ALA . 52958 1 541 . GLU . 52958 1 542 . ARG . 52958 1 543 . VAL . 52958 1 544 . LEU . 52958 1 545 . GLN . 52958 1 546 . GLU . 52958 1 547 . ARG . 52958 1 548 . GLN . 52958 1 549 . GLY . 52958 1 550 . ALA . 52958 1 551 . PRO . 52958 1 552 . GLU . 52958 1 553 . ALA . 52958 1 554 . ARG . 52958 1 555 . ALA . 52958 1 556 . ARG . 52958 1 557 . LEU . 52958 1 558 . GLU . 52958 1 559 . ALA . 52958 1 560 . ALA . 52958 1 561 . ILE . 52958 1 562 . GLY . 52958 1 563 . LYS . 52958 1 564 . ALA . 52958 1 565 . LYS . 52958 1 566 . GLU . 52958 1 567 . LEU . 52958 1 568 . VAL . 52958 1 569 . GLU . 52958 1 570 . ARG . 52958 1 571 . ASP . 52958 1 572 . ALA . 52958 1 573 . PRO . 52958 1 574 . ASP . 52958 1 575 . PRO . 52958 1 576 . GLU . 52958 1 577 . LEU . 52958 1 578 . LYS . 52958 1 579 . ALA . 52958 1 580 . ALA . 52958 1 581 . THR . 52958 1 582 . GLU . 52958 1 583 . GLU . 52958 1 584 . LEU . 52958 1 585 . LEU . 52958 1 586 . LYS . 52958 1 587 . ALA . 52958 1 588 . VAL . 52958 1 589 . GLU . 52958 1 590 . GLU . 52958 1 591 . TYR . 52958 1 592 . GLU . 52958 1 593 . LYS . 52958 1 594 . GLY . 52958 1 595 . ALA . 52958 1 596 . GLN . 52958 1 597 . ALA . 52958 1 598 . ALA . 52958 1 599 . SER . 52958 1 600 . GLY . 52958 1 601 . LYS . 52958 1 602 . GLY . 52958 1 603 . PRO . 52958 1 604 . ASP . 52958 1 605 . ASP . 52958 1 606 . VAL . 52958 1 607 . ILE . 52958 1 608 . ASP . 52958 1 609 . ALA . 52958 1 610 . ASP . 52958 1 611 . TYR . 52958 1 612 . LYS . 52958 1 613 . PRO . 52958 1 614 . ALA . 52958 1 615 . ASP . 52958 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 52958 1 . ALA 2 2 52958 1 . LYS 3 3 52958 1 . ALA 4 4 52958 1 . VAL 5 5 52958 1 . GLY 6 6 52958 1 . ILE 7 7 52958 1 . ASP 8 8 52958 1 . LEU 9 9 52958 1 . GLY 10 10 52958 1 . THR 11 11 52958 1 . THR 12 12 52958 1 . ASN 13 13 52958 1 . SER 14 14 52958 1 . VAL 15 15 52958 1 . ILE 16 16 52958 1 . ALA 17 17 52958 1 . VAL 18 18 52958 1 . LEU 19 19 52958 1 . GLU 20 20 52958 1 . GLY 21 21 52958 1 . GLY 22 22 52958 1 . LYS 23 23 52958 1 . PRO 24 24 52958 1 . VAL 25 25 52958 1 . VAL 26 26 52958 1 . LEU 27 27 52958 1 . GLU 28 28 52958 1 . ASN 29 29 52958 1 . ALA 30 30 52958 1 . GLU 31 31 52958 1 . GLY 32 32 52958 1 . GLU 33 33 52958 1 . ARG 34 34 52958 1 . VAL 35 35 52958 1 . THR 36 36 52958 1 . PRO 37 37 52958 1 . SER 38 38 52958 1 . VAL 39 39 52958 1 . VAL 40 40 52958 1 . ALA 41 41 52958 1 . PHE 42 42 52958 1 . ARG 43 43 52958 1 . ASP 44 44 52958 1 . GLY 45 45 52958 1 . GLU 46 46 52958 1 . THR 47 47 52958 1 . LEU 48 48 52958 1 . VAL 49 49 52958 1 . GLY 50 50 52958 1 . ARG 51 51 52958 1 . MET 52 52 52958 1 . ALA 53 53 52958 1 . LYS 54 54 52958 1 . ARG 55 55 52958 1 . GLN 56 56 52958 1 . ALA 57 57 52958 1 . VAL 58 58 52958 1 . LEU 59 59 52958 1 . ASN 60 60 52958 1 . PRO 61 61 52958 1 . GLU 62 62 52958 1 . GLY 63 63 52958 1 . THR 64 64 52958 1 . ILE 65 65 52958 1 . PHE 66 66 52958 1 . GLU 67 67 52958 1 . ILE 68 68 52958 1 . LYS 69 69 52958 1 . ARG 70 70 52958 1 . PHE 71 71 52958 1 . ILE 72 72 52958 1 . GLY 73 73 52958 1 . ARG 74 74 52958 1 . ARG 75 75 52958 1 . PHE 76 76 52958 1 . GLU 77 77 52958 1 . GLU 78 78 52958 1 . VAL 79 79 52958 1 . GLN 80 80 52958 1 . GLU 81 81 52958 1 . GLU 82 82 52958 1 . ALA 83 83 52958 1 . LYS 84 84 52958 1 . ARG 85 85 52958 1 . VAL 86 86 52958 1 . PRO 87 87 52958 1 . TYR 88 88 52958 1 . LYS 89 89 52958 1 . VAL 90 90 52958 1 . VAL 91 91 52958 1 . PRO 92 92 52958 1 . GLY 93 93 52958 1 . PRO 94 94 52958 1 . ASP 95 95 52958 1 . GLY 96 96 52958 1 . GLY 97 97 52958 1 . VAL 98 98 52958 1 . ARG 99 99 52958 1 . VAL 100 100 52958 1 . GLU 101 101 52958 1 . VAL 102 102 52958 1 . LYS 103 103 52958 1 . GLY 104 104 52958 1 . LYS 105 105 52958 1 . LEU 106 106 52958 1 . TYR 107 107 52958 1 . THR 108 108 52958 1 . PRO 109 109 52958 1 . GLU 110 110 52958 1 . GLU 111 111 52958 1 . ILE 112 112 52958 1 . SER 113 113 52958 1 . ALA 114 114 52958 1 . MET 115 115 52958 1 . ILE 116 116 52958 1 . LEU 117 117 52958 1 . ARG 118 118 52958 1 . LYS 119 119 52958 1 . LEU 120 120 52958 1 . VAL 121 121 52958 1 . GLU 122 122 52958 1 . ASP 123 123 52958 1 . ALA 124 124 52958 1 . SER 125 125 52958 1 . LYS 126 126 52958 1 . LYS 127 127 52958 1 . LEU 128 128 52958 1 . GLY 129 129 52958 1 . GLU 130 130 52958 1 . LYS 131 131 52958 1 . ILE 132 132 52958 1 . THR 133 133 52958 1 . LYS 134 134 52958 1 . ALA 135 135 52958 1 . VAL 136 136 52958 1 . ILE 137 137 52958 1 . THR 138 138 52958 1 . VAL 139 139 52958 1 . PRO 140 140 52958 1 . ALA 141 141 52958 1 . TYR 142 142 52958 1 . PHE 143 143 52958 1 . ASN 144 144 52958 1 . ASN 145 145 52958 1 . ALA 146 146 52958 1 . GLN 147 147 52958 1 . ARG 148 148 52958 1 . GLU 149 149 52958 1 . ALA 150 150 52958 1 . THR 151 151 52958 1 . ALA 152 152 52958 1 . ASN 153 153 52958 1 . ALA 154 154 52958 1 . GLY 155 155 52958 1 . ARG 156 156 52958 1 . ILE 157 157 52958 1 . ALA 158 158 52958 1 . GLY 159 159 52958 1 . LEU 160 160 52958 1 . GLU 161 161 52958 1 . VAL 162 162 52958 1 . LEU 163 163 52958 1 . ARG 164 164 52958 1 . ILE 165 165 52958 1 . ILE 166 166 52958 1 . ASN 167 167 52958 1 . GLU 168 168 52958 1 . PRO 169 169 52958 1 . THR 170 170 52958 1 . ALA 171 171 52958 1 . ALA 172 172 52958 1 . ALA 173 173 52958 1 . LEU 174 174 52958 1 . ALA 175 175 52958 1 . TYR 176 176 52958 1 . GLY 177 177 52958 1 . LEU 178 178 52958 1 . ASP 179 179 52958 1 . LYS 180 180 52958 1 . LYS 181 181 52958 1 . GLY 182 182 52958 1 . ASN 183 183 52958 1 . GLU 184 184 52958 1 . THR 185 185 52958 1 . VAL 186 186 52958 1 . LEU 187 187 52958 1 . VAL 188 188 52958 1 . PHE 189 189 52958 1 . ASP 190 190 52958 1 . LEU 191 191 52958 1 . GLY 192 192 52958 1 . GLY 193 193 52958 1 . GLY 194 194 52958 1 . THR 195 195 52958 1 . PHE 196 196 52958 1 . ASP 197 197 52958 1 . VAL 198 198 52958 1 . THR 199 199 52958 1 . ILE 200 200 52958 1 . LEU 201 201 52958 1 . GLU 202 202 52958 1 . ILE 203 203 52958 1 . GLY 204 204 52958 1 . GLU 205 205 52958 1 . GLY 206 206 52958 1 . VAL 207 207 52958 1 . PHE 208 208 52958 1 . GLU 209 209 52958 1 . VAL 210 210 52958 1 . LYS 211 211 52958 1 . ALA 212 212 52958 1 . THR 213 213 52958 1 . SER 214 214 52958 1 . GLY 215 215 52958 1 . ASP 216 216 52958 1 . THR 217 217 52958 1 . HIS 218 218 52958 1 . LEU 219 219 52958 1 . GLY 220 220 52958 1 . GLY 221 221 52958 1 . SER 222 222 52958 1 . ASP 223 223 52958 1 . MET 224 224 52958 1 . ASP 225 225 52958 1 . HIS 226 226 52958 1 . ALA 227 227 52958 1 . ILE 228 228 52958 1 . VAL 229 229 52958 1 . ASN 230 230 52958 1 . TRP 231 231 52958 1 . LEU 232 232 52958 1 . ALA 233 233 52958 1 . GLU 234 234 52958 1 . GLU 235 235 52958 1 . PHE 236 236 52958 1 . LYS 237 237 52958 1 . LYS 238 238 52958 1 . GLU 239 239 52958 1 . HIS 240 240 52958 1 . GLY 241 241 52958 1 . VAL 242 242 52958 1 . ASP 243 243 52958 1 . LEU 244 244 52958 1 . LYS 245 245 52958 1 . ALA 246 246 52958 1 . ASP 247 247 52958 1 . ARG 248 248 52958 1 . GLN 249 249 52958 1 . ALA 250 250 52958 1 . LEU 251 251 52958 1 . GLN 252 252 52958 1 . ARG 253 253 52958 1 . LEU 254 254 52958 1 . ILE 255 255 52958 1 . GLU 256 256 52958 1 . ALA 257 257 52958 1 . ALA 258 258 52958 1 . GLU 259 259 52958 1 . LYS 260 260 52958 1 . ALA 261 261 52958 1 . LYS 262 262 52958 1 . ILE 263 263 52958 1 . GLU 264 264 52958 1 . LEU 265 265 52958 1 . SER 266 266 52958 1 . SER 267 267 52958 1 . THR 268 268 52958 1 . LEU 269 269 52958 1 . GLU 270 270 52958 1 . THR 271 271 52958 1 . THR 272 272 52958 1 . ILE 273 273 52958 1 . SER 274 274 52958 1 . LEU 275 275 52958 1 . PRO 276 276 52958 1 . PHE 277 277 52958 1 . ILE 278 278 52958 1 . ALA 279 279 52958 1 . LEU 280 280 52958 1 . ASP 281 281 52958 1 . PRO 282 282 52958 1 . ALA 283 283 52958 1 . SER 284 284 52958 1 . LYS 285 285 52958 1 . THR 286 286 52958 1 . PRO 287 287 52958 1 . LEU 288 288 52958 1 . HIS 289 289 52958 1 . LEU 290 290 52958 1 . GLU 291 291 52958 1 . LYS 292 292 52958 1 . LYS 293 293 52958 1 . LEU 294 294 52958 1 . THR 295 295 52958 1 . ARG 296 296 52958 1 . ALA 297 297 52958 1 . LYS 298 298 52958 1 . PHE 299 299 52958 1 . GLU 300 300 52958 1 . GLU 301 301 52958 1 . LEU 302 302 52958 1 . ILE 303 303 52958 1 . GLN 304 304 52958 1 . PRO 305 305 52958 1 . LEU 306 306 52958 1 . LEU 307 307 52958 1 . LYS 308 308 52958 1 . ARG 309 309 52958 1 . LEU 310 310 52958 1 . ARG 311 311 52958 1 . GLY 312 312 52958 1 . PRO 313 313 52958 1 . VAL 314 314 52958 1 . GLU 315 315 52958 1 . GLN 316 316 52958 1 . ALA 317 317 52958 1 . LEU 318 318 52958 1 . LYS 319 319 52958 1 . ASP 320 320 52958 1 . ALA 321 321 52958 1 . GLY 322 322 52958 1 . LEU 323 323 52958 1 . THR 324 324 52958 1 . PRO 325 325 52958 1 . ALA 326 326 52958 1 . GLN 327 327 52958 1 . ILE 328 328 52958 1 . ASP 329 329 52958 1 . GLU 330 330 52958 1 . VAL 331 331 52958 1 . ILE 332 332 52958 1 . LEU 333 333 52958 1 . VAL 334 334 52958 1 . GLY 335 335 52958 1 . GLY 336 336 52958 1 . ALA 337 337 52958 1 . THR 338 338 52958 1 . ARG 339 339 52958 1 . VAL 340 340 52958 1 . PRO 341 341 52958 1 . ALA 342 342 52958 1 . VAL 343 343 52958 1 . GLN 344 344 52958 1 . GLN 345 345 52958 1 . VAL 346 346 52958 1 . VAL 347 347 52958 1 . ARG 348 348 52958 1 . GLU 349 349 52958 1 . LEU 350 350 52958 1 . LEU 351 351 52958 1 . GLY 352 352 52958 1 . LYS 353 353 52958 1 . GLU 354 354 52958 1 . PRO 355 355 52958 1 . ASN 356 356 52958 1 . ARG 357 357 52958 1 . SER 358 358 52958 1 . VAL 359 359 52958 1 . ASN 360 360 52958 1 . PRO 361 361 52958 1 . ASP 362 362 52958 1 . GLU 363 363 52958 1 . VAL 364 364 52958 1 . VAL 365 365 52958 1 . ALA 366 366 52958 1 . MET 367 367 52958 1 . GLY 368 368 52958 1 . ALA 369 369 52958 1 . ALA 370 370 52958 1 . ILE 371 371 52958 1 . GLN 372 372 52958 1 . ALA 373 373 52958 1 . GLY 374 374 52958 1 . VAL 375 375 52958 1 . LEU 376 376 52958 1 . MET 377 377 52958 1 . GLY 378 378 52958 1 . GLU 379 379 52958 1 . VAL 380 380 52958 1 . ARG 381 381 52958 1 . ASP 382 382 52958 1 . VAL 383 383 52958 1 . VAL 384 384 52958 1 . LEU 385 385 52958 1 . LEU 386 386 52958 1 . ASP 387 387 52958 1 . VAL 388 388 52958 1 . THR 389 389 52958 1 . PRO 390 390 52958 1 . LEU 391 391 52958 1 . SER 392 392 52958 1 . LEU 393 393 52958 1 . GLY 394 394 52958 1 . VAL 395 395 52958 1 . GLU 396 396 52958 1 . THR 397 397 52958 1 . LYS 398 398 52958 1 . GLY 399 399 52958 1 . GLY 400 400 52958 1 . VAL 401 401 52958 1 . MET 402 402 52958 1 . THR 403 403 52958 1 . VAL 404 404 52958 1 . LEU 405 405 52958 1 . ILE 406 406 52958 1 . PRO 407 407 52958 1 . ARG 408 408 52958 1 . ASN 409 409 52958 1 . THR 410 410 52958 1 . THR 411 411 52958 1 . ILE 412 412 52958 1 . PRO 413 413 52958 1 . THR 414 414 52958 1 . ARG 415 415 52958 1 . LYS 416 416 52958 1 . CYS 417 417 52958 1 . GLU 418 418 52958 1 . ILE 419 419 52958 1 . PHE 420 420 52958 1 . THR 421 421 52958 1 . THR 422 422 52958 1 . ALA 423 423 52958 1 . GLU 424 424 52958 1 . HIS 425 425 52958 1 . ASN 426 426 52958 1 . GLN 427 427 52958 1 . THR 428 428 52958 1 . ALA 429 429 52958 1 . VAL 430 430 52958 1 . GLU 431 431 52958 1 . ILE 432 432 52958 1 . HIS 433 433 52958 1 . VAL 434 434 52958 1 . LEU 435 435 52958 1 . GLN 436 436 52958 1 . GLY 437 437 52958 1 . GLU 438 438 52958 1 . ARG 439 439 52958 1 . PRO 440 440 52958 1 . MET 441 441 52958 1 . ALA 442 442 52958 1 . GLN 443 443 52958 1 . ASP 444 444 52958 1 . ASN 445 445 52958 1 . LYS 446 446 52958 1 . SER 447 447 52958 1 . LEU 448 448 52958 1 . GLY 449 449 52958 1 . ARG 450 450 52958 1 . PHE 451 451 52958 1 . ARG 452 452 52958 1 . LEU 453 453 52958 1 . GLU 454 454 52958 1 . GLY 455 455 52958 1 . ILE 456 456 52958 1 . PRO 457 457 52958 1 . PRO 458 458 52958 1 . MET 459 459 52958 1 . PRO 460 460 52958 1 . ALA 461 461 52958 1 . GLY 462 462 52958 1 . VAL 463 463 52958 1 . PRO 464 464 52958 1 . GLN 465 465 52958 1 . ILE 466 466 52958 1 . GLU 467 467 52958 1 . VAL 468 468 52958 1 . CYS 469 469 52958 1 . PHE 470 470 52958 1 . ASP 471 471 52958 1 . ILE 472 472 52958 1 . ASP 473 473 52958 1 . ALA 474 474 52958 1 . ASN 475 475 52958 1 . GLY 476 476 52958 1 . ILE 477 477 52958 1 . LEU 478 478 52958 1 . HIS 479 479 52958 1 . VAL 480 480 52958 1 . THR 481 481 52958 1 . ALA 482 482 52958 1 . LYS 483 483 52958 1 . GLU 484 484 52958 1 . ARG 485 485 52958 1 . SER 486 486 52958 1 . THR 487 487 52958 1 . GLY 488 488 52958 1 . ARG 489 489 52958 1 . GLU 490 490 52958 1 . ALA 491 491 52958 1 . SER 492 492 52958 1 . ILE 493 493 52958 1 . THR 494 494 52958 1 . ILE 495 495 52958 1 . GLN 496 496 52958 1 . ASN 497 497 52958 1 . THR 498 498 52958 1 . THR 499 499 52958 1 . THR 500 500 52958 1 . LEU 501 501 52958 1 . SER 502 502 52958 1 . GLU 503 503 52958 1 . GLU 504 504 52958 1 . GLU 505 505 52958 1 . ILE 506 506 52958 1 . GLN 507 507 52958 1 . ARG 508 508 52958 1 . ILE 509 509 52958 1 . ILE 510 510 52958 1 . GLU 511 511 52958 1 . GLU 512 512 52958 1 . ALA 513 513 52958 1 . LYS 514 514 52958 1 . ARG 515 515 52958 1 . HIS 516 516 52958 1 . ALA 517 517 52958 1 . GLU 518 518 52958 1 . GLU 519 519 52958 1 . ASP 520 520 52958 1 . ARG 521 521 52958 1 . ARG 522 522 52958 1 . ARG 523 523 52958 1 . ARG 524 524 52958 1 . GLU 525 525 52958 1 . HIS 526 526 52958 1 . ALA 527 527 52958 1 . GLU 528 528 52958 1 . LEU 529 529 52958 1 . LYS 530 530 52958 1 . ASN 531 531 52958 1 . ALA 532 532 52958 1 . LEU 533 533 52958 1 . ASP 534 534 52958 1 . SER 535 535 52958 1 . ALA 536 536 52958 1 . ARG 537 537 52958 1 . VAL 538 538 52958 1 . GLN 539 539 52958 1 . ALA 540 540 52958 1 . GLU 541 541 52958 1 . ARG 542 542 52958 1 . VAL 543 543 52958 1 . LEU 544 544 52958 1 . GLN 545 545 52958 1 . GLU 546 546 52958 1 . ARG 547 547 52958 1 . GLN 548 548 52958 1 . GLY 549 549 52958 1 . ALA 550 550 52958 1 . PRO 551 551 52958 1 . GLU 552 552 52958 1 . ALA 553 553 52958 1 . ARG 554 554 52958 1 . ALA 555 555 52958 1 . ARG 556 556 52958 1 . LEU 557 557 52958 1 . GLU 558 558 52958 1 . ALA 559 559 52958 1 . ALA 560 560 52958 1 . ILE 561 561 52958 1 . GLY 562 562 52958 1 . LYS 563 563 52958 1 . ALA 564 564 52958 1 . LYS 565 565 52958 1 . GLU 566 566 52958 1 . LEU 567 567 52958 1 . VAL 568 568 52958 1 . GLU 569 569 52958 1 . ARG 570 570 52958 1 . ASP 571 571 52958 1 . ALA 572 572 52958 1 . PRO 573 573 52958 1 . ASP 574 574 52958 1 . PRO 575 575 52958 1 . GLU 576 576 52958 1 . LEU 577 577 52958 1 . LYS 578 578 52958 1 . ALA 579 579 52958 1 . ALA 580 580 52958 1 . THR 581 581 52958 1 . GLU 582 582 52958 1 . GLU 583 583 52958 1 . LEU 584 584 52958 1 . LEU 585 585 52958 1 . LYS 586 586 52958 1 . ALA 587 587 52958 1 . VAL 588 588 52958 1 . GLU 589 589 52958 1 . GLU 590 590 52958 1 . TYR 591 591 52958 1 . GLU 592 592 52958 1 . LYS 593 593 52958 1 . GLY 594 594 52958 1 . ALA 595 595 52958 1 . GLN 596 596 52958 1 . ALA 597 597 52958 1 . ALA 598 598 52958 1 . SER 599 599 52958 1 . GLY 600 600 52958 1 . LYS 601 601 52958 1 . GLY 602 602 52958 1 . PRO 603 603 52958 1 . ASP 604 604 52958 1 . ASP 605 605 52958 1 . VAL 606 606 52958 1 . ILE 607 607 52958 1 . ASP 608 608 52958 1 . ALA 609 609 52958 1 . ASP 610 610 52958 1 . TYR 611 611 52958 1 . LYS 612 612 52958 1 . PRO 613 613 52958 1 . ALA 614 614 52958 1 . ASP 615 615 52958 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 52958 _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 52958 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 52958 2 ADP 'Three letter code' 52958 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 52958 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 52958 _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 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 52958 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 52958 _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' 'Thermus thermophilus' . . . Thermus thermophilus . . . plasmid . . pCoofy . . . 52958 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 52958 _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 52958 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 52958 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 52958 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 52958 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 52958 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 52958 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 52958 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 52958 ADP "adenosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 52958 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 . 52958 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 52958 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 52958 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 52958 ADP PA PA PA PA . P . . S 0 . . . 1 N N . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 52958 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 52958 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 52958 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 52958 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 52958 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 52958 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 52958 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 52958 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 52958 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 52958 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 52958 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 52958 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 52958 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 52958 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 52958 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 52958 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 52958 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 52958 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 52958 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 52958 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 52958 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 52958 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 52958 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 52958 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 N N . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 52958 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 52958 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 . 52958 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 . 52958 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 52958 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 52958 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 52958 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 52958 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 52958 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 52958 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 52958 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 N N . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 52958 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 N N . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 52958 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 52958 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 . 52958 ADP 2 . SING PB O2B N N 2 . 52958 ADP 3 . SING PB O3B N N 3 . 52958 ADP 4 . SING PB O3A N N 4 . 52958 ADP 5 . SING O2B HOB2 N N 5 . 52958 ADP 6 . SING O3B HOB3 N N 6 . 52958 ADP 7 . DOUB PA O1A N N 7 . 52958 ADP 8 . SING PA O2A N N 8 . 52958 ADP 9 . SING PA O3A N N 9 . 52958 ADP 10 . SING PA O5' N N 10 . 52958 ADP 11 . SING O2A HOA2 N N 11 . 52958 ADP 12 . SING O5' C5' N N 12 . 52958 ADP 13 . SING C5' C4' N N 13 . 52958 ADP 14 . SING C5' H5'1 N N 14 . 52958 ADP 15 . SING C5' H5'2 N N 15 . 52958 ADP 16 . SING C4' O4' N N 16 . 52958 ADP 17 . SING C4' C3' N N 17 . 52958 ADP 18 . SING C4' H4' N N 18 . 52958 ADP 19 . SING O4' C1' N N 19 . 52958 ADP 20 . SING C3' O3' N N 20 . 52958 ADP 21 . SING C3' C2' N N 21 . 52958 ADP 22 . SING C3' H3' N N 22 . 52958 ADP 23 . SING O3' HO3' N N 23 . 52958 ADP 24 . SING C2' O2' N N 24 . 52958 ADP 25 . SING C2' C1' N N 25 . 52958 ADP 26 . SING C2' H2' N N 26 . 52958 ADP 27 . SING O2' HO2' N N 27 . 52958 ADP 28 . SING C1' N9 N N 28 . 52958 ADP 29 . SING C1' H1' N N 29 . 52958 ADP 30 . SING N9 C8 Y N 30 . 52958 ADP 31 . SING N9 C4 Y N 31 . 52958 ADP 32 . DOUB C8 N7 Y N 32 . 52958 ADP 33 . SING C8 H8 N N 33 . 52958 ADP 34 . SING N7 C5 Y N 34 . 52958 ADP 35 . SING C5 C6 Y N 35 . 52958 ADP 36 . DOUB C5 C4 Y N 36 . 52958 ADP 37 . SING C6 N6 N N 37 . 52958 ADP 38 . DOUB C6 N1 Y N 38 . 52958 ADP 39 . SING N6 HN61 N N 39 . 52958 ADP 40 . SING N6 HN62 N N 40 . 52958 ADP 41 . SING N1 C2 Y N 41 . 52958 ADP 42 . DOUB C2 N3 Y N 42 . 52958 ADP 43 . SING C2 H2 N N 43 . 52958 ADP 44 . SING N3 C4 Y N 44 . 52958 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52958 _Sample.ID 1 _Sample.Name DnaKADP _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DnaK '[U-15N; U-2H; 99% 13CH3-Ile,Leu, Val, Met, Ala, Thr]' . . 1 $entity_1 . . 250 . . uM . . . . 52958 1 2 ADP 'natural abundance' . . . . . . 500 . . uM . . . . 52958 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52958 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52958 1 5 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52958 1 6 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 52958 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 52958 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 52958 1 pH 7.0 . pH 52958 1 pressure 1 . atm 52958 1 temperature 315 . K 52958 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52958 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52958 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52958 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52958 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52958 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HMQC' DNAKADP.zip . 'Time-domain (raw spectral data)' . . 52958 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 52958 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'IUPAC referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52958 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52958 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52958 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 52958 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DnaKADP _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' . . . 52958 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 . . 52958 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 2 2 ALA HB1 H 1 1.392 0.000 . . . . . . . 2 ALA HB . 52958 1 2 . 1 . 1 2 2 ALA HB2 H 1 1.392 0.000 . . . . . . . 2 ALA HB . 52958 1 3 . 1 . 1 2 2 ALA HB3 H 1 1.392 0.000 . . . . . . . 2 ALA HB . 52958 1 4 . 1 . 1 2 2 ALA CB C 13 20.036 0.000 . . . . . . . 2 ALA CB . 52958 1 5 . 1 . 1 4 4 ALA HB1 H 1 1.210 0.000 . . . . . . . 4 ALA HB . 52958 1 6 . 1 . 1 4 4 ALA HB2 H 1 1.210 0.000 . . . . . . . 4 ALA HB . 52958 1 7 . 1 . 1 4 4 ALA HB3 H 1 1.210 0.000 . . . . . . . 4 ALA HB . 52958 1 8 . 1 . 1 4 4 ALA CB C 13 21.651 0.000 . . . . . . . 4 ALA CB . 52958 1 9 . 1 . 1 5 5 VAL HG11 H 1 0.873 0.000 . . . . . . . 5 VAL HG1 . 52958 1 10 . 1 . 1 5 5 VAL HG12 H 1 0.873 0.000 . . . . . . . 5 VAL HG1 . 52958 1 11 . 1 . 1 5 5 VAL HG13 H 1 0.873 0.000 . . . . . . . 5 VAL HG1 . 52958 1 12 . 1 . 1 5 5 VAL HG21 H 1 0.855 0.000 . . . . . . . 5 VAL HG2 . 52958 1 13 . 1 . 1 5 5 VAL HG22 H 1 0.855 0.000 . . . . . . . 5 VAL HG2 . 52958 1 14 . 1 . 1 5 5 VAL HG23 H 1 0.855 0.000 . . . . . . . 5 VAL HG2 . 52958 1 15 . 1 . 1 5 5 VAL CG1 C 13 18.747 0.000 . . . . . . . 5 VAL CG1 . 52958 1 16 . 1 . 1 5 5 VAL CG2 C 13 21.190 0.000 . . . . . . . 5 VAL CG2 . 52958 1 17 . 1 . 1 7 7 ILE HD11 H 1 0.539 0.000 . . . . . . . 7 ILE HD1 . 52958 1 18 . 1 . 1 7 7 ILE HD12 H 1 0.539 0.000 . . . . . . . 7 ILE HD1 . 52958 1 19 . 1 . 1 7 7 ILE HD13 H 1 0.539 0.000 . . . . . . . 7 ILE HD1 . 52958 1 20 . 1 . 1 7 7 ILE CD1 C 13 14.229 0.000 . . . . . . . 7 ILE CD1 . 52958 1 21 . 1 . 1 9 9 LEU HD11 H 1 0.843 0.000 . . . . . . . 9 LEU HD1 . 52958 1 22 . 1 . 1 9 9 LEU HD12 H 1 0.843 0.000 . . . . . . . 9 LEU HD1 . 52958 1 23 . 1 . 1 9 9 LEU HD13 H 1 0.843 0.000 . . . . . . . 9 LEU HD1 . 52958 1 24 . 1 . 1 9 9 LEU HD21 H 1 0.902 0.000 . . . . . . . 9 LEU HD2 . 52958 1 25 . 1 . 1 9 9 LEU HD22 H 1 0.902 0.000 . . . . . . . 9 LEU HD2 . 52958 1 26 . 1 . 1 9 9 LEU HD23 H 1 0.902 0.000 . . . . . . . 9 LEU HD2 . 52958 1 27 . 1 . 1 9 9 LEU CD1 C 13 21.981 0.000 . . . . . . . 9 LEU CD1 . 52958 1 28 . 1 . 1 9 9 LEU CD2 C 13 26.361 0.000 . . . . . . . 9 LEU CD2 . 52958 1 29 . 1 . 1 15 15 VAL HG11 H 1 1.133 0.000 . . . . . . . 15 VAL HG1 . 52958 1 30 . 1 . 1 15 15 VAL HG12 H 1 1.133 0.000 . . . . . . . 15 VAL HG1 . 52958 1 31 . 1 . 1 15 15 VAL HG13 H 1 1.133 0.000 . . . . . . . 15 VAL HG1 . 52958 1 32 . 1 . 1 15 15 VAL HG21 H 1 1.143 0.000 . . . . . . . 15 VAL HG2 . 52958 1 33 . 1 . 1 15 15 VAL HG22 H 1 1.143 0.000 . . . . . . . 15 VAL HG2 . 52958 1 34 . 1 . 1 15 15 VAL HG23 H 1 1.143 0.000 . . . . . . . 15 VAL HG2 . 52958 1 35 . 1 . 1 15 15 VAL CG1 C 13 23.154 0.000 . . . . . . . 15 VAL CG1 . 52958 1 36 . 1 . 1 15 15 VAL CG2 C 13 22.520 0.000 . . . . . . . 15 VAL CG2 . 52958 1 37 . 1 . 1 16 16 ILE HD11 H 1 0.699 0.000 . . . . . . . 16 ILE HD1 . 52958 1 38 . 1 . 1 16 16 ILE HD12 H 1 0.699 0.000 . . . . . . . 16 ILE HD1 . 52958 1 39 . 1 . 1 16 16 ILE HD13 H 1 0.699 0.000 . . . . . . . 16 ILE HD1 . 52958 1 40 . 1 . 1 16 16 ILE CD1 C 13 14.973 0.000 . . . . . . . 16 ILE CD1 . 52958 1 41 . 1 . 1 17 17 ALA HB1 H 1 0.972 0.000 . . . . . . . 17 ALA HB . 52958 1 42 . 1 . 1 17 17 ALA HB2 H 1 0.972 0.000 . . . . . . . 17 ALA HB . 52958 1 43 . 1 . 1 17 17 ALA HB3 H 1 0.972 0.000 . . . . . . . 17 ALA HB . 52958 1 44 . 1 . 1 17 17 ALA CB C 13 23.143 0.000 . . . . . . . 17 ALA CB . 52958 1 45 . 1 . 1 18 18 VAL HG11 H 1 0.871 0.000 . . . . . . . 18 VAL HG1 . 52958 1 46 . 1 . 1 18 18 VAL HG12 H 1 0.871 0.000 . . . . . . . 18 VAL HG1 . 52958 1 47 . 1 . 1 18 18 VAL HG13 H 1 0.871 0.000 . . . . . . . 18 VAL HG1 . 52958 1 48 . 1 . 1 18 18 VAL HG21 H 1 1.012 0.000 . . . . . . . 18 VAL HG2 . 52958 1 49 . 1 . 1 18 18 VAL HG22 H 1 1.012 0.000 . . . . . . . 18 VAL HG2 . 52958 1 50 . 1 . 1 18 18 VAL HG23 H 1 1.012 0.000 . . . . . . . 18 VAL HG2 . 52958 1 51 . 1 . 1 18 18 VAL CG1 C 13 20.221 0.000 . . . . . . . 18 VAL CG1 . 52958 1 52 . 1 . 1 18 18 VAL CG2 C 13 21.098 0.000 . . . . . . . 18 VAL CG2 . 52958 1 53 . 1 . 1 19 19 LEU HD11 H 1 0.487 0.000 . . . . . . . 19 LEU HD1 . 52958 1 54 . 1 . 1 19 19 LEU HD12 H 1 0.487 0.000 . . . . . . . 19 LEU HD1 . 52958 1 55 . 1 . 1 19 19 LEU HD13 H 1 0.487 0.000 . . . . . . . 19 LEU HD1 . 52958 1 56 . 1 . 1 19 19 LEU HD21 H 1 0.715 0.000 . . . . . . . 19 LEU HD2 . 52958 1 57 . 1 . 1 19 19 LEU HD22 H 1 0.715 0.000 . . . . . . . 19 LEU HD2 . 52958 1 58 . 1 . 1 19 19 LEU HD23 H 1 0.715 0.000 . . . . . . . 19 LEU HD2 . 52958 1 59 . 1 . 1 19 19 LEU CD1 C 13 23.125 0.000 . . . . . . . 19 LEU CD1 . 52958 1 60 . 1 . 1 19 19 LEU CD2 C 13 25.442 0.000 . . . . . . . 19 LEU CD2 . 52958 1 61 . 1 . 1 25 25 VAL HG11 H 1 0.938 0.000 . . . . . . . 25 VAL HG1 . 52958 1 62 . 1 . 1 25 25 VAL HG12 H 1 0.938 0.000 . . . . . . . 25 VAL HG1 . 52958 1 63 . 1 . 1 25 25 VAL HG13 H 1 0.938 0.000 . . . . . . . 25 VAL HG1 . 52958 1 64 . 1 . 1 25 25 VAL HG21 H 1 0.867 0.000 . . . . . . . 25 VAL HG2 . 52958 1 65 . 1 . 1 25 25 VAL HG22 H 1 0.867 0.000 . . . . . . . 25 VAL HG2 . 52958 1 66 . 1 . 1 25 25 VAL HG23 H 1 0.867 0.000 . . . . . . . 25 VAL HG2 . 52958 1 67 . 1 . 1 25 25 VAL CG1 C 13 20.783 0.000 . . . . . . . 25 VAL CG1 . 52958 1 68 . 1 . 1 25 25 VAL CG2 C 13 20.788 0.000 . . . . . . . 25 VAL CG2 . 52958 1 69 . 1 . 1 26 26 VAL HG11 H 1 0.952 0.000 . . . . . . . 26 VAL HG1 . 52958 1 70 . 1 . 1 26 26 VAL HG12 H 1 0.952 0.000 . . . . . . . 26 VAL HG1 . 52958 1 71 . 1 . 1 26 26 VAL HG13 H 1 0.952 0.000 . . . . . . . 26 VAL HG1 . 52958 1 72 . 1 . 1 26 26 VAL HG21 H 1 0.882 0.000 . . . . . . . 26 VAL HG2 . 52958 1 73 . 1 . 1 26 26 VAL HG22 H 1 0.882 0.000 . . . . . . . 26 VAL HG2 . 52958 1 74 . 1 . 1 26 26 VAL HG23 H 1 0.882 0.000 . . . . . . . 26 VAL HG2 . 52958 1 75 . 1 . 1 26 26 VAL CG1 C 13 22.063 0.000 . . . . . . . 26 VAL CG1 . 52958 1 76 . 1 . 1 26 26 VAL CG2 C 13 22.982 0.000 . . . . . . . 26 VAL CG2 . 52958 1 77 . 1 . 1 27 27 LEU HD11 H 1 0.795 0.000 . . . . . . . 27 LEU HD1 . 52958 1 78 . 1 . 1 27 27 LEU HD12 H 1 0.795 0.000 . . . . . . . 27 LEU HD1 . 52958 1 79 . 1 . 1 27 27 LEU HD13 H 1 0.795 0.000 . . . . . . . 27 LEU HD1 . 52958 1 80 . 1 . 1 27 27 LEU HD21 H 1 0.823 0.000 . . . . . . . 27 LEU HD2 . 52958 1 81 . 1 . 1 27 27 LEU HD22 H 1 0.823 0.000 . . . . . . . 27 LEU HD2 . 52958 1 82 . 1 . 1 27 27 LEU HD23 H 1 0.823 0.000 . . . . . . . 27 LEU HD2 . 52958 1 83 . 1 . 1 27 27 LEU CD1 C 13 23.030 0.000 . . . . . . . 27 LEU CD1 . 52958 1 84 . 1 . 1 27 27 LEU CD2 C 13 26.097 0.000 . . . . . . . 27 LEU CD2 . 52958 1 85 . 1 . 1 30 30 ALA HB1 H 1 1.370 0.000 . . . . . . . 30 ALA HB . 52958 1 86 . 1 . 1 30 30 ALA HB2 H 1 1.370 0.000 . . . . . . . 30 ALA HB . 52958 1 87 . 1 . 1 30 30 ALA HB3 H 1 1.370 0.000 . . . . . . . 30 ALA HB . 52958 1 88 . 1 . 1 30 30 ALA CB C 13 18.541 0.000 . . . . . . . 30 ALA CB . 52958 1 89 . 1 . 1 35 35 VAL HG11 H 1 0.757 0.000 . . . . . . . 35 VAL HG1 . 52958 1 90 . 1 . 1 35 35 VAL HG12 H 1 0.757 0.000 . . . . . . . 35 VAL HG1 . 52958 1 91 . 1 . 1 35 35 VAL HG13 H 1 0.757 0.000 . . . . . . . 35 VAL HG1 . 52958 1 92 . 1 . 1 35 35 VAL HG21 H 1 0.843 0.000 . . . . . . . 35 VAL HG2 . 52958 1 93 . 1 . 1 35 35 VAL HG22 H 1 0.843 0.000 . . . . . . . 35 VAL HG2 . 52958 1 94 . 1 . 1 35 35 VAL HG23 H 1 0.843 0.000 . . . . . . . 35 VAL HG2 . 52958 1 95 . 1 . 1 35 35 VAL CG1 C 13 18.403 0.000 . . . . . . . 35 VAL CG1 . 52958 1 96 . 1 . 1 35 35 VAL CG2 C 13 20.708 0.000 . . . . . . . 35 VAL CG2 . 52958 1 97 . 1 . 1 39 39 VAL HG11 H 1 0.963 0.000 . . . . . . . 39 VAL HG1 . 52958 1 98 . 1 . 1 39 39 VAL HG12 H 1 0.963 0.000 . . . . . . . 39 VAL HG1 . 52958 1 99 . 1 . 1 39 39 VAL HG13 H 1 0.963 0.000 . . . . . . . 39 VAL HG1 . 52958 1 100 . 1 . 1 39 39 VAL HG21 H 1 0.690 0.000 . . . . . . . 39 VAL HG2 . 52958 1 101 . 1 . 1 39 39 VAL HG22 H 1 0.690 0.000 . . . . . . . 39 VAL HG2 . 52958 1 102 . 1 . 1 39 39 VAL HG23 H 1 0.690 0.000 . . . . . . . 39 VAL HG2 . 52958 1 103 . 1 . 1 39 39 VAL CG1 C 13 22.423 0.000 . . . . . . . 39 VAL CG1 . 52958 1 104 . 1 . 1 39 39 VAL CG2 C 13 22.783 0.000 . . . . . . . 39 VAL CG2 . 52958 1 105 . 1 . 1 40 40 VAL HG11 H 1 0.483 0.000 . . . . . . . 40 VAL HG1 . 52958 1 106 . 1 . 1 40 40 VAL HG12 H 1 0.483 0.000 . . . . . . . 40 VAL HG1 . 52958 1 107 . 1 . 1 40 40 VAL HG13 H 1 0.483 0.000 . . . . . . . 40 VAL HG1 . 52958 1 108 . 1 . 1 40 40 VAL HG21 H 1 0.818 0.000 . . . . . . . 40 VAL HG2 . 52958 1 109 . 1 . 1 40 40 VAL HG22 H 1 0.818 0.000 . . . . . . . 40 VAL HG2 . 52958 1 110 . 1 . 1 40 40 VAL HG23 H 1 0.818 0.000 . . . . . . . 40 VAL HG2 . 52958 1 111 . 1 . 1 40 40 VAL CG1 C 13 21.336 0.000 . . . . . . . 40 VAL CG1 . 52958 1 112 . 1 . 1 40 40 VAL CG2 C 13 21.989 0.000 . . . . . . . 40 VAL CG2 . 52958 1 113 . 1 . 1 41 41 ALA HB1 H 1 1.117 0.000 . . . . . . . 41 ALA HB . 52958 1 114 . 1 . 1 41 41 ALA HB2 H 1 1.117 0.000 . . . . . . . 41 ALA HB . 52958 1 115 . 1 . 1 41 41 ALA HB3 H 1 1.117 0.000 . . . . . . . 41 ALA HB . 52958 1 116 . 1 . 1 41 41 ALA CB C 13 25.112 0.000 . . . . . . . 41 ALA CB . 52958 1 117 . 1 . 1 48 48 LEU HD11 H 1 0.663 0.000 . . . . . . . 48 LEU HD1 . 52958 1 118 . 1 . 1 48 48 LEU HD12 H 1 0.663 0.000 . . . . . . . 48 LEU HD1 . 52958 1 119 . 1 . 1 48 48 LEU HD13 H 1 0.663 0.000 . . . . . . . 48 LEU HD1 . 52958 1 120 . 1 . 1 48 48 LEU HD21 H 1 0.546 0.000 . . . . . . . 48 LEU HD2 . 52958 1 121 . 1 . 1 48 48 LEU HD22 H 1 0.546 0.000 . . . . . . . 48 LEU HD2 . 52958 1 122 . 1 . 1 48 48 LEU HD23 H 1 0.546 0.000 . . . . . . . 48 LEU HD2 . 52958 1 123 . 1 . 1 48 48 LEU CD1 C 13 23.095 0.000 . . . . . . . 48 LEU CD1 . 52958 1 124 . 1 . 1 48 48 LEU CD2 C 13 24.953 0.000 . . . . . . . 48 LEU CD2 . 52958 1 125 . 1 . 1 49 49 VAL HG11 H 1 0.812 0.000 . . . . . . . 49 VAL HG1 . 52958 1 126 . 1 . 1 49 49 VAL HG12 H 1 0.812 0.000 . . . . . . . 49 VAL HG1 . 52958 1 127 . 1 . 1 49 49 VAL HG13 H 1 0.812 0.000 . . . . . . . 49 VAL HG1 . 52958 1 128 . 1 . 1 49 49 VAL HG21 H 1 0.901 0.000 . . . . . . . 49 VAL HG2 . 52958 1 129 . 1 . 1 49 49 VAL HG22 H 1 0.901 0.000 . . . . . . . 49 VAL HG2 . 52958 1 130 . 1 . 1 49 49 VAL HG23 H 1 0.901 0.000 . . . . . . . 49 VAL HG2 . 52958 1 131 . 1 . 1 49 49 VAL CG1 C 13 21.204 0.000 . . . . . . . 49 VAL CG1 . 52958 1 132 . 1 . 1 49 49 VAL CG2 C 13 21.766 0.000 . . . . . . . 49 VAL CG2 . 52958 1 133 . 1 . 1 52 52 MET HE1 H 1 2.097 0.000 . . . . . . . 52 MET HE . 52958 1 134 . 1 . 1 52 52 MET HE2 H 1 2.097 0.000 . . . . . . . 52 MET HE . 52958 1 135 . 1 . 1 52 52 MET HE3 H 1 2.097 0.000 . . . . . . . 52 MET HE . 52958 1 136 . 1 . 1 52 52 MET CE C 13 17.170 0.000 . . . . . . . 52 MET CE . 52958 1 137 . 1 . 1 53 53 ALA HB1 H 1 1.116 0.000 . . . . . . . 53 ALA HB . 52958 1 138 . 1 . 1 53 53 ALA HB2 H 1 1.116 0.000 . . . . . . . 53 ALA HB . 52958 1 139 . 1 . 1 53 53 ALA HB3 H 1 1.116 0.000 . . . . . . . 53 ALA HB . 52958 1 140 . 1 . 1 53 53 ALA CB C 13 19.124 0.000 . . . . . . . 53 ALA CB . 52958 1 141 . 1 . 1 57 57 ALA HB1 H 1 1.436 0.000 . . . . . . . 57 ALA HB . 52958 1 142 . 1 . 1 57 57 ALA HB2 H 1 1.436 0.000 . . . . . . . 57 ALA HB . 52958 1 143 . 1 . 1 57 57 ALA HB3 H 1 1.436 0.000 . . . . . . . 57 ALA HB . 52958 1 144 . 1 . 1 57 57 ALA CB C 13 19.729 0.000 . . . . . . . 57 ALA CB . 52958 1 145 . 1 . 1 58 58 VAL HG11 H 1 0.983 0.000 . . . . . . . 58 VAL HG1 . 52958 1 146 . 1 . 1 58 58 VAL HG12 H 1 0.983 0.000 . . . . . . . 58 VAL HG1 . 52958 1 147 . 1 . 1 58 58 VAL HG13 H 1 0.983 0.000 . . . . . . . 58 VAL HG1 . 52958 1 148 . 1 . 1 58 58 VAL HG21 H 1 0.925 0.000 . . . . . . . 58 VAL HG2 . 52958 1 149 . 1 . 1 58 58 VAL HG22 H 1 0.925 0.000 . . . . . . . 58 VAL HG2 . 52958 1 150 . 1 . 1 58 58 VAL HG23 H 1 0.925 0.000 . . . . . . . 58 VAL HG2 . 52958 1 151 . 1 . 1 58 58 VAL CG1 C 13 22.044 0.000 . . . . . . . 58 VAL CG1 . 52958 1 152 . 1 . 1 58 58 VAL CG2 C 13 22.918 0.000 . . . . . . . 58 VAL CG2 . 52958 1 153 . 1 . 1 59 59 LEU HD11 H 1 0.772 0.000 . . . . . . . 59 LEU HD1 . 52958 1 154 . 1 . 1 59 59 LEU HD12 H 1 0.772 0.000 . . . . . . . 59 LEU HD1 . 52958 1 155 . 1 . 1 59 59 LEU HD13 H 1 0.772 0.000 . . . . . . . 59 LEU HD1 . 52958 1 156 . 1 . 1 59 59 LEU HD21 H 1 0.965 0.000 . . . . . . . 59 LEU HD2 . 52958 1 157 . 1 . 1 59 59 LEU HD22 H 1 0.965 0.000 . . . . . . . 59 LEU HD2 . 52958 1 158 . 1 . 1 59 59 LEU HD23 H 1 0.965 0.000 . . . . . . . 59 LEU HD2 . 52958 1 159 . 1 . 1 59 59 LEU CD1 C 13 22.673 0.000 . . . . . . . 59 LEU CD1 . 52958 1 160 . 1 . 1 59 59 LEU CD2 C 13 25.189 0.000 . . . . . . . 59 LEU CD2 . 52958 1 161 . 1 . 1 65 65 ILE HD11 H 1 0.139 0.000 . . . . . . . 65 ILE HD1 . 52958 1 162 . 1 . 1 65 65 ILE HD12 H 1 0.139 0.000 . . . . . . . 65 ILE HD1 . 52958 1 163 . 1 . 1 65 65 ILE HD13 H 1 0.139 0.000 . . . . . . . 65 ILE HD1 . 52958 1 164 . 1 . 1 65 65 ILE CD1 C 13 10.334 0.000 . . . . . . . 65 ILE CD1 . 52958 1 165 . 1 . 1 68 68 ILE HD11 H 1 0.512 0.000 . . . . . . . 68 ILE HD1 . 52958 1 166 . 1 . 1 68 68 ILE HD12 H 1 0.512 0.000 . . . . . . . 68 ILE HD1 . 52958 1 167 . 1 . 1 68 68 ILE HD13 H 1 0.512 0.000 . . . . . . . 68 ILE HD1 . 52958 1 168 . 1 . 1 68 68 ILE CD1 C 13 9.736 0.000 . . . . . . . 68 ILE CD1 . 52958 1 169 . 1 . 1 72 72 ILE HD11 H 1 0.810 0.000 . . . . . . . 72 ILE HD1 . 52958 1 170 . 1 . 1 72 72 ILE HD12 H 1 0.810 0.000 . . . . . . . 72 ILE HD1 . 52958 1 171 . 1 . 1 72 72 ILE HD13 H 1 0.810 0.000 . . . . . . . 72 ILE HD1 . 52958 1 172 . 1 . 1 72 72 ILE CD1 C 13 13.266 0.000 . . . . . . . 72 ILE CD1 . 52958 1 173 . 1 . 1 79 79 VAL HG11 H 1 0.884 0.000 . . . . . . . 79 VAL HG1 . 52958 1 174 . 1 . 1 79 79 VAL HG12 H 1 0.884 0.000 . . . . . . . 79 VAL HG1 . 52958 1 175 . 1 . 1 79 79 VAL HG13 H 1 0.884 0.000 . . . . . . . 79 VAL HG1 . 52958 1 176 . 1 . 1 79 79 VAL HG21 H 1 0.855 0.000 . . . . . . . 79 VAL HG2 . 52958 1 177 . 1 . 1 79 79 VAL HG22 H 1 0.855 0.000 . . . . . . . 79 VAL HG2 . 52958 1 178 . 1 . 1 79 79 VAL HG23 H 1 0.855 0.000 . . . . . . . 79 VAL HG2 . 52958 1 179 . 1 . 1 79 79 VAL CG1 C 13 19.196 0.000 . . . . . . . 79 VAL CG1 . 52958 1 180 . 1 . 1 79 79 VAL CG2 C 13 22.175 0.000 . . . . . . . 79 VAL CG2 . 52958 1 181 . 1 . 1 83 83 ALA HB1 H 1 1.439 0.000 . . . . . . . 83 ALA HB . 52958 1 182 . 1 . 1 83 83 ALA HB2 H 1 1.439 0.000 . . . . . . . 83 ALA HB . 52958 1 183 . 1 . 1 83 83 ALA HB3 H 1 1.439 0.000 . . . . . . . 83 ALA HB . 52958 1 184 . 1 . 1 83 83 ALA CB C 13 17.996 0.000 . . . . . . . 83 ALA CB . 52958 1 185 . 1 . 1 86 86 VAL HG11 H 1 0.335 0.000 . . . . . . . 86 VAL HG1 . 52958 1 186 . 1 . 1 86 86 VAL HG12 H 1 0.335 0.000 . . . . . . . 86 VAL HG1 . 52958 1 187 . 1 . 1 86 86 VAL HG13 H 1 0.335 0.000 . . . . . . . 86 VAL HG1 . 52958 1 188 . 1 . 1 86 86 VAL HG21 H 1 0.898 0.000 . . . . . . . 86 VAL HG2 . 52958 1 189 . 1 . 1 86 86 VAL HG22 H 1 0.898 0.000 . . . . . . . 86 VAL HG2 . 52958 1 190 . 1 . 1 86 86 VAL HG23 H 1 0.898 0.000 . . . . . . . 86 VAL HG2 . 52958 1 191 . 1 . 1 86 86 VAL CG1 C 13 16.364 0.000 . . . . . . . 86 VAL CG1 . 52958 1 192 . 1 . 1 86 86 VAL CG2 C 13 21.040 0.000 . . . . . . . 86 VAL CG2 . 52958 1 193 . 1 . 1 90 90 VAL HG11 H 1 0.429 0.000 . . . . . . . 90 VAL HG1 . 52958 1 194 . 1 . 1 90 90 VAL HG12 H 1 0.429 0.000 . . . . . . . 90 VAL HG1 . 52958 1 195 . 1 . 1 90 90 VAL HG13 H 1 0.429 0.000 . . . . . . . 90 VAL HG1 . 52958 1 196 . 1 . 1 90 90 VAL HG21 H 1 0.694 0.000 . . . . . . . 90 VAL HG2 . 52958 1 197 . 1 . 1 90 90 VAL HG22 H 1 0.694 0.000 . . . . . . . 90 VAL HG2 . 52958 1 198 . 1 . 1 90 90 VAL HG23 H 1 0.694 0.000 . . . . . . . 90 VAL HG2 . 52958 1 199 . 1 . 1 90 90 VAL CG1 C 13 21.612 0.000 . . . . . . . 90 VAL CG1 . 52958 1 200 . 1 . 1 90 90 VAL CG2 C 13 21.708 0.000 . . . . . . . 90 VAL CG2 . 52958 1 201 . 1 . 1 91 91 VAL HG11 H 1 0.768 0.000 . . . . . . . 91 VAL HG1 . 52958 1 202 . 1 . 1 91 91 VAL HG12 H 1 0.768 0.000 . . . . . . . 91 VAL HG1 . 52958 1 203 . 1 . 1 91 91 VAL HG13 H 1 0.768 0.000 . . . . . . . 91 VAL HG1 . 52958 1 204 . 1 . 1 91 91 VAL HG21 H 1 0.511 0.000 . . . . . . . 91 VAL HG2 . 52958 1 205 . 1 . 1 91 91 VAL HG22 H 1 0.511 0.000 . . . . . . . 91 VAL HG2 . 52958 1 206 . 1 . 1 91 91 VAL HG23 H 1 0.511 0.000 . . . . . . . 91 VAL HG2 . 52958 1 207 . 1 . 1 91 91 VAL CG1 C 13 22.041 0.000 . . . . . . . 91 VAL CG1 . 52958 1 208 . 1 . 1 91 91 VAL CG2 C 13 18.814 0.000 . . . . . . . 91 VAL CG2 . 52958 1 209 . 1 . 1 98 98 VAL HG11 H 1 1.103 0.000 . . . . . . . 98 VAL HG1 . 52958 1 210 . 1 . 1 98 98 VAL HG12 H 1 1.103 0.000 . . . . . . . 98 VAL HG1 . 52958 1 211 . 1 . 1 98 98 VAL HG13 H 1 1.103 0.000 . . . . . . . 98 VAL HG1 . 52958 1 212 . 1 . 1 98 98 VAL HG21 H 1 0.914 0.000 . . . . . . . 98 VAL HG2 . 52958 1 213 . 1 . 1 98 98 VAL HG22 H 1 0.914 0.000 . . . . . . . 98 VAL HG2 . 52958 1 214 . 1 . 1 98 98 VAL HG23 H 1 0.914 0.000 . . . . . . . 98 VAL HG2 . 52958 1 215 . 1 . 1 98 98 VAL CG1 C 13 22.800 0.000 . . . . . . . 98 VAL CG1 . 52958 1 216 . 1 . 1 98 98 VAL CG2 C 13 22.550 0.000 . . . . . . . 98 VAL CG2 . 52958 1 217 . 1 . 1 100 100 VAL HG11 H 1 0.723 0.000 . . . . . . . 100 VAL HG1 . 52958 1 218 . 1 . 1 100 100 VAL HG12 H 1 0.723 0.000 . . . . . . . 100 VAL HG1 . 52958 1 219 . 1 . 1 100 100 VAL HG13 H 1 0.723 0.000 . . . . . . . 100 VAL HG1 . 52958 1 220 . 1 . 1 100 100 VAL HG21 H 1 0.801 0.000 . . . . . . . 100 VAL HG2 . 52958 1 221 . 1 . 1 100 100 VAL HG22 H 1 0.801 0.000 . . . . . . . 100 VAL HG2 . 52958 1 222 . 1 . 1 100 100 VAL HG23 H 1 0.801 0.000 . . . . . . . 100 VAL HG2 . 52958 1 223 . 1 . 1 100 100 VAL CG1 C 13 20.748 0.000 . . . . . . . 100 VAL CG1 . 52958 1 224 . 1 . 1 100 100 VAL CG2 C 13 21.830 0.000 . . . . . . . 100 VAL CG2 . 52958 1 225 . 1 . 1 102 102 VAL HG11 H 1 0.831 0.000 . . . . . . . 102 VAL HG1 . 52958 1 226 . 1 . 1 102 102 VAL HG12 H 1 0.831 0.000 . . . . . . . 102 VAL HG1 . 52958 1 227 . 1 . 1 102 102 VAL HG13 H 1 0.831 0.000 . . . . . . . 102 VAL HG1 . 52958 1 228 . 1 . 1 102 102 VAL HG21 H 1 0.868 0.000 . . . . . . . 102 VAL HG2 . 52958 1 229 . 1 . 1 102 102 VAL HG22 H 1 0.868 0.000 . . . . . . . 102 VAL HG2 . 52958 1 230 . 1 . 1 102 102 VAL HG23 H 1 0.868 0.000 . . . . . . . 102 VAL HG2 . 52958 1 231 . 1 . 1 102 102 VAL CG1 C 13 20.125 0.000 . . . . . . . 102 VAL CG1 . 52958 1 232 . 1 . 1 102 102 VAL CG2 C 13 21.424 0.000 . . . . . . . 102 VAL CG2 . 52958 1 233 . 1 . 1 106 106 LEU HD11 H 1 0.600 0.000 . . . . . . . 106 LEU HD1 . 52958 1 234 . 1 . 1 106 106 LEU HD12 H 1 0.600 0.000 . . . . . . . 106 LEU HD1 . 52958 1 235 . 1 . 1 106 106 LEU HD13 H 1 0.600 0.000 . . . . . . . 106 LEU HD1 . 52958 1 236 . 1 . 1 106 106 LEU HD21 H 1 0.740 0.000 . . . . . . . 106 LEU HD2 . 52958 1 237 . 1 . 1 106 106 LEU HD22 H 1 0.740 0.000 . . . . . . . 106 LEU HD2 . 52958 1 238 . 1 . 1 106 106 LEU HD23 H 1 0.740 0.000 . . . . . . . 106 LEU HD2 . 52958 1 239 . 1 . 1 106 106 LEU CD1 C 13 23.620 0.000 . . . . . . . 106 LEU CD1 . 52958 1 240 . 1 . 1 106 106 LEU CD2 C 13 25.063 0.000 . . . . . . . 106 LEU CD2 . 52958 1 241 . 1 . 1 112 112 ILE HD11 H 1 0.856 0.000 . . . . . . . 112 ILE HD1 . 52958 1 242 . 1 . 1 112 112 ILE HD12 H 1 0.856 0.000 . . . . . . . 112 ILE HD1 . 52958 1 243 . 1 . 1 112 112 ILE HD13 H 1 0.856 0.000 . . . . . . . 112 ILE HD1 . 52958 1 244 . 1 . 1 112 112 ILE CD1 C 13 13.295 0.000 . . . . . . . 112 ILE CD1 . 52958 1 245 . 1 . 1 114 114 ALA HB1 H 1 1.661 0.000 . . . . . . . 114 ALA HB . 52958 1 246 . 1 . 1 114 114 ALA HB2 H 1 1.661 0.000 . . . . . . . 114 ALA HB . 52958 1 247 . 1 . 1 114 114 ALA HB3 H 1 1.661 0.000 . . . . . . . 114 ALA HB . 52958 1 248 . 1 . 1 114 114 ALA CB C 13 19.749 0.000 . . . . . . . 114 ALA CB . 52958 1 249 . 1 . 1 115 115 MET HE1 H 1 2.007 0.000 . . . . . . . 115 MET HE . 52958 1 250 . 1 . 1 115 115 MET HE2 H 1 2.007 0.000 . . . . . . . 115 MET HE . 52958 1 251 . 1 . 1 115 115 MET HE3 H 1 2.007 0.000 . . . . . . . 115 MET HE . 52958 1 252 . 1 . 1 115 115 MET CE C 13 18.024 0.000 . . . . . . . 115 MET CE . 52958 1 253 . 1 . 1 116 116 ILE HD11 H 1 0.749 0.000 . . . . . . . 116 ILE HD1 . 52958 1 254 . 1 . 1 116 116 ILE HD12 H 1 0.749 0.000 . . . . . . . 116 ILE HD1 . 52958 1 255 . 1 . 1 116 116 ILE HD13 H 1 0.749 0.000 . . . . . . . 116 ILE HD1 . 52958 1 256 . 1 . 1 116 116 ILE CD1 C 13 13.541 0.000 . . . . . . . 116 ILE CD1 . 52958 1 257 . 1 . 1 117 117 LEU HD11 H 1 0.620 0.000 . . . . . . . 117 LEU HD1 . 52958 1 258 . 1 . 1 117 117 LEU HD12 H 1 0.620 0.000 . . . . . . . 117 LEU HD1 . 52958 1 259 . 1 . 1 117 117 LEU HD13 H 1 0.620 0.000 . . . . . . . 117 LEU HD1 . 52958 1 260 . 1 . 1 117 117 LEU HD21 H 1 0.810 0.000 . . . . . . . 117 LEU HD2 . 52958 1 261 . 1 . 1 117 117 LEU HD22 H 1 0.810 0.000 . . . . . . . 117 LEU HD2 . 52958 1 262 . 1 . 1 117 117 LEU HD23 H 1 0.810 0.000 . . . . . . . 117 LEU HD2 . 52958 1 263 . 1 . 1 117 117 LEU CD1 C 13 25.738 0.000 . . . . . . . 117 LEU CD1 . 52958 1 264 . 1 . 1 117 117 LEU CD2 C 13 25.079 0.000 . . . . . . . 117 LEU CD2 . 52958 1 265 . 1 . 1 120 120 LEU HD11 H 1 0.756 0.000 . . . . . . . 120 LEU HD1 . 52958 1 266 . 1 . 1 120 120 LEU HD12 H 1 0.756 0.000 . . . . . . . 120 LEU HD1 . 52958 1 267 . 1 . 1 120 120 LEU HD13 H 1 0.756 0.000 . . . . . . . 120 LEU HD1 . 52958 1 268 . 1 . 1 120 120 LEU HD21 H 1 0.796 0.000 . . . . . . . 120 LEU HD2 . 52958 1 269 . 1 . 1 120 120 LEU HD22 H 1 0.796 0.000 . . . . . . . 120 LEU HD2 . 52958 1 270 . 1 . 1 120 120 LEU HD23 H 1 0.796 0.000 . . . . . . . 120 LEU HD2 . 52958 1 271 . 1 . 1 120 120 LEU CD1 C 13 23.818 0.000 . . . . . . . 120 LEU CD1 . 52958 1 272 . 1 . 1 120 120 LEU CD2 C 13 26.234 0.000 . . . . . . . 120 LEU CD2 . 52958 1 273 . 1 . 1 121 121 VAL HG11 H 1 0.918 0.000 . . . . . . . 121 VAL HG1 . 52958 1 274 . 1 . 1 121 121 VAL HG12 H 1 0.918 0.000 . . . . . . . 121 VAL HG1 . 52958 1 275 . 1 . 1 121 121 VAL HG13 H 1 0.918 0.000 . . . . . . . 121 VAL HG1 . 52958 1 276 . 1 . 1 121 121 VAL HG21 H 1 0.949 0.000 . . . . . . . 121 VAL HG2 . 52958 1 277 . 1 . 1 121 121 VAL HG22 H 1 0.949 0.000 . . . . . . . 121 VAL HG2 . 52958 1 278 . 1 . 1 121 121 VAL HG23 H 1 0.949 0.000 . . . . . . . 121 VAL HG2 . 52958 1 279 . 1 . 1 121 121 VAL CG1 C 13 21.828 0.000 . . . . . . . 121 VAL CG1 . 52958 1 280 . 1 . 1 121 121 VAL CG2 C 13 22.862 0.000 . . . . . . . 121 VAL CG2 . 52958 1 281 . 1 . 1 124 124 ALA HB1 H 1 1.444 0.000 . . . . . . . 124 ALA HB . 52958 1 282 . 1 . 1 124 124 ALA HB2 H 1 1.444 0.000 . . . . . . . 124 ALA HB . 52958 1 283 . 1 . 1 124 124 ALA HB3 H 1 1.444 0.000 . . . . . . . 124 ALA HB . 52958 1 284 . 1 . 1 124 124 ALA CB C 13 19.429 0.000 . . . . . . . 124 ALA CB . 52958 1 285 . 1 . 1 128 128 LEU HD11 H 1 0.864 0.000 . . . . . . . 128 LEU HD1 . 52958 1 286 . 1 . 1 128 128 LEU HD12 H 1 0.864 0.000 . . . . . . . 128 LEU HD1 . 52958 1 287 . 1 . 1 128 128 LEU HD13 H 1 0.864 0.000 . . . . . . . 128 LEU HD1 . 52958 1 288 . 1 . 1 128 128 LEU HD21 H 1 0.799 0.000 . . . . . . . 128 LEU HD2 . 52958 1 289 . 1 . 1 128 128 LEU HD22 H 1 0.799 0.000 . . . . . . . 128 LEU HD2 . 52958 1 290 . 1 . 1 128 128 LEU HD23 H 1 0.799 0.000 . . . . . . . 128 LEU HD2 . 52958 1 291 . 1 . 1 128 128 LEU CD1 C 13 23.030 0.000 . . . . . . . 128 LEU CD1 . 52958 1 292 . 1 . 1 128 128 LEU CD2 C 13 25.251 0.000 . . . . . . . 128 LEU CD2 . 52958 1 293 . 1 . 1 132 132 ILE HD11 H 1 0.769 0.000 . . . . . . . 132 ILE HD1 . 52958 1 294 . 1 . 1 132 132 ILE HD12 H 1 0.769 0.000 . . . . . . . 132 ILE HD1 . 52958 1 295 . 1 . 1 132 132 ILE HD13 H 1 0.769 0.000 . . . . . . . 132 ILE HD1 . 52958 1 296 . 1 . 1 132 132 ILE CD1 C 13 13.625 0.000 . . . . . . . 132 ILE CD1 . 52958 1 297 . 1 . 1 135 135 ALA HB1 H 1 1.080 0.000 . . . . . . . 135 ALA HB . 52958 1 298 . 1 . 1 135 135 ALA HB2 H 1 1.080 0.000 . . . . . . . 135 ALA HB . 52958 1 299 . 1 . 1 135 135 ALA HB3 H 1 1.080 0.000 . . . . . . . 135 ALA HB . 52958 1 300 . 1 . 1 135 135 ALA CB C 13 24.778 0.000 . . . . . . . 135 ALA CB . 52958 1 301 . 1 . 1 136 136 VAL HG11 H 1 0.771 0.000 . . . . . . . 136 VAL HG1 . 52958 1 302 . 1 . 1 136 136 VAL HG12 H 1 0.771 0.000 . . . . . . . 136 VAL HG1 . 52958 1 303 . 1 . 1 136 136 VAL HG13 H 1 0.771 0.000 . . . . . . . 136 VAL HG1 . 52958 1 304 . 1 . 1 136 136 VAL HG21 H 1 0.870 0.000 . . . . . . . 136 VAL HG2 . 52958 1 305 . 1 . 1 136 136 VAL HG22 H 1 0.870 0.000 . . . . . . . 136 VAL HG2 . 52958 1 306 . 1 . 1 136 136 VAL HG23 H 1 0.870 0.000 . . . . . . . 136 VAL HG2 . 52958 1 307 . 1 . 1 136 136 VAL CG1 C 13 21.131 0.000 . . . . . . . 136 VAL CG1 . 52958 1 308 . 1 . 1 136 136 VAL CG2 C 13 23.000 0.000 . . . . . . . 136 VAL CG2 . 52958 1 309 . 1 . 1 137 137 ILE HD11 H 1 0.669 0.000 . . . . . . . 137 ILE HD1 . 52958 1 310 . 1 . 1 137 137 ILE HD12 H 1 0.669 0.000 . . . . . . . 137 ILE HD1 . 52958 1 311 . 1 . 1 137 137 ILE HD13 H 1 0.669 0.000 . . . . . . . 137 ILE HD1 . 52958 1 312 . 1 . 1 137 137 ILE CD1 C 13 13.908 0.000 . . . . . . . 137 ILE CD1 . 52958 1 313 . 1 . 1 139 139 VAL HG11 H 1 0.498 0.000 . . . . . . . 139 VAL HG1 . 52958 1 314 . 1 . 1 139 139 VAL HG12 H 1 0.498 0.000 . . . . . . . 139 VAL HG1 . 52958 1 315 . 1 . 1 139 139 VAL HG13 H 1 0.498 0.000 . . . . . . . 139 VAL HG1 . 52958 1 316 . 1 . 1 139 139 VAL HG21 H 1 0.917 0.000 . . . . . . . 139 VAL HG2 . 52958 1 317 . 1 . 1 139 139 VAL HG22 H 1 0.917 0.000 . . . . . . . 139 VAL HG2 . 52958 1 318 . 1 . 1 139 139 VAL HG23 H 1 0.917 0.000 . . . . . . . 139 VAL HG2 . 52958 1 319 . 1 . 1 139 139 VAL CG1 C 13 17.690 0.000 . . . . . . . 139 VAL CG1 . 52958 1 320 . 1 . 1 139 139 VAL CG2 C 13 23.780 0.000 . . . . . . . 139 VAL CG2 . 52958 1 321 . 1 . 1 141 141 ALA HB1 H 1 1.337 0.000 . . . . . . . 141 ALA HB . 52958 1 322 . 1 . 1 141 141 ALA HB2 H 1 1.337 0.000 . . . . . . . 141 ALA HB . 52958 1 323 . 1 . 1 141 141 ALA HB3 H 1 1.337 0.000 . . . . . . . 141 ALA HB . 52958 1 324 . 1 . 1 141 141 ALA CB C 13 17.729 0.000 . . . . . . . 141 ALA CB . 52958 1 325 . 1 . 1 146 146 ALA HB1 H 1 1.528 0.000 . . . . . . . 146 ALA HB . 52958 1 326 . 1 . 1 146 146 ALA HB2 H 1 1.528 0.000 . . . . . . . 146 ALA HB . 52958 1 327 . 1 . 1 146 146 ALA HB3 H 1 1.528 0.000 . . . . . . . 146 ALA HB . 52958 1 328 . 1 . 1 146 146 ALA CB C 13 17.846 0.000 . . . . . . . 146 ALA CB . 52958 1 329 . 1 . 1 150 150 ALA HB1 H 1 1.469 0.000 . . . . . . . 150 ALA HB . 52958 1 330 . 1 . 1 150 150 ALA HB2 H 1 1.469 0.000 . . . . . . . 150 ALA HB . 52958 1 331 . 1 . 1 150 150 ALA HB3 H 1 1.469 0.000 . . . . . . . 150 ALA HB . 52958 1 332 . 1 . 1 150 150 ALA CB C 13 19.893 0.000 . . . . . . . 150 ALA CB . 52958 1 333 . 1 . 1 152 152 ALA HB1 H 1 1.479 0.000 . . . . . . . 152 ALA HB . 52958 1 334 . 1 . 1 152 152 ALA HB2 H 1 1.479 0.000 . . . . . . . 152 ALA HB . 52958 1 335 . 1 . 1 152 152 ALA HB3 H 1 1.479 0.000 . . . . . . . 152 ALA HB . 52958 1 336 . 1 . 1 152 152 ALA CB C 13 17.032 0.000 . . . . . . . 152 ALA CB . 52958 1 337 . 1 . 1 154 154 ALA HB1 H 1 1.502 0.000 . . . . . . . 154 ALA HB . 52958 1 338 . 1 . 1 154 154 ALA HB2 H 1 1.502 0.000 . . . . . . . 154 ALA HB . 52958 1 339 . 1 . 1 154 154 ALA HB3 H 1 1.502 0.000 . . . . . . . 154 ALA HB . 52958 1 340 . 1 . 1 154 154 ALA CB C 13 18.499 0.000 . . . . . . . 154 ALA CB . 52958 1 341 . 1 . 1 157 157 ILE HD11 H 1 0.687 0.000 . . . . . . . 157 ILE HD1 . 52958 1 342 . 1 . 1 157 157 ILE HD12 H 1 0.687 0.000 . . . . . . . 157 ILE HD1 . 52958 1 343 . 1 . 1 157 157 ILE HD13 H 1 0.687 0.000 . . . . . . . 157 ILE HD1 . 52958 1 344 . 1 . 1 157 157 ILE CD1 C 13 13.955 0.000 . . . . . . . 157 ILE CD1 . 52958 1 345 . 1 . 1 158 158 ALA HB1 H 1 1.541 0.000 . . . . . . . 158 ALA HB . 52958 1 346 . 1 . 1 158 158 ALA HB2 H 1 1.541 0.000 . . . . . . . 158 ALA HB . 52958 1 347 . 1 . 1 158 158 ALA HB3 H 1 1.541 0.000 . . . . . . . 158 ALA HB . 52958 1 348 . 1 . 1 158 158 ALA CB C 13 19.341 0.000 . . . . . . . 158 ALA CB . 52958 1 349 . 1 . 1 160 160 LEU HD11 H 1 0.546 0.000 . . . . . . . 160 LEU HD1 . 52958 1 350 . 1 . 1 160 160 LEU HD12 H 1 0.546 0.000 . . . . . . . 160 LEU HD1 . 52958 1 351 . 1 . 1 160 160 LEU HD13 H 1 0.546 0.000 . . . . . . . 160 LEU HD1 . 52958 1 352 . 1 . 1 160 160 LEU HD21 H 1 0.532 0.000 . . . . . . . 160 LEU HD2 . 52958 1 353 . 1 . 1 160 160 LEU HD22 H 1 0.532 0.000 . . . . . . . 160 LEU HD2 . 52958 1 354 . 1 . 1 160 160 LEU HD23 H 1 0.532 0.000 . . . . . . . 160 LEU HD2 . 52958 1 355 . 1 . 1 160 160 LEU CD1 C 13 22.827 0.000 . . . . . . . 160 LEU CD1 . 52958 1 356 . 1 . 1 160 160 LEU CD2 C 13 24.945 0.000 . . . . . . . 160 LEU CD2 . 52958 1 357 . 1 . 1 162 162 VAL HG11 H 1 0.758 0.000 . . . . . . . 162 VAL HG1 . 52958 1 358 . 1 . 1 162 162 VAL HG12 H 1 0.758 0.000 . . . . . . . 162 VAL HG1 . 52958 1 359 . 1 . 1 162 162 VAL HG13 H 1 0.758 0.000 . . . . . . . 162 VAL HG1 . 52958 1 360 . 1 . 1 162 162 VAL HG21 H 1 0.946 0.000 . . . . . . . 162 VAL HG2 . 52958 1 361 . 1 . 1 162 162 VAL HG22 H 1 0.946 0.000 . . . . . . . 162 VAL HG2 . 52958 1 362 . 1 . 1 162 162 VAL HG23 H 1 0.946 0.000 . . . . . . . 162 VAL HG2 . 52958 1 363 . 1 . 1 162 162 VAL CG1 C 13 21.183 0.000 . . . . . . . 162 VAL CG1 . 52958 1 364 . 1 . 1 162 162 VAL CG2 C 13 21.748 0.000 . . . . . . . 162 VAL CG2 . 52958 1 365 . 1 . 1 163 163 LEU HD11 H 1 0.815 0.000 . . . . . . . 163 LEU HD1 . 52958 1 366 . 1 . 1 163 163 LEU HD12 H 1 0.815 0.000 . . . . . . . 163 LEU HD1 . 52958 1 367 . 1 . 1 163 163 LEU HD13 H 1 0.815 0.000 . . . . . . . 163 LEU HD1 . 52958 1 368 . 1 . 1 163 163 LEU HD21 H 1 0.826 0.000 . . . . . . . 163 LEU HD2 . 52958 1 369 . 1 . 1 163 163 LEU HD22 H 1 0.826 0.000 . . . . . . . 163 LEU HD2 . 52958 1 370 . 1 . 1 163 163 LEU HD23 H 1 0.826 0.000 . . . . . . . 163 LEU HD2 . 52958 1 371 . 1 . 1 163 163 LEU CD1 C 13 22.111 0.000 . . . . . . . 163 LEU CD1 . 52958 1 372 . 1 . 1 163 163 LEU CD2 C 13 25.903 0.000 . . . . . . . 163 LEU CD2 . 52958 1 373 . 1 . 1 165 165 ILE HD11 H 1 0.659 0.000 . . . . . . . 165 ILE HD1 . 52958 1 374 . 1 . 1 165 165 ILE HD12 H 1 0.659 0.000 . . . . . . . 165 ILE HD1 . 52958 1 375 . 1 . 1 165 165 ILE HD13 H 1 0.659 0.000 . . . . . . . 165 ILE HD1 . 52958 1 376 . 1 . 1 165 165 ILE CD1 C 13 11.599 0.000 . . . . . . . 165 ILE CD1 . 52958 1 377 . 1 . 1 166 166 ILE HD11 H 1 0.507 0.000 . . . . . . . 166 ILE HD1 . 52958 1 378 . 1 . 1 166 166 ILE HD12 H 1 0.507 0.000 . . . . . . . 166 ILE HD1 . 52958 1 379 . 1 . 1 166 166 ILE HD13 H 1 0.507 0.000 . . . . . . . 166 ILE HD1 . 52958 1 380 . 1 . 1 166 166 ILE CD1 C 13 13.210 0.000 . . . . . . . 166 ILE CD1 . 52958 1 381 . 1 . 1 171 171 ALA HB1 H 1 1.569 0.000 . . . . . . . 171 ALA HB . 52958 1 382 . 1 . 1 171 171 ALA HB2 H 1 1.569 0.000 . . . . . . . 171 ALA HB . 52958 1 383 . 1 . 1 171 171 ALA HB3 H 1 1.569 0.000 . . . . . . . 171 ALA HB . 52958 1 384 . 1 . 1 171 171 ALA CB C 13 18.750 0.000 . . . . . . . 171 ALA CB . 52958 1 385 . 1 . 1 172 172 ALA HB1 H 1 1.321 0.000 . . . . . . . 172 ALA HB . 52958 1 386 . 1 . 1 172 172 ALA HB2 H 1 1.321 0.000 . . . . . . . 172 ALA HB . 52958 1 387 . 1 . 1 172 172 ALA HB3 H 1 1.321 0.000 . . . . . . . 172 ALA HB . 52958 1 388 . 1 . 1 172 172 ALA CB C 13 18.856 0.000 . . . . . . . 172 ALA CB . 52958 1 389 . 1 . 1 173 173 ALA HB1 H 1 1.217 0.000 . . . . . . . 173 ALA HB . 52958 1 390 . 1 . 1 173 173 ALA HB2 H 1 1.217 0.000 . . . . . . . 173 ALA HB . 52958 1 391 . 1 . 1 173 173 ALA HB3 H 1 1.217 0.000 . . . . . . . 173 ALA HB . 52958 1 392 . 1 . 1 173 173 ALA CB C 13 18.197 0.000 . . . . . . . 173 ALA CB . 52958 1 393 . 1 . 1 174 174 LEU HD11 H 1 0.811 0.000 . . . . . . . 174 LEU HD1 . 52958 1 394 . 1 . 1 174 174 LEU HD12 H 1 0.811 0.000 . . . . . . . 174 LEU HD1 . 52958 1 395 . 1 . 1 174 174 LEU HD13 H 1 0.811 0.000 . . . . . . . 174 LEU HD1 . 52958 1 396 . 1 . 1 174 174 LEU HD21 H 1 0.665 0.000 . . . . . . . 174 LEU HD2 . 52958 1 397 . 1 . 1 174 174 LEU HD22 H 1 0.665 0.000 . . . . . . . 174 LEU HD2 . 52958 1 398 . 1 . 1 174 174 LEU HD23 H 1 0.665 0.000 . . . . . . . 174 LEU HD2 . 52958 1 399 . 1 . 1 174 174 LEU CD1 C 13 22.980 0.000 . . . . . . . 174 LEU CD1 . 52958 1 400 . 1 . 1 174 174 LEU CD2 C 13 24.992 0.000 . . . . . . . 174 LEU CD2 . 52958 1 401 . 1 . 1 175 175 ALA HB1 H 1 1.409 0.000 . . . . . . . 175 ALA HB . 52958 1 402 . 1 . 1 175 175 ALA HB2 H 1 1.409 0.000 . . . . . . . 175 ALA HB . 52958 1 403 . 1 . 1 175 175 ALA HB3 H 1 1.409 0.000 . . . . . . . 175 ALA HB . 52958 1 404 . 1 . 1 175 175 ALA CB C 13 19.206 0.000 . . . . . . . 175 ALA CB . 52958 1 405 . 1 . 1 178 178 LEU HD11 H 1 0.737 0.000 . . . . . . . 178 LEU HD1 . 52958 1 406 . 1 . 1 178 178 LEU HD12 H 1 0.737 0.000 . . . . . . . 178 LEU HD1 . 52958 1 407 . 1 . 1 178 178 LEU HD13 H 1 0.737 0.000 . . . . . . . 178 LEU HD1 . 52958 1 408 . 1 . 1 178 178 LEU HD21 H 1 0.753 0.000 . . . . . . . 178 LEU HD2 . 52958 1 409 . 1 . 1 178 178 LEU HD22 H 1 0.753 0.000 . . . . . . . 178 LEU HD2 . 52958 1 410 . 1 . 1 178 178 LEU HD23 H 1 0.753 0.000 . . . . . . . 178 LEU HD2 . 52958 1 411 . 1 . 1 178 178 LEU CD1 C 13 21.896 0.000 . . . . . . . 178 LEU CD1 . 52958 1 412 . 1 . 1 178 178 LEU CD2 C 13 25.955 0.000 . . . . . . . 178 LEU CD2 . 52958 1 413 . 1 . 1 186 186 VAL HG11 H 1 0.680 0.000 . . . . . . . 186 VAL HG1 . 52958 1 414 . 1 . 1 186 186 VAL HG12 H 1 0.680 0.000 . . . . . . . 186 VAL HG1 . 52958 1 415 . 1 . 1 186 186 VAL HG13 H 1 0.680 0.000 . . . . . . . 186 VAL HG1 . 52958 1 416 . 1 . 1 186 186 VAL HG21 H 1 0.780 0.000 . . . . . . . 186 VAL HG2 . 52958 1 417 . 1 . 1 186 186 VAL HG22 H 1 0.780 0.000 . . . . . . . 186 VAL HG2 . 52958 1 418 . 1 . 1 186 186 VAL HG23 H 1 0.780 0.000 . . . . . . . 186 VAL HG2 . 52958 1 419 . 1 . 1 186 186 VAL CG1 C 13 21.055 0.000 . . . . . . . 186 VAL CG1 . 52958 1 420 . 1 . 1 186 186 VAL CG2 C 13 21.578 0.000 . . . . . . . 186 VAL CG2 . 52958 1 421 . 1 . 1 187 187 LEU HD11 H 1 0.838 0.000 . . . . . . . 187 LEU HD1 . 52958 1 422 . 1 . 1 187 187 LEU HD12 H 1 0.838 0.000 . . . . . . . 187 LEU HD1 . 52958 1 423 . 1 . 1 187 187 LEU HD13 H 1 0.838 0.000 . . . . . . . 187 LEU HD1 . 52958 1 424 . 1 . 1 187 187 LEU HD21 H 1 0.937 0.000 . . . . . . . 187 LEU HD2 . 52958 1 425 . 1 . 1 187 187 LEU HD22 H 1 0.937 0.000 . . . . . . . 187 LEU HD2 . 52958 1 426 . 1 . 1 187 187 LEU HD23 H 1 0.937 0.000 . . . . . . . 187 LEU HD2 . 52958 1 427 . 1 . 1 187 187 LEU CD1 C 13 27.086 0.000 . . . . . . . 187 LEU CD1 . 52958 1 428 . 1 . 1 187 187 LEU CD2 C 13 25.686 0.000 . . . . . . . 187 LEU CD2 . 52958 1 429 . 1 . 1 188 188 VAL HG11 H 1 0.725 0.000 . . . . . . . 188 VAL HG1 . 52958 1 430 . 1 . 1 188 188 VAL HG12 H 1 0.725 0.000 . . . . . . . 188 VAL HG1 . 52958 1 431 . 1 . 1 188 188 VAL HG13 H 1 0.725 0.000 . . . . . . . 188 VAL HG1 . 52958 1 432 . 1 . 1 188 188 VAL HG21 H 1 0.785 0.000 . . . . . . . 188 VAL HG2 . 52958 1 433 . 1 . 1 188 188 VAL HG22 H 1 0.785 0.000 . . . . . . . 188 VAL HG2 . 52958 1 434 . 1 . 1 188 188 VAL HG23 H 1 0.785 0.000 . . . . . . . 188 VAL HG2 . 52958 1 435 . 1 . 1 188 188 VAL CG1 C 13 19.829 0.000 . . . . . . . 188 VAL CG1 . 52958 1 436 . 1 . 1 188 188 VAL CG2 C 13 22.500 0.000 . . . . . . . 188 VAL CG2 . 52958 1 437 . 1 . 1 191 191 LEU HD11 H 1 0.746 0.000 . . . . . . . 191 LEU HD1 . 52958 1 438 . 1 . 1 191 191 LEU HD12 H 1 0.746 0.000 . . . . . . . 191 LEU HD1 . 52958 1 439 . 1 . 1 191 191 LEU HD13 H 1 0.746 0.000 . . . . . . . 191 LEU HD1 . 52958 1 440 . 1 . 1 191 191 LEU HD21 H 1 0.553 0.000 . . . . . . . 191 LEU HD2 . 52958 1 441 . 1 . 1 191 191 LEU HD22 H 1 0.553 0.000 . . . . . . . 191 LEU HD2 . 52958 1 442 . 1 . 1 191 191 LEU HD23 H 1 0.553 0.000 . . . . . . . 191 LEU HD2 . 52958 1 443 . 1 . 1 191 191 LEU CD1 C 13 24.358 0.000 . . . . . . . 191 LEU CD1 . 52958 1 444 . 1 . 1 191 191 LEU CD2 C 13 27.205 0.000 . . . . . . . 191 LEU CD2 . 52958 1 445 . 1 . 1 198 198 VAL HG11 H 1 0.622 0.000 . . . . . . . 198 VAL HG1 . 52958 1 446 . 1 . 1 198 198 VAL HG12 H 1 0.622 0.000 . . . . . . . 198 VAL HG1 . 52958 1 447 . 1 . 1 198 198 VAL HG13 H 1 0.622 0.000 . . . . . . . 198 VAL HG1 . 52958 1 448 . 1 . 1 198 198 VAL HG21 H 1 0.067 0.000 . . . . . . . 198 VAL HG2 . 52958 1 449 . 1 . 1 198 198 VAL HG22 H 1 0.067 0.000 . . . . . . . 198 VAL HG2 . 52958 1 450 . 1 . 1 198 198 VAL HG23 H 1 0.067 0.000 . . . . . . . 198 VAL HG2 . 52958 1 451 . 1 . 1 198 198 VAL CG1 C 13 21.776 0.000 . . . . . . . 198 VAL CG1 . 52958 1 452 . 1 . 1 198 198 VAL CG2 C 13 22.914 0.000 . . . . . . . 198 VAL CG2 . 52958 1 453 . 1 . 1 200 200 ILE HD11 H 1 0.627 0.000 . . . . . . . 200 ILE HD1 . 52958 1 454 . 1 . 1 200 200 ILE HD12 H 1 0.627 0.000 . . . . . . . 200 ILE HD1 . 52958 1 455 . 1 . 1 200 200 ILE HD13 H 1 0.627 0.000 . . . . . . . 200 ILE HD1 . 52958 1 456 . 1 . 1 200 200 ILE CD1 C 13 12.812 0.000 . . . . . . . 200 ILE CD1 . 52958 1 457 . 1 . 1 201 201 LEU HD11 H 1 0.663 0.000 . . . . . . . 201 LEU HD1 . 52958 1 458 . 1 . 1 201 201 LEU HD12 H 1 0.663 0.000 . . . . . . . 201 LEU HD1 . 52958 1 459 . 1 . 1 201 201 LEU HD13 H 1 0.663 0.000 . . . . . . . 201 LEU HD1 . 52958 1 460 . 1 . 1 201 201 LEU HD21 H 1 0.559 0.000 . . . . . . . 201 LEU HD2 . 52958 1 461 . 1 . 1 201 201 LEU HD22 H 1 0.559 0.000 . . . . . . . 201 LEU HD2 . 52958 1 462 . 1 . 1 201 201 LEU HD23 H 1 0.559 0.000 . . . . . . . 201 LEU HD2 . 52958 1 463 . 1 . 1 201 201 LEU CD1 C 13 25.371 0.000 . . . . . . . 201 LEU CD1 . 52958 1 464 . 1 . 1 201 201 LEU CD2 C 13 25.915 0.000 . . . . . . . 201 LEU CD2 . 52958 1 465 . 1 . 1 203 203 ILE HD11 H 1 0.638 0.000 . . . . . . . 203 ILE HD1 . 52958 1 466 . 1 . 1 203 203 ILE HD12 H 1 0.638 0.000 . . . . . . . 203 ILE HD1 . 52958 1 467 . 1 . 1 203 203 ILE HD13 H 1 0.638 0.000 . . . . . . . 203 ILE HD1 . 52958 1 468 . 1 . 1 203 203 ILE CD1 C 13 14.890 0.000 . . . . . . . 203 ILE CD1 . 52958 1 469 . 1 . 1 207 207 VAL HG11 H 1 0.841 0.000 . . . . . . . 207 VAL HG1 . 52958 1 470 . 1 . 1 207 207 VAL HG12 H 1 0.841 0.000 . . . . . . . 207 VAL HG1 . 52958 1 471 . 1 . 1 207 207 VAL HG13 H 1 0.841 0.000 . . . . . . . 207 VAL HG1 . 52958 1 472 . 1 . 1 207 207 VAL HG21 H 1 0.861 0.000 . . . . . . . 207 VAL HG2 . 52958 1 473 . 1 . 1 207 207 VAL HG22 H 1 0.861 0.000 . . . . . . . 207 VAL HG2 . 52958 1 474 . 1 . 1 207 207 VAL HG23 H 1 0.861 0.000 . . . . . . . 207 VAL HG2 . 52958 1 475 . 1 . 1 207 207 VAL CG1 C 13 20.326 0.000 . . . . . . . 207 VAL CG1 . 52958 1 476 . 1 . 1 207 207 VAL CG2 C 13 21.027 0.000 . . . . . . . 207 VAL CG2 . 52958 1 477 . 1 . 1 210 210 VAL HG11 H 1 0.847 0.000 . . . . . . . 210 VAL HG1 . 52958 1 478 . 1 . 1 210 210 VAL HG12 H 1 0.847 0.000 . . . . . . . 210 VAL HG1 . 52958 1 479 . 1 . 1 210 210 VAL HG13 H 1 0.847 0.000 . . . . . . . 210 VAL HG1 . 52958 1 480 . 1 . 1 210 210 VAL HG21 H 1 0.782 0.000 . . . . . . . 210 VAL HG2 . 52958 1 481 . 1 . 1 210 210 VAL HG22 H 1 0.782 0.000 . . . . . . . 210 VAL HG2 . 52958 1 482 . 1 . 1 210 210 VAL HG23 H 1 0.782 0.000 . . . . . . . 210 VAL HG2 . 52958 1 483 . 1 . 1 210 210 VAL CG1 C 13 20.985 0.000 . . . . . . . 210 VAL CG1 . 52958 1 484 . 1 . 1 210 210 VAL CG2 C 13 21.960 0.000 . . . . . . . 210 VAL CG2 . 52958 1 485 . 1 . 1 212 212 ALA HB1 H 1 1.465 0.000 . . . . . . . 212 ALA HB . 52958 1 486 . 1 . 1 212 212 ALA HB2 H 1 1.465 0.000 . . . . . . . 212 ALA HB . 52958 1 487 . 1 . 1 212 212 ALA HB3 H 1 1.465 0.000 . . . . . . . 212 ALA HB . 52958 1 488 . 1 . 1 212 212 ALA CB C 13 24.047 0.000 . . . . . . . 212 ALA CB . 52958 1 489 . 1 . 1 219 219 LEU HD11 H 1 0.783 0.000 . . . . . . . 219 LEU HD1 . 52958 1 490 . 1 . 1 219 219 LEU HD12 H 1 0.783 0.000 . . . . . . . 219 LEU HD1 . 52958 1 491 . 1 . 1 219 219 LEU HD13 H 1 0.783 0.000 . . . . . . . 219 LEU HD1 . 52958 1 492 . 1 . 1 219 219 LEU HD21 H 1 0.564 0.000 . . . . . . . 219 LEU HD2 . 52958 1 493 . 1 . 1 219 219 LEU HD22 H 1 0.564 0.000 . . . . . . . 219 LEU HD2 . 52958 1 494 . 1 . 1 219 219 LEU HD23 H 1 0.564 0.000 . . . . . . . 219 LEU HD2 . 52958 1 495 . 1 . 1 219 219 LEU CD1 C 13 24.010 0.000 . . . . . . . 219 LEU CD1 . 52958 1 496 . 1 . 1 219 219 LEU CD2 C 13 26.183 0.000 . . . . . . . 219 LEU CD2 . 52958 1 497 . 1 . 1 224 224 MET HE1 H 1 1.934 0.000 . . . . . . . 224 MET HE . 52958 1 498 . 1 . 1 224 224 MET HE2 H 1 1.934 0.000 . . . . . . . 224 MET HE . 52958 1 499 . 1 . 1 224 224 MET HE3 H 1 1.934 0.000 . . . . . . . 224 MET HE . 52958 1 500 . 1 . 1 224 224 MET CE C 13 17.822 0.000 . . . . . . . 224 MET CE . 52958 1 501 . 1 . 1 227 227 ALA HB1 H 1 1.552 0.000 . . . . . . . 227 ALA HB . 52958 1 502 . 1 . 1 227 227 ALA HB2 H 1 1.552 0.000 . . . . . . . 227 ALA HB . 52958 1 503 . 1 . 1 227 227 ALA HB3 H 1 1.552 0.000 . . . . . . . 227 ALA HB . 52958 1 504 . 1 . 1 227 227 ALA CB C 13 17.570 0.000 . . . . . . . 227 ALA CB . 52958 1 505 . 1 . 1 228 228 ILE HD11 H 1 0.855 0.000 . . . . . . . 228 ILE HD1 . 52958 1 506 . 1 . 1 228 228 ILE HD12 H 1 0.855 0.000 . . . . . . . 228 ILE HD1 . 52958 1 507 . 1 . 1 228 228 ILE HD13 H 1 0.855 0.000 . . . . . . . 228 ILE HD1 . 52958 1 508 . 1 . 1 228 228 ILE CD1 C 13 14.175 0.000 . . . . . . . 228 ILE CD1 . 52958 1 509 . 1 . 1 229 229 VAL HG11 H 1 0.837 0.000 . . . . . . . 229 VAL HG1 . 52958 1 510 . 1 . 1 229 229 VAL HG12 H 1 0.837 0.000 . . . . . . . 229 VAL HG1 . 52958 1 511 . 1 . 1 229 229 VAL HG13 H 1 0.837 0.000 . . . . . . . 229 VAL HG1 . 52958 1 512 . 1 . 1 229 229 VAL HG21 H 1 0.848 0.000 . . . . . . . 229 VAL HG2 . 52958 1 513 . 1 . 1 229 229 VAL HG22 H 1 0.848 0.000 . . . . . . . 229 VAL HG2 . 52958 1 514 . 1 . 1 229 229 VAL HG23 H 1 0.848 0.000 . . . . . . . 229 VAL HG2 . 52958 1 515 . 1 . 1 229 229 VAL CG1 C 13 21.032 0.000 . . . . . . . 229 VAL CG1 . 52958 1 516 . 1 . 1 229 229 VAL CG2 C 13 23.943 0.000 . . . . . . . 229 VAL CG2 . 52958 1 517 . 1 . 1 232 232 LEU HD11 H 1 0.599 0.000 . . . . . . . 232 LEU HD1 . 52958 1 518 . 1 . 1 232 232 LEU HD12 H 1 0.599 0.000 . . . . . . . 232 LEU HD1 . 52958 1 519 . 1 . 1 232 232 LEU HD13 H 1 0.599 0.000 . . . . . . . 232 LEU HD1 . 52958 1 520 . 1 . 1 232 232 LEU HD21 H 1 0.804 0.000 . . . . . . . 232 LEU HD2 . 52958 1 521 . 1 . 1 232 232 LEU HD22 H 1 0.804 0.000 . . . . . . . 232 LEU HD2 . 52958 1 522 . 1 . 1 232 232 LEU HD23 H 1 0.804 0.000 . . . . . . . 232 LEU HD2 . 52958 1 523 . 1 . 1 232 232 LEU CD1 C 13 23.480 0.000 . . . . . . . 232 LEU CD1 . 52958 1 524 . 1 . 1 232 232 LEU CD2 C 13 26.569 0.000 . . . . . . . 232 LEU CD2 . 52958 1 525 . 1 . 1 233 233 ALA HB1 H 1 1.520 0.000 . . . . . . . 233 ALA HB . 52958 1 526 . 1 . 1 233 233 ALA HB2 H 1 1.520 0.000 . . . . . . . 233 ALA HB . 52958 1 527 . 1 . 1 233 233 ALA HB3 H 1 1.520 0.000 . . . . . . . 233 ALA HB . 52958 1 528 . 1 . 1 233 233 ALA CB C 13 17.775 0.000 . . . . . . . 233 ALA CB . 52958 1 529 . 1 . 1 242 242 VAL HG11 H 1 0.904 0.000 . . . . . . . 242 VAL HG1 . 52958 1 530 . 1 . 1 242 242 VAL HG12 H 1 0.904 0.000 . . . . . . . 242 VAL HG1 . 52958 1 531 . 1 . 1 242 242 VAL HG13 H 1 0.904 0.000 . . . . . . . 242 VAL HG1 . 52958 1 532 . 1 . 1 242 242 VAL HG21 H 1 0.888 0.000 . . . . . . . 242 VAL HG2 . 52958 1 533 . 1 . 1 242 242 VAL HG22 H 1 0.888 0.000 . . . . . . . 242 VAL HG2 . 52958 1 534 . 1 . 1 242 242 VAL HG23 H 1 0.888 0.000 . . . . . . . 242 VAL HG2 . 52958 1 535 . 1 . 1 242 242 VAL CG1 C 13 20.653 0.000 . . . . . . . 242 VAL CG1 . 52958 1 536 . 1 . 1 242 242 VAL CG2 C 13 21.044 0.000 . . . . . . . 242 VAL CG2 . 52958 1 537 . 1 . 1 244 244 LEU HD11 H 1 0.358 0.000 . . . . . . . 244 LEU HD1 . 52958 1 538 . 1 . 1 244 244 LEU HD12 H 1 0.358 0.000 . . . . . . . 244 LEU HD1 . 52958 1 539 . 1 . 1 244 244 LEU HD13 H 1 0.358 0.000 . . . . . . . 244 LEU HD1 . 52958 1 540 . 1 . 1 244 244 LEU HD21 H 1 0.020 0.000 . . . . . . . 244 LEU HD2 . 52958 1 541 . 1 . 1 244 244 LEU HD22 H 1 0.020 0.000 . . . . . . . 244 LEU HD2 . 52958 1 542 . 1 . 1 244 244 LEU HD23 H 1 0.020 0.000 . . . . . . . 244 LEU HD2 . 52958 1 543 . 1 . 1 244 244 LEU CD1 C 13 22.242 0.000 . . . . . . . 244 LEU CD1 . 52958 1 544 . 1 . 1 244 244 LEU CD2 C 13 25.574 0.000 . . . . . . . 244 LEU CD2 . 52958 1 545 . 1 . 1 246 246 ALA HB1 H 1 1.426 0.000 . . . . . . . 246 ALA HB . 52958 1 546 . 1 . 1 246 246 ALA HB2 H 1 1.426 0.000 . . . . . . . 246 ALA HB . 52958 1 547 . 1 . 1 246 246 ALA HB3 H 1 1.426 0.000 . . . . . . . 246 ALA HB . 52958 1 548 . 1 . 1 246 246 ALA CB C 13 18.910 0.000 . . . . . . . 246 ALA CB . 52958 1 549 . 1 . 1 250 250 ALA HB1 H 1 1.552 0.000 . . . . . . . 250 ALA HB . 52958 1 550 . 1 . 1 250 250 ALA HB2 H 1 1.552 0.000 . . . . . . . 250 ALA HB . 52958 1 551 . 1 . 1 250 250 ALA HB3 H 1 1.552 0.000 . . . . . . . 250 ALA HB . 52958 1 552 . 1 . 1 250 250 ALA CB C 13 18.582 0.000 . . . . . . . 250 ALA CB . 52958 1 553 . 1 . 1 251 251 LEU HD11 H 1 0.924 0.000 . . . . . . . 251 LEU HD1 . 52958 1 554 . 1 . 1 251 251 LEU HD12 H 1 0.924 0.000 . . . . . . . 251 LEU HD1 . 52958 1 555 . 1 . 1 251 251 LEU HD13 H 1 0.924 0.000 . . . . . . . 251 LEU HD1 . 52958 1 556 . 1 . 1 251 251 LEU HD21 H 1 0.955 0.000 . . . . . . . 251 LEU HD2 . 52958 1 557 . 1 . 1 251 251 LEU HD22 H 1 0.955 0.000 . . . . . . . 251 LEU HD2 . 52958 1 558 . 1 . 1 251 251 LEU HD23 H 1 0.955 0.000 . . . . . . . 251 LEU HD2 . 52958 1 559 . 1 . 1 251 251 LEU CD1 C 13 23.330 0.000 . . . . . . . 251 LEU CD1 . 52958 1 560 . 1 . 1 251 251 LEU CD2 C 13 25.051 0.000 . . . . . . . 251 LEU CD2 . 52958 1 561 . 1 . 1 254 254 LEU HD11 H 1 0.638 0.000 . . . . . . . 254 LEU HD1 . 52958 1 562 . 1 . 1 254 254 LEU HD12 H 1 0.638 0.000 . . . . . . . 254 LEU HD1 . 52958 1 563 . 1 . 1 254 254 LEU HD13 H 1 0.638 0.000 . . . . . . . 254 LEU HD1 . 52958 1 564 . 1 . 1 254 254 LEU HD21 H 1 0.657 0.000 . . . . . . . 254 LEU HD2 . 52958 1 565 . 1 . 1 254 254 LEU HD22 H 1 0.657 0.000 . . . . . . . 254 LEU HD2 . 52958 1 566 . 1 . 1 254 254 LEU HD23 H 1 0.657 0.000 . . . . . . . 254 LEU HD2 . 52958 1 567 . 1 . 1 254 254 LEU CD1 C 13 24.682 0.000 . . . . . . . 254 LEU CD1 . 52958 1 568 . 1 . 1 254 254 LEU CD2 C 13 25.375 0.000 . . . . . . . 254 LEU CD2 . 52958 1 569 . 1 . 1 255 255 ILE HD11 H 1 0.737 0.000 . . . . . . . 255 ILE HD1 . 52958 1 570 . 1 . 1 255 255 ILE HD12 H 1 0.737 0.000 . . . . . . . 255 ILE HD1 . 52958 1 571 . 1 . 1 255 255 ILE HD13 H 1 0.737 0.000 . . . . . . . 255 ILE HD1 . 52958 1 572 . 1 . 1 255 255 ILE CD1 C 13 14.029 0.000 . . . . . . . 255 ILE CD1 . 52958 1 573 . 1 . 1 257 257 ALA HB1 H 1 1.500 0.000 . . . . . . . 257 ALA HB . 52958 1 574 . 1 . 1 257 257 ALA HB2 H 1 1.500 0.000 . . . . . . . 257 ALA HB . 52958 1 575 . 1 . 1 257 257 ALA HB3 H 1 1.500 0.000 . . . . . . . 257 ALA HB . 52958 1 576 . 1 . 1 257 257 ALA CB C 13 18.914 0.000 . . . . . . . 257 ALA CB . 52958 1 577 . 1 . 1 258 258 ALA HB1 H 1 1.520 0.000 . . . . . . . 258 ALA HB . 52958 1 578 . 1 . 1 258 258 ALA HB2 H 1 1.520 0.000 . . . . . . . 258 ALA HB . 52958 1 579 . 1 . 1 258 258 ALA HB3 H 1 1.520 0.000 . . . . . . . 258 ALA HB . 52958 1 580 . 1 . 1 258 258 ALA CB C 13 19.913 0.000 . . . . . . . 258 ALA CB . 52958 1 581 . 1 . 1 261 261 ALA HB1 H 1 1.310 0.000 . . . . . . . 261 ALA HB . 52958 1 582 . 1 . 1 261 261 ALA HB2 H 1 1.310 0.000 . . . . . . . 261 ALA HB . 52958 1 583 . 1 . 1 261 261 ALA HB3 H 1 1.310 0.000 . . . . . . . 261 ALA HB . 52958 1 584 . 1 . 1 261 261 ALA CB C 13 18.451 0.000 . . . . . . . 261 ALA CB . 52958 1 585 . 1 . 1 263 263 ILE HD11 H 1 0.215 0.000 . . . . . . . 263 ILE HD1 . 52958 1 586 . 1 . 1 263 263 ILE HD12 H 1 0.215 0.000 . . . . . . . 263 ILE HD1 . 52958 1 587 . 1 . 1 263 263 ILE HD13 H 1 0.215 0.000 . . . . . . . 263 ILE HD1 . 52958 1 588 . 1 . 1 263 263 ILE CD1 C 13 12.544 0.000 . . . . . . . 263 ILE CD1 . 52958 1 589 . 1 . 1 265 265 LEU HD11 H 1 0.533 0.000 . . . . . . . 265 LEU HD1 . 52958 1 590 . 1 . 1 265 265 LEU HD12 H 1 0.533 0.000 . . . . . . . 265 LEU HD1 . 52958 1 591 . 1 . 1 265 265 LEU HD13 H 1 0.533 0.000 . . . . . . . 265 LEU HD1 . 52958 1 592 . 1 . 1 265 265 LEU HD21 H 1 0.308 0.000 . . . . . . . 265 LEU HD2 . 52958 1 593 . 1 . 1 265 265 LEU HD22 H 1 0.308 0.000 . . . . . . . 265 LEU HD2 . 52958 1 594 . 1 . 1 265 265 LEU HD23 H 1 0.308 0.000 . . . . . . . 265 LEU HD2 . 52958 1 595 . 1 . 1 265 265 LEU CD1 C 13 22.223 0.000 . . . . . . . 265 LEU CD1 . 52958 1 596 . 1 . 1 265 265 LEU CD2 C 13 25.952 0.000 . . . . . . . 265 LEU CD2 . 52958 1 597 . 1 . 1 269 269 LEU HD11 H 1 0.828 0.000 . . . . . . . 269 LEU HD1 . 52958 1 598 . 1 . 1 269 269 LEU HD12 H 1 0.828 0.000 . . . . . . . 269 LEU HD1 . 52958 1 599 . 1 . 1 269 269 LEU HD13 H 1 0.828 0.000 . . . . . . . 269 LEU HD1 . 52958 1 600 . 1 . 1 269 269 LEU HD21 H 1 0.947 0.000 . . . . . . . 269 LEU HD2 . 52958 1 601 . 1 . 1 269 269 LEU HD22 H 1 0.947 0.000 . . . . . . . 269 LEU HD2 . 52958 1 602 . 1 . 1 269 269 LEU HD23 H 1 0.947 0.000 . . . . . . . 269 LEU HD2 . 52958 1 603 . 1 . 1 269 269 LEU CD1 C 13 22.132 0.000 . . . . . . . 269 LEU CD1 . 52958 1 604 . 1 . 1 269 269 LEU CD2 C 13 24.765 0.000 . . . . . . . 269 LEU CD2 . 52958 1 605 . 1 . 1 273 273 ILE HD11 H 1 0.866 0.000 . . . . . . . 273 ILE HD1 . 52958 1 606 . 1 . 1 273 273 ILE HD12 H 1 0.866 0.000 . . . . . . . 273 ILE HD1 . 52958 1 607 . 1 . 1 273 273 ILE HD13 H 1 0.866 0.000 . . . . . . . 273 ILE HD1 . 52958 1 608 . 1 . 1 273 273 ILE CD1 C 13 15.308 0.000 . . . . . . . 273 ILE CD1 . 52958 1 609 . 1 . 1 275 275 LEU HD11 H 1 0.938 0.000 . . . . . . . 275 LEU HD1 . 52958 1 610 . 1 . 1 275 275 LEU HD12 H 1 0.938 0.000 . . . . . . . 275 LEU HD1 . 52958 1 611 . 1 . 1 275 275 LEU HD13 H 1 0.938 0.000 . . . . . . . 275 LEU HD1 . 52958 1 612 . 1 . 1 275 275 LEU HD21 H 1 0.686 0.000 . . . . . . . 275 LEU HD2 . 52958 1 613 . 1 . 1 275 275 LEU HD22 H 1 0.686 0.000 . . . . . . . 275 LEU HD2 . 52958 1 614 . 1 . 1 275 275 LEU HD23 H 1 0.686 0.000 . . . . . . . 275 LEU HD2 . 52958 1 615 . 1 . 1 275 275 LEU CD1 C 13 24.688 0.000 . . . . . . . 275 LEU CD1 . 52958 1 616 . 1 . 1 275 275 LEU CD2 C 13 26.619 0.000 . . . . . . . 275 LEU CD2 . 52958 1 617 . 1 . 1 278 278 ILE HD11 H 1 0.847 0.000 . . . . . . . 278 ILE HD1 . 52958 1 618 . 1 . 1 278 278 ILE HD12 H 1 0.847 0.000 . . . . . . . 278 ILE HD1 . 52958 1 619 . 1 . 1 278 278 ILE HD13 H 1 0.847 0.000 . . . . . . . 278 ILE HD1 . 52958 1 620 . 1 . 1 278 278 ILE CD1 C 13 15.260 0.000 . . . . . . . 278 ILE CD1 . 52958 1 621 . 1 . 1 279 279 ALA HB1 H 1 1.301 0.000 . . . . . . . 279 ALA HB . 52958 1 622 . 1 . 1 279 279 ALA HB2 H 1 1.301 0.000 . . . . . . . 279 ALA HB . 52958 1 623 . 1 . 1 279 279 ALA HB3 H 1 1.301 0.000 . . . . . . . 279 ALA HB . 52958 1 624 . 1 . 1 279 279 ALA CB C 13 23.035 0.000 . . . . . . . 279 ALA CB . 52958 1 625 . 1 . 1 280 280 LEU HD11 H 1 0.684 0.000 . . . . . . . 280 LEU HD1 . 52958 1 626 . 1 . 1 280 280 LEU HD12 H 1 0.684 0.000 . . . . . . . 280 LEU HD1 . 52958 1 627 . 1 . 1 280 280 LEU HD13 H 1 0.684 0.000 . . . . . . . 280 LEU HD1 . 52958 1 628 . 1 . 1 280 280 LEU HD21 H 1 0.754 0.000 . . . . . . . 280 LEU HD2 . 52958 1 629 . 1 . 1 280 280 LEU HD22 H 1 0.754 0.000 . . . . . . . 280 LEU HD2 . 52958 1 630 . 1 . 1 280 280 LEU HD23 H 1 0.754 0.000 . . . . . . . 280 LEU HD2 . 52958 1 631 . 1 . 1 280 280 LEU CD1 C 13 23.291 0.000 . . . . . . . 280 LEU CD1 . 52958 1 632 . 1 . 1 280 280 LEU CD2 C 13 24.800 0.000 . . . . . . . 280 LEU CD2 . 52958 1 633 . 1 . 1 283 283 ALA HB1 H 1 1.481 0.000 . . . . . . . 283 ALA HB . 52958 1 634 . 1 . 1 283 283 ALA HB2 H 1 1.481 0.000 . . . . . . . 283 ALA HB . 52958 1 635 . 1 . 1 283 283 ALA HB3 H 1 1.481 0.000 . . . . . . . 283 ALA HB . 52958 1 636 . 1 . 1 283 283 ALA CB C 13 19.362 0.000 . . . . . . . 283 ALA CB . 52958 1 637 . 1 . 1 288 288 LEU HD11 H 1 0.409 0.000 . . . . . . . 288 LEU HD1 . 52958 1 638 . 1 . 1 288 288 LEU HD12 H 1 0.409 0.000 . . . . . . . 288 LEU HD1 . 52958 1 639 . 1 . 1 288 288 LEU HD13 H 1 0.409 0.000 . . . . . . . 288 LEU HD1 . 52958 1 640 . 1 . 1 288 288 LEU HD21 H 1 0.483 0.000 . . . . . . . 288 LEU HD2 . 52958 1 641 . 1 . 1 288 288 LEU HD22 H 1 0.483 0.000 . . . . . . . 288 LEU HD2 . 52958 1 642 . 1 . 1 288 288 LEU HD23 H 1 0.483 0.000 . . . . . . . 288 LEU HD2 . 52958 1 643 . 1 . 1 288 288 LEU CD1 C 13 25.393 0.000 . . . . . . . 288 LEU CD1 . 52958 1 644 . 1 . 1 288 288 LEU CD2 C 13 22.505 0.000 . . . . . . . 288 LEU CD2 . 52958 1 645 . 1 . 1 290 290 LEU HD11 H 1 0.658 0.000 . . . . . . . 290 LEU HD1 . 52958 1 646 . 1 . 1 290 290 LEU HD12 H 1 0.658 0.000 . . . . . . . 290 LEU HD1 . 52958 1 647 . 1 . 1 290 290 LEU HD13 H 1 0.658 0.000 . . . . . . . 290 LEU HD1 . 52958 1 648 . 1 . 1 290 290 LEU HD21 H 1 0.656 0.000 . . . . . . . 290 LEU HD2 . 52958 1 649 . 1 . 1 290 290 LEU HD22 H 1 0.656 0.000 . . . . . . . 290 LEU HD2 . 52958 1 650 . 1 . 1 290 290 LEU HD23 H 1 0.656 0.000 . . . . . . . 290 LEU HD2 . 52958 1 651 . 1 . 1 290 290 LEU CD1 C 13 25.291 0.000 . . . . . . . 290 LEU CD1 . 52958 1 652 . 1 . 1 290 290 LEU CD2 C 13 26.096 0.000 . . . . . . . 290 LEU CD2 . 52958 1 653 . 1 . 1 294 294 LEU HD11 H 1 0.401 0.000 . . . . . . . 294 LEU HD1 . 52958 1 654 . 1 . 1 294 294 LEU HD12 H 1 0.401 0.000 . . . . . . . 294 LEU HD1 . 52958 1 655 . 1 . 1 294 294 LEU HD13 H 1 0.401 0.000 . . . . . . . 294 LEU HD1 . 52958 1 656 . 1 . 1 294 294 LEU HD21 H 1 0.638 0.000 . . . . . . . 294 LEU HD2 . 52958 1 657 . 1 . 1 294 294 LEU HD22 H 1 0.638 0.000 . . . . . . . 294 LEU HD2 . 52958 1 658 . 1 . 1 294 294 LEU HD23 H 1 0.638 0.000 . . . . . . . 294 LEU HD2 . 52958 1 659 . 1 . 1 294 294 LEU CD1 C 13 22.211 0.000 . . . . . . . 294 LEU CD1 . 52958 1 660 . 1 . 1 294 294 LEU CD2 C 13 27.007 0.000 . . . . . . . 294 LEU CD2 . 52958 1 661 . 1 . 1 297 297 ALA HB1 H 1 1.402 0.000 . . . . . . . 297 ALA HB . 52958 1 662 . 1 . 1 297 297 ALA HB2 H 1 1.402 0.000 . . . . . . . 297 ALA HB . 52958 1 663 . 1 . 1 297 297 ALA HB3 H 1 1.402 0.000 . . . . . . . 297 ALA HB . 52958 1 664 . 1 . 1 297 297 ALA CB C 13 18.086 0.000 . . . . . . . 297 ALA CB . 52958 1 665 . 1 . 1 302 302 LEU HD11 H 1 0.726 0.000 . . . . . . . 302 LEU HD1 . 52958 1 666 . 1 . 1 302 302 LEU HD12 H 1 0.726 0.000 . . . . . . . 302 LEU HD1 . 52958 1 667 . 1 . 1 302 302 LEU HD13 H 1 0.726 0.000 . . . . . . . 302 LEU HD1 . 52958 1 668 . 1 . 1 302 302 LEU HD21 H 1 0.393 0.000 . . . . . . . 302 LEU HD2 . 52958 1 669 . 1 . 1 302 302 LEU HD22 H 1 0.393 0.000 . . . . . . . 302 LEU HD2 . 52958 1 670 . 1 . 1 302 302 LEU HD23 H 1 0.393 0.000 . . . . . . . 302 LEU HD2 . 52958 1 671 . 1 . 1 302 302 LEU CD1 C 13 21.208 0.000 . . . . . . . 302 LEU CD1 . 52958 1 672 . 1 . 1 302 302 LEU CD2 C 13 24.904 0.000 . . . . . . . 302 LEU CD2 . 52958 1 673 . 1 . 1 303 303 ILE HD11 H 1 0.432 0.000 . . . . . . . 303 ILE HD1 . 52958 1 674 . 1 . 1 303 303 ILE HD12 H 1 0.432 0.000 . . . . . . . 303 ILE HD1 . 52958 1 675 . 1 . 1 303 303 ILE HD13 H 1 0.432 0.000 . . . . . . . 303 ILE HD1 . 52958 1 676 . 1 . 1 303 303 ILE CD1 C 13 14.763 0.000 . . . . . . . 303 ILE CD1 . 52958 1 677 . 1 . 1 306 306 LEU HD11 H 1 0.781 0.000 . . . . . . . 306 LEU HD1 . 52958 1 678 . 1 . 1 306 306 LEU HD12 H 1 0.781 0.000 . . . . . . . 306 LEU HD1 . 52958 1 679 . 1 . 1 306 306 LEU HD13 H 1 0.781 0.000 . . . . . . . 306 LEU HD1 . 52958 1 680 . 1 . 1 306 306 LEU HD21 H 1 0.753 0.000 . . . . . . . 306 LEU HD2 . 52958 1 681 . 1 . 1 306 306 LEU HD22 H 1 0.753 0.000 . . . . . . . 306 LEU HD2 . 52958 1 682 . 1 . 1 306 306 LEU HD23 H 1 0.753 0.000 . . . . . . . 306 LEU HD2 . 52958 1 683 . 1 . 1 306 306 LEU CD1 C 13 22.561 0.000 . . . . . . . 306 LEU CD1 . 52958 1 684 . 1 . 1 306 306 LEU CD2 C 13 26.462 0.000 . . . . . . . 306 LEU CD2 . 52958 1 685 . 1 . 1 307 307 LEU HD11 H 1 0.524 0.000 . . . . . . . 307 LEU HD1 . 52958 1 686 . 1 . 1 307 307 LEU HD12 H 1 0.524 0.000 . . . . . . . 307 LEU HD1 . 52958 1 687 . 1 . 1 307 307 LEU HD13 H 1 0.524 0.000 . . . . . . . 307 LEU HD1 . 52958 1 688 . 1 . 1 307 307 LEU HD21 H 1 0.693 0.000 . . . . . . . 307 LEU HD2 . 52958 1 689 . 1 . 1 307 307 LEU HD22 H 1 0.693 0.000 . . . . . . . 307 LEU HD2 . 52958 1 690 . 1 . 1 307 307 LEU HD23 H 1 0.693 0.000 . . . . . . . 307 LEU HD2 . 52958 1 691 . 1 . 1 307 307 LEU CD1 C 13 22.009 0.000 . . . . . . . 307 LEU CD1 . 52958 1 692 . 1 . 1 307 307 LEU CD2 C 13 25.763 0.000 . . . . . . . 307 LEU CD2 . 52958 1 693 . 1 . 1 310 310 LEU HD11 H 1 0.851 0.000 . . . . . . . 310 LEU HD1 . 52958 1 694 . 1 . 1 310 310 LEU HD12 H 1 0.851 0.000 . . . . . . . 310 LEU HD1 . 52958 1 695 . 1 . 1 310 310 LEU HD13 H 1 0.851 0.000 . . . . . . . 310 LEU HD1 . 52958 1 696 . 1 . 1 310 310 LEU HD21 H 1 -0.311 0.000 . . . . . . . 310 LEU HD2 . 52958 1 697 . 1 . 1 310 310 LEU HD22 H 1 -0.311 0.000 . . . . . . . 310 LEU HD2 . 52958 1 698 . 1 . 1 310 310 LEU HD23 H 1 -0.311 0.000 . . . . . . . 310 LEU HD2 . 52958 1 699 . 1 . 1 310 310 LEU CD1 C 13 27.234 0.000 . . . . . . . 310 LEU CD1 . 52958 1 700 . 1 . 1 310 310 LEU CD2 C 13 21.208 0.000 . . . . . . . 310 LEU CD2 . 52958 1 701 . 1 . 1 314 314 VAL HG11 H 1 0.930 0.000 . . . . . . . 314 VAL HG1 . 52958 1 702 . 1 . 1 314 314 VAL HG12 H 1 0.930 0.000 . . . . . . . 314 VAL HG1 . 52958 1 703 . 1 . 1 314 314 VAL HG13 H 1 0.930 0.000 . . . . . . . 314 VAL HG1 . 52958 1 704 . 1 . 1 314 314 VAL HG21 H 1 1.374 0.000 . . . . . . . 314 VAL HG2 . 52958 1 705 . 1 . 1 314 314 VAL HG22 H 1 1.374 0.000 . . . . . . . 314 VAL HG2 . 52958 1 706 . 1 . 1 314 314 VAL HG23 H 1 1.374 0.000 . . . . . . . 314 VAL HG2 . 52958 1 707 . 1 . 1 314 314 VAL CG1 C 13 21.763 0.000 . . . . . . . 314 VAL CG1 . 52958 1 708 . 1 . 1 314 314 VAL CG2 C 13 23.663 0.000 . . . . . . . 314 VAL CG2 . 52958 1 709 . 1 . 1 317 317 ALA HB1 H 1 1.176 0.000 . . . . . . . 317 ALA HB . 52958 1 710 . 1 . 1 317 317 ALA HB2 H 1 1.176 0.000 . . . . . . . 317 ALA HB . 52958 1 711 . 1 . 1 317 317 ALA HB3 H 1 1.176 0.000 . . . . . . . 317 ALA HB . 52958 1 712 . 1 . 1 317 317 ALA CB C 13 17.064 0.000 . . . . . . . 317 ALA CB . 52958 1 713 . 1 . 1 318 318 LEU HD11 H 1 0.468 0.000 . . . . . . . 318 LEU HD1 . 52958 1 714 . 1 . 1 318 318 LEU HD12 H 1 0.468 0.000 . . . . . . . 318 LEU HD1 . 52958 1 715 . 1 . 1 318 318 LEU HD13 H 1 0.468 0.000 . . . . . . . 318 LEU HD1 . 52958 1 716 . 1 . 1 318 318 LEU HD21 H 1 0.702 0.000 . . . . . . . 318 LEU HD2 . 52958 1 717 . 1 . 1 318 318 LEU HD22 H 1 0.702 0.000 . . . . . . . 318 LEU HD2 . 52958 1 718 . 1 . 1 318 318 LEU HD23 H 1 0.702 0.000 . . . . . . . 318 LEU HD2 . 52958 1 719 . 1 . 1 318 318 LEU CD1 C 13 23.357 0.000 . . . . . . . 318 LEU CD1 . 52958 1 720 . 1 . 1 318 318 LEU CD2 C 13 26.143 0.000 . . . . . . . 318 LEU CD2 . 52958 1 721 . 1 . 1 321 321 ALA HB1 H 1 1.297 0.000 . . . . . . . 321 ALA HB . 52958 1 722 . 1 . 1 321 321 ALA HB2 H 1 1.297 0.000 . . . . . . . 321 ALA HB . 52958 1 723 . 1 . 1 321 321 ALA HB3 H 1 1.297 0.000 . . . . . . . 321 ALA HB . 52958 1 724 . 1 . 1 321 321 ALA CB C 13 19.709 0.000 . . . . . . . 321 ALA CB . 52958 1 725 . 1 . 1 323 323 LEU HD11 H 1 0.794 0.000 . . . . . . . 323 LEU HD1 . 52958 1 726 . 1 . 1 323 323 LEU HD12 H 1 0.794 0.000 . . . . . . . 323 LEU HD1 . 52958 1 727 . 1 . 1 323 323 LEU HD13 H 1 0.794 0.000 . . . . . . . 323 LEU HD1 . 52958 1 728 . 1 . 1 323 323 LEU HD21 H 1 0.694 0.000 . . . . . . . 323 LEU HD2 . 52958 1 729 . 1 . 1 323 323 LEU HD22 H 1 0.694 0.000 . . . . . . . 323 LEU HD2 . 52958 1 730 . 1 . 1 323 323 LEU HD23 H 1 0.694 0.000 . . . . . . . 323 LEU HD2 . 52958 1 731 . 1 . 1 323 323 LEU CD1 C 13 22.668 0.000 . . . . . . . 323 LEU CD1 . 52958 1 732 . 1 . 1 323 323 LEU CD2 C 13 27.041 0.000 . . . . . . . 323 LEU CD2 . 52958 1 733 . 1 . 1 326 326 ALA HB1 H 1 1.348 0.000 . . . . . . . 326 ALA HB . 52958 1 734 . 1 . 1 326 326 ALA HB2 H 1 1.348 0.000 . . . . . . . 326 ALA HB . 52958 1 735 . 1 . 1 326 326 ALA HB3 H 1 1.348 0.000 . . . . . . . 326 ALA HB . 52958 1 736 . 1 . 1 326 326 ALA CB C 13 18.535 0.000 . . . . . . . 326 ALA CB . 52958 1 737 . 1 . 1 328 328 ILE HD11 H 1 0.508 0.000 . . . . . . . 328 ILE HD1 . 52958 1 738 . 1 . 1 328 328 ILE HD12 H 1 0.508 0.000 . . . . . . . 328 ILE HD1 . 52958 1 739 . 1 . 1 328 328 ILE HD13 H 1 0.508 0.000 . . . . . . . 328 ILE HD1 . 52958 1 740 . 1 . 1 328 328 ILE CD1 C 13 10.122 0.000 . . . . . . . 328 ILE CD1 . 52958 1 741 . 1 . 1 331 331 VAL HG11 H 1 0.755 0.000 . . . . . . . 331 VAL HG1 . 52958 1 742 . 1 . 1 331 331 VAL HG12 H 1 0.755 0.000 . . . . . . . 331 VAL HG1 . 52958 1 743 . 1 . 1 331 331 VAL HG13 H 1 0.755 0.000 . . . . . . . 331 VAL HG1 . 52958 1 744 . 1 . 1 331 331 VAL HG21 H 1 0.791 0.000 . . . . . . . 331 VAL HG2 . 52958 1 745 . 1 . 1 331 331 VAL HG22 H 1 0.791 0.000 . . . . . . . 331 VAL HG2 . 52958 1 746 . 1 . 1 331 331 VAL HG23 H 1 0.791 0.000 . . . . . . . 331 VAL HG2 . 52958 1 747 . 1 . 1 331 331 VAL CG1 C 13 20.305 0.000 . . . . . . . 331 VAL CG1 . 52958 1 748 . 1 . 1 331 331 VAL CG2 C 13 21.780 0.000 . . . . . . . 331 VAL CG2 . 52958 1 749 . 1 . 1 332 332 ILE HD11 H 1 0.387 0.000 . . . . . . . 332 ILE HD1 . 52958 1 750 . 1 . 1 332 332 ILE HD12 H 1 0.387 0.000 . . . . . . . 332 ILE HD1 . 52958 1 751 . 1 . 1 332 332 ILE HD13 H 1 0.387 0.000 . . . . . . . 332 ILE HD1 . 52958 1 752 . 1 . 1 332 332 ILE CD1 C 13 12.527 0.000 . . . . . . . 332 ILE CD1 . 52958 1 753 . 1 . 1 333 333 LEU HD11 H 1 0.802 0.000 . . . . . . . 333 LEU HD1 . 52958 1 754 . 1 . 1 333 333 LEU HD12 H 1 0.802 0.000 . . . . . . . 333 LEU HD1 . 52958 1 755 . 1 . 1 333 333 LEU HD13 H 1 0.802 0.000 . . . . . . . 333 LEU HD1 . 52958 1 756 . 1 . 1 333 333 LEU HD21 H 1 0.820 0.000 . . . . . . . 333 LEU HD2 . 52958 1 757 . 1 . 1 333 333 LEU HD22 H 1 0.820 0.000 . . . . . . . 333 LEU HD2 . 52958 1 758 . 1 . 1 333 333 LEU HD23 H 1 0.820 0.000 . . . . . . . 333 LEU HD2 . 52958 1 759 . 1 . 1 333 333 LEU CD1 C 13 22.940 0.000 . . . . . . . 333 LEU CD1 . 52958 1 760 . 1 . 1 333 333 LEU CD2 C 13 26.004 0.000 . . . . . . . 333 LEU CD2 . 52958 1 761 . 1 . 1 334 334 VAL HG11 H 1 0.879 0.000 . . . . . . . 334 VAL HG1 . 52958 1 762 . 1 . 1 334 334 VAL HG12 H 1 0.879 0.000 . . . . . . . 334 VAL HG1 . 52958 1 763 . 1 . 1 334 334 VAL HG13 H 1 0.879 0.000 . . . . . . . 334 VAL HG1 . 52958 1 764 . 1 . 1 334 334 VAL HG21 H 1 0.729 0.000 . . . . . . . 334 VAL HG2 . 52958 1 765 . 1 . 1 334 334 VAL HG22 H 1 0.729 0.000 . . . . . . . 334 VAL HG2 . 52958 1 766 . 1 . 1 334 334 VAL HG23 H 1 0.729 0.000 . . . . . . . 334 VAL HG2 . 52958 1 767 . 1 . 1 334 334 VAL CG1 C 13 23.111 0.000 . . . . . . . 334 VAL CG1 . 52958 1 768 . 1 . 1 334 334 VAL CG2 C 13 23.355 0.000 . . . . . . . 334 VAL CG2 . 52958 1 769 . 1 . 1 337 337 ALA HB1 H 1 1.283 0.000 . . . . . . . 337 ALA HB . 52958 1 770 . 1 . 1 337 337 ALA HB2 H 1 1.283 0.000 . . . . . . . 337 ALA HB . 52958 1 771 . 1 . 1 337 337 ALA HB3 H 1 1.283 0.000 . . . . . . . 337 ALA HB . 52958 1 772 . 1 . 1 337 337 ALA CB C 13 18.289 0.000 . . . . . . . 337 ALA CB . 52958 1 773 . 1 . 1 340 340 VAL HG11 H 1 1.244 0.000 . . . . . . . 340 VAL HG1 . 52958 1 774 . 1 . 1 340 340 VAL HG12 H 1 1.244 0.000 . . . . . . . 340 VAL HG1 . 52958 1 775 . 1 . 1 340 340 VAL HG13 H 1 1.244 0.000 . . . . . . . 340 VAL HG1 . 52958 1 776 . 1 . 1 340 340 VAL HG21 H 1 1.346 0.000 . . . . . . . 340 VAL HG2 . 52958 1 777 . 1 . 1 340 340 VAL HG22 H 1 1.346 0.000 . . . . . . . 340 VAL HG2 . 52958 1 778 . 1 . 1 340 340 VAL HG23 H 1 1.346 0.000 . . . . . . . 340 VAL HG2 . 52958 1 779 . 1 . 1 340 340 VAL CG1 C 13 20.869 0.000 . . . . . . . 340 VAL CG1 . 52958 1 780 . 1 . 1 340 340 VAL CG2 C 13 22.959 0.000 . . . . . . . 340 VAL CG2 . 52958 1 781 . 1 . 1 342 342 ALA HB1 H 1 1.317 0.000 . . . . . . . 342 ALA HB . 52958 1 782 . 1 . 1 342 342 ALA HB2 H 1 1.317 0.000 . . . . . . . 342 ALA HB . 52958 1 783 . 1 . 1 342 342 ALA HB3 H 1 1.317 0.000 . . . . . . . 342 ALA HB . 52958 1 784 . 1 . 1 342 342 ALA CB C 13 18.711 0.000 . . . . . . . 342 ALA CB . 52958 1 785 . 1 . 1 343 343 VAL HG11 H 1 0.831 0.000 . . . . . . . 343 VAL HG1 . 52958 1 786 . 1 . 1 343 343 VAL HG12 H 1 0.831 0.000 . . . . . . . 343 VAL HG1 . 52958 1 787 . 1 . 1 343 343 VAL HG13 H 1 0.831 0.000 . . . . . . . 343 VAL HG1 . 52958 1 788 . 1 . 1 343 343 VAL HG21 H 1 0.753 0.000 . . . . . . . 343 VAL HG2 . 52958 1 789 . 1 . 1 343 343 VAL HG22 H 1 0.753 0.000 . . . . . . . 343 VAL HG2 . 52958 1 790 . 1 . 1 343 343 VAL HG23 H 1 0.753 0.000 . . . . . . . 343 VAL HG2 . 52958 1 791 . 1 . 1 343 343 VAL CG1 C 13 21.711 0.000 . . . . . . . 343 VAL CG1 . 52958 1 792 . 1 . 1 343 343 VAL CG2 C 13 22.595 0.000 . . . . . . . 343 VAL CG2 . 52958 1 793 . 1 . 1 346 346 VAL HG11 H 1 0.897 0.000 . . . . . . . 346 VAL HG1 . 52958 1 794 . 1 . 1 346 346 VAL HG12 H 1 0.897 0.000 . . . . . . . 346 VAL HG1 . 52958 1 795 . 1 . 1 346 346 VAL HG13 H 1 0.897 0.000 . . . . . . . 346 VAL HG1 . 52958 1 796 . 1 . 1 346 346 VAL HG21 H 1 1.105 0.000 . . . . . . . 346 VAL HG2 . 52958 1 797 . 1 . 1 346 346 VAL HG22 H 1 1.105 0.000 . . . . . . . 346 VAL HG2 . 52958 1 798 . 1 . 1 346 346 VAL HG23 H 1 1.105 0.000 . . . . . . . 346 VAL HG2 . 52958 1 799 . 1 . 1 346 346 VAL CG1 C 13 21.258 0.000 . . . . . . . 346 VAL CG1 . 52958 1 800 . 1 . 1 346 346 VAL CG2 C 13 23.477 0.000 . . . . . . . 346 VAL CG2 . 52958 1 801 . 1 . 1 347 347 VAL HG11 H 1 -0.088 0.000 . . . . . . . 347 VAL HG1 . 52958 1 802 . 1 . 1 347 347 VAL HG12 H 1 -0.088 0.000 . . . . . . . 347 VAL HG1 . 52958 1 803 . 1 . 1 347 347 VAL HG13 H 1 -0.088 0.000 . . . . . . . 347 VAL HG1 . 52958 1 804 . 1 . 1 347 347 VAL HG21 H 1 0.562 0.000 . . . . . . . 347 VAL HG2 . 52958 1 805 . 1 . 1 347 347 VAL HG22 H 1 0.562 0.000 . . . . . . . 347 VAL HG2 . 52958 1 806 . 1 . 1 347 347 VAL HG23 H 1 0.562 0.000 . . . . . . . 347 VAL HG2 . 52958 1 807 . 1 . 1 347 347 VAL CG1 C 13 21.089 0.000 . . . . . . . 347 VAL CG1 . 52958 1 808 . 1 . 1 347 347 VAL CG2 C 13 22.074 0.000 . . . . . . . 347 VAL CG2 . 52958 1 809 . 1 . 1 350 350 LEU HD11 H 1 0.885 0.000 . . . . . . . 350 LEU HD1 . 52958 1 810 . 1 . 1 350 350 LEU HD12 H 1 0.885 0.000 . . . . . . . 350 LEU HD1 . 52958 1 811 . 1 . 1 350 350 LEU HD13 H 1 0.885 0.000 . . . . . . . 350 LEU HD1 . 52958 1 812 . 1 . 1 350 350 LEU HD21 H 1 0.847 0.000 . . . . . . . 350 LEU HD2 . 52958 1 813 . 1 . 1 350 350 LEU HD22 H 1 0.847 0.000 . . . . . . . 350 LEU HD2 . 52958 1 814 . 1 . 1 350 350 LEU HD23 H 1 0.847 0.000 . . . . . . . 350 LEU HD2 . 52958 1 815 . 1 . 1 350 350 LEU CD1 C 13 22.860 0.000 . . . . . . . 350 LEU CD1 . 52958 1 816 . 1 . 1 350 350 LEU CD2 C 13 26.068 0.000 . . . . . . . 350 LEU CD2 . 52958 1 817 . 1 . 1 351 351 LEU HD11 H 1 0.835 0.000 . . . . . . . 351 LEU HD1 . 52958 1 818 . 1 . 1 351 351 LEU HD12 H 1 0.835 0.000 . . . . . . . 351 LEU HD1 . 52958 1 819 . 1 . 1 351 351 LEU HD13 H 1 0.835 0.000 . . . . . . . 351 LEU HD1 . 52958 1 820 . 1 . 1 351 351 LEU HD21 H 1 0.937 0.000 . . . . . . . 351 LEU HD2 . 52958 1 821 . 1 . 1 351 351 LEU HD22 H 1 0.937 0.000 . . . . . . . 351 LEU HD2 . 52958 1 822 . 1 . 1 351 351 LEU HD23 H 1 0.937 0.000 . . . . . . . 351 LEU HD2 . 52958 1 823 . 1 . 1 351 351 LEU CD1 C 13 23.446 0.000 . . . . . . . 351 LEU CD1 . 52958 1 824 . 1 . 1 351 351 LEU CD2 C 13 26.030 0.000 . . . . . . . 351 LEU CD2 . 52958 1 825 . 1 . 1 359 359 VAL HG11 H 1 0.255 0.000 . . . . . . . 359 VAL HG1 . 52958 1 826 . 1 . 1 359 359 VAL HG12 H 1 0.255 0.000 . . . . . . . 359 VAL HG1 . 52958 1 827 . 1 . 1 359 359 VAL HG13 H 1 0.255 0.000 . . . . . . . 359 VAL HG1 . 52958 1 828 . 1 . 1 359 359 VAL HG21 H 1 0.733 0.000 . . . . . . . 359 VAL HG2 . 52958 1 829 . 1 . 1 359 359 VAL HG22 H 1 0.733 0.000 . . . . . . . 359 VAL HG2 . 52958 1 830 . 1 . 1 359 359 VAL HG23 H 1 0.733 0.000 . . . . . . . 359 VAL HG2 . 52958 1 831 . 1 . 1 359 359 VAL CG1 C 13 20.146 0.000 . . . . . . . 359 VAL CG1 . 52958 1 832 . 1 . 1 359 359 VAL CG2 C 13 22.687 0.000 . . . . . . . 359 VAL CG2 . 52958 1 833 . 1 . 1 364 364 VAL HG11 H 1 1.102 0.000 . . . . . . . 364 VAL HG1 . 52958 1 834 . 1 . 1 364 364 VAL HG12 H 1 1.102 0.000 . . . . . . . 364 VAL HG1 . 52958 1 835 . 1 . 1 364 364 VAL HG13 H 1 1.102 0.000 . . . . . . . 364 VAL HG1 . 52958 1 836 . 1 . 1 364 364 VAL HG21 H 1 1.057 0.000 . . . . . . . 364 VAL HG2 . 52958 1 837 . 1 . 1 364 364 VAL HG22 H 1 1.057 0.000 . . . . . . . 364 VAL HG2 . 52958 1 838 . 1 . 1 364 364 VAL HG23 H 1 1.057 0.000 . . . . . . . 364 VAL HG2 . 52958 1 839 . 1 . 1 364 364 VAL CG1 C 13 21.878 0.000 . . . . . . . 364 VAL CG1 . 52958 1 840 . 1 . 1 364 364 VAL CG2 C 13 22.924 0.000 . . . . . . . 364 VAL CG2 . 52958 1 841 . 1 . 1 365 365 VAL HG11 H 1 0.948 0.000 . . . . . . . 365 VAL HG1 . 52958 1 842 . 1 . 1 365 365 VAL HG12 H 1 0.948 0.000 . . . . . . . 365 VAL HG1 . 52958 1 843 . 1 . 1 365 365 VAL HG13 H 1 0.948 0.000 . . . . . . . 365 VAL HG1 . 52958 1 844 . 1 . 1 365 365 VAL HG21 H 1 0.818 0.000 . . . . . . . 365 VAL HG2 . 52958 1 845 . 1 . 1 365 365 VAL HG22 H 1 0.818 0.000 . . . . . . . 365 VAL HG2 . 52958 1 846 . 1 . 1 365 365 VAL HG23 H 1 0.818 0.000 . . . . . . . 365 VAL HG2 . 52958 1 847 . 1 . 1 365 365 VAL CG1 C 13 23.674 0.000 . . . . . . . 365 VAL CG1 . 52958 1 848 . 1 . 1 365 365 VAL CG2 C 13 24.867 0.000 . . . . . . . 365 VAL CG2 . 52958 1 849 . 1 . 1 366 366 ALA HB1 H 1 1.237 0.000 . . . . . . . 366 ALA HB . 52958 1 850 . 1 . 1 366 366 ALA HB2 H 1 1.237 0.000 . . . . . . . 366 ALA HB . 52958 1 851 . 1 . 1 366 366 ALA HB3 H 1 1.237 0.000 . . . . . . . 366 ALA HB . 52958 1 852 . 1 . 1 366 366 ALA CB C 13 17.959 0.000 . . . . . . . 366 ALA CB . 52958 1 853 . 1 . 1 367 367 MET HE1 H 1 2.083 0.000 . . . . . . . 367 MET HE . 52958 1 854 . 1 . 1 367 367 MET HE2 H 1 2.083 0.000 . . . . . . . 367 MET HE . 52958 1 855 . 1 . 1 367 367 MET HE3 H 1 2.083 0.000 . . . . . . . 367 MET HE . 52958 1 856 . 1 . 1 367 367 MET CE C 13 17.250 0.000 . . . . . . . 367 MET CE . 52958 1 857 . 1 . 1 369 369 ALA HB1 H 1 1.224 0.000 . . . . . . . 369 ALA HB . 52958 1 858 . 1 . 1 369 369 ALA HB2 H 1 1.224 0.000 . . . . . . . 369 ALA HB . 52958 1 859 . 1 . 1 369 369 ALA HB3 H 1 1.224 0.000 . . . . . . . 369 ALA HB . 52958 1 860 . 1 . 1 369 369 ALA CB C 13 17.610 0.000 . . . . . . . 369 ALA CB . 52958 1 861 . 1 . 1 370 370 ALA HB1 H 1 1.263 0.000 . . . . . . . 370 ALA HB . 52958 1 862 . 1 . 1 370 370 ALA HB2 H 1 1.263 0.000 . . . . . . . 370 ALA HB . 52958 1 863 . 1 . 1 370 370 ALA HB3 H 1 1.263 0.000 . . . . . . . 370 ALA HB . 52958 1 864 . 1 . 1 370 370 ALA CB C 13 17.091 0.000 . . . . . . . 370 ALA CB . 52958 1 865 . 1 . 1 371 371 ILE HD11 H 1 0.733 0.000 . . . . . . . 371 ILE HD1 . 52958 1 866 . 1 . 1 371 371 ILE HD12 H 1 0.733 0.000 . . . . . . . 371 ILE HD1 . 52958 1 867 . 1 . 1 371 371 ILE HD13 H 1 0.733 0.000 . . . . . . . 371 ILE HD1 . 52958 1 868 . 1 . 1 371 371 ILE CD1 C 13 14.254 0.000 . . . . . . . 371 ILE CD1 . 52958 1 869 . 1 . 1 373 373 ALA HB1 H 1 1.270 0.000 . . . . . . . 373 ALA HB . 52958 1 870 . 1 . 1 373 373 ALA HB2 H 1 1.270 0.000 . . . . . . . 373 ALA HB . 52958 1 871 . 1 . 1 373 373 ALA HB3 H 1 1.270 0.000 . . . . . . . 373 ALA HB . 52958 1 872 . 1 . 1 373 373 ALA CB C 13 17.845 0.000 . . . . . . . 373 ALA CB . 52958 1 873 . 1 . 1 375 375 VAL HG11 H 1 0.911 0.000 . . . . . . . 375 VAL HG1 . 52958 1 874 . 1 . 1 375 375 VAL HG12 H 1 0.911 0.000 . . . . . . . 375 VAL HG1 . 52958 1 875 . 1 . 1 375 375 VAL HG13 H 1 0.911 0.000 . . . . . . . 375 VAL HG1 . 52958 1 876 . 1 . 1 375 375 VAL HG21 H 1 1.001 0.000 . . . . . . . 375 VAL HG2 . 52958 1 877 . 1 . 1 375 375 VAL HG22 H 1 1.001 0.000 . . . . . . . 375 VAL HG2 . 52958 1 878 . 1 . 1 375 375 VAL HG23 H 1 1.001 0.000 . . . . . . . 375 VAL HG2 . 52958 1 879 . 1 . 1 375 375 VAL CG1 C 13 20.702 0.000 . . . . . . . 375 VAL CG1 . 52958 1 880 . 1 . 1 375 375 VAL CG2 C 13 21.857 0.000 . . . . . . . 375 VAL CG2 . 52958 1 881 . 1 . 1 376 376 LEU HD11 H 1 0.817 0.000 . . . . . . . 376 LEU HD1 . 52958 1 882 . 1 . 1 376 376 LEU HD12 H 1 0.817 0.000 . . . . . . . 376 LEU HD1 . 52958 1 883 . 1 . 1 376 376 LEU HD13 H 1 0.817 0.000 . . . . . . . 376 LEU HD1 . 52958 1 884 . 1 . 1 376 376 LEU HD21 H 1 0.699 0.000 . . . . . . . 376 LEU HD2 . 52958 1 885 . 1 . 1 376 376 LEU HD22 H 1 0.699 0.000 . . . . . . . 376 LEU HD2 . 52958 1 886 . 1 . 1 376 376 LEU HD23 H 1 0.699 0.000 . . . . . . . 376 LEU HD2 . 52958 1 887 . 1 . 1 376 376 LEU CD1 C 13 21.654 0.000 . . . . . . . 376 LEU CD1 . 52958 1 888 . 1 . 1 376 376 LEU CD2 C 13 26.634 0.000 . . . . . . . 376 LEU CD2 . 52958 1 889 . 1 . 1 377 377 MET HE1 H 1 1.982 0.000 . . . . . . . 377 MET HE . 52958 1 890 . 1 . 1 377 377 MET HE2 H 1 1.982 0.000 . . . . . . . 377 MET HE . 52958 1 891 . 1 . 1 377 377 MET HE3 H 1 1.982 0.000 . . . . . . . 377 MET HE . 52958 1 892 . 1 . 1 377 377 MET CE C 13 16.897 0.000 . . . . . . . 377 MET CE . 52958 1 893 . 1 . 1 380 380 VAL HG11 H 1 0.898 0.000 . . . . . . . 380 VAL HG1 . 52958 1 894 . 1 . 1 380 380 VAL HG12 H 1 0.898 0.000 . . . . . . . 380 VAL HG1 . 52958 1 895 . 1 . 1 380 380 VAL HG13 H 1 0.898 0.000 . . . . . . . 380 VAL HG1 . 52958 1 896 . 1 . 1 380 380 VAL HG21 H 1 0.890 0.000 . . . . . . . 380 VAL HG2 . 52958 1 897 . 1 . 1 380 380 VAL HG22 H 1 0.890 0.000 . . . . . . . 380 VAL HG2 . 52958 1 898 . 1 . 1 380 380 VAL HG23 H 1 0.890 0.000 . . . . . . . 380 VAL HG2 . 52958 1 899 . 1 . 1 380 380 VAL CG1 C 13 20.588 0.000 . . . . . . . 380 VAL CG1 . 52958 1 900 . 1 . 1 380 380 VAL CG2 C 13 21.180 0.000 . . . . . . . 380 VAL CG2 . 52958 1 901 . 1 . 1 383 383 VAL HG11 H 1 0.901 0.000 . . . . . . . 383 VAL HG1 . 52958 1 902 . 1 . 1 383 383 VAL HG12 H 1 0.901 0.000 . . . . . . . 383 VAL HG1 . 52958 1 903 . 1 . 1 383 383 VAL HG13 H 1 0.901 0.000 . . . . . . . 383 VAL HG1 . 52958 1 904 . 1 . 1 383 383 VAL HG21 H 1 0.903 0.000 . . . . . . . 383 VAL HG2 . 52958 1 905 . 1 . 1 383 383 VAL HG22 H 1 0.903 0.000 . . . . . . . 383 VAL HG2 . 52958 1 906 . 1 . 1 383 383 VAL HG23 H 1 0.903 0.000 . . . . . . . 383 VAL HG2 . 52958 1 907 . 1 . 1 383 383 VAL CG1 C 13 20.523 0.000 . . . . . . . 383 VAL CG1 . 52958 1 908 . 1 . 1 383 383 VAL CG2 C 13 21.139 0.000 . . . . . . . 383 VAL CG2 . 52958 1 909 . 1 . 1 384 384 VAL HG21 H 1 0.891 0.000 . . . . . . . 384 VAL HG2 . 52958 1 910 . 1 . 1 384 384 VAL HG22 H 1 0.891 0.000 . . . . . . . 384 VAL HG2 . 52958 1 911 . 1 . 1 384 384 VAL HG23 H 1 0.891 0.000 . . . . . . . 384 VAL HG2 . 52958 1 912 . 1 . 1 384 384 VAL CG2 C 13 21.060 0.000 . . . . . . . 384 VAL CG2 . 52958 1 913 . 1 . 1 385 385 LEU HD11 H 1 0.897 0.000 . . . . . . . 385 LEU HD1 . 52958 1 914 . 1 . 1 385 385 LEU HD12 H 1 0.897 0.000 . . . . . . . 385 LEU HD1 . 52958 1 915 . 1 . 1 385 385 LEU HD13 H 1 0.897 0.000 . . . . . . . 385 LEU HD1 . 52958 1 916 . 1 . 1 385 385 LEU HD21 H 1 0.808 0.000 . . . . . . . 385 LEU HD2 . 52958 1 917 . 1 . 1 385 385 LEU HD22 H 1 0.808 0.000 . . . . . . . 385 LEU HD2 . 52958 1 918 . 1 . 1 385 385 LEU HD23 H 1 0.808 0.000 . . . . . . . 385 LEU HD2 . 52958 1 919 . 1 . 1 385 385 LEU CD1 C 13 24.851 0.000 . . . . . . . 385 LEU CD1 . 52958 1 920 . 1 . 1 385 385 LEU CD2 C 13 23.531 0.000 . . . . . . . 385 LEU CD2 . 52958 1 921 . 1 . 1 386 386 LEU HD11 H 1 0.910 0.000 . . . . . . . 386 LEU HD1 . 52958 1 922 . 1 . 1 386 386 LEU HD12 H 1 0.910 0.000 . . . . . . . 386 LEU HD1 . 52958 1 923 . 1 . 1 386 386 LEU HD13 H 1 0.910 0.000 . . . . . . . 386 LEU HD1 . 52958 1 924 . 1 . 1 386 386 LEU HD21 H 1 0.867 0.000 . . . . . . . 386 LEU HD2 . 52958 1 925 . 1 . 1 386 386 LEU HD22 H 1 0.867 0.000 . . . . . . . 386 LEU HD2 . 52958 1 926 . 1 . 1 386 386 LEU HD23 H 1 0.867 0.000 . . . . . . . 386 LEU HD2 . 52958 1 927 . 1 . 1 386 386 LEU CD1 C 13 24.972 0.000 . . . . . . . 386 LEU CD1 . 52958 1 928 . 1 . 1 386 386 LEU CD2 C 13 23.268 0.000 . . . . . . . 386 LEU CD2 . 52958 1 929 . 1 . 1 388 388 VAL HG11 H 1 0.691 0.000 . . . . . . . 388 VAL HG1 . 52958 1 930 . 1 . 1 388 388 VAL HG12 H 1 0.691 0.000 . . . . . . . 388 VAL HG1 . 52958 1 931 . 1 . 1 388 388 VAL HG13 H 1 0.691 0.000 . . . . . . . 388 VAL HG1 . 52958 1 932 . 1 . 1 388 388 VAL HG21 H 1 0.690 0.000 . . . . . . . 388 VAL HG2 . 52958 1 933 . 1 . 1 388 388 VAL HG22 H 1 0.690 0.000 . . . . . . . 388 VAL HG2 . 52958 1 934 . 1 . 1 388 388 VAL HG23 H 1 0.690 0.000 . . . . . . . 388 VAL HG2 . 52958 1 935 . 1 . 1 388 388 VAL CG1 C 13 21.395 0.000 . . . . . . . 388 VAL CG1 . 52958 1 936 . 1 . 1 388 388 VAL CG2 C 13 17.932 0.000 . . . . . . . 388 VAL CG2 . 52958 1 937 . 1 . 1 389 389 THR HG21 H 1 1.282 0.000 . . . . . . . 389 THR HG2 . 52958 1 938 . 1 . 1 389 389 THR HG22 H 1 1.282 0.000 . . . . . . . 389 THR HG2 . 52958 1 939 . 1 . 1 389 389 THR HG23 H 1 1.282 0.000 . . . . . . . 389 THR HG2 . 52958 1 940 . 1 . 1 389 389 THR CG2 C 13 22.407 0.000 . . . . . . . 389 THR CG2 . 52958 1 941 . 1 . 1 391 391 LEU HD11 H 1 1.154 0.000 . . . . . . . 391 LEU HD1 . 52958 1 942 . 1 . 1 391 391 LEU HD12 H 1 1.154 0.000 . . . . . . . 391 LEU HD1 . 52958 1 943 . 1 . 1 391 391 LEU HD13 H 1 1.154 0.000 . . . . . . . 391 LEU HD1 . 52958 1 944 . 1 . 1 391 391 LEU HD21 H 1 0.821 0.000 . . . . . . . 391 LEU HD2 . 52958 1 945 . 1 . 1 391 391 LEU HD22 H 1 0.821 0.000 . . . . . . . 391 LEU HD2 . 52958 1 946 . 1 . 1 391 391 LEU HD23 H 1 0.821 0.000 . . . . . . . 391 LEU HD2 . 52958 1 947 . 1 . 1 391 391 LEU CD1 C 13 23.754 0.000 . . . . . . . 391 LEU CD1 . 52958 1 948 . 1 . 1 391 391 LEU CD2 C 13 27.633 0.000 . . . . . . . 391 LEU CD2 . 52958 1 949 . 1 . 1 393 393 LEU HD11 H 1 1.006 0.000 . . . . . . . 393 LEU HD1 . 52958 1 950 . 1 . 1 393 393 LEU HD12 H 1 1.006 0.000 . . . . . . . 393 LEU HD1 . 52958 1 951 . 1 . 1 393 393 LEU HD13 H 1 1.006 0.000 . . . . . . . 393 LEU HD1 . 52958 1 952 . 1 . 1 393 393 LEU HD21 H 1 0.918 0.000 . . . . . . . 393 LEU HD2 . 52958 1 953 . 1 . 1 393 393 LEU HD22 H 1 0.918 0.000 . . . . . . . 393 LEU HD2 . 52958 1 954 . 1 . 1 393 393 LEU HD23 H 1 0.918 0.000 . . . . . . . 393 LEU HD2 . 52958 1 955 . 1 . 1 393 393 LEU CD1 C 13 26.791 0.000 . . . . . . . 393 LEU CD1 . 52958 1 956 . 1 . 1 393 393 LEU CD2 C 13 24.072 0.000 . . . . . . . 393 LEU CD2 . 52958 1 957 . 1 . 1 395 395 VAL HG11 H 1 0.779 0.000 . . . . . . . 395 VAL HG1 . 52958 1 958 . 1 . 1 395 395 VAL HG12 H 1 0.779 0.000 . . . . . . . 395 VAL HG1 . 52958 1 959 . 1 . 1 395 395 VAL HG13 H 1 0.779 0.000 . . . . . . . 395 VAL HG1 . 52958 1 960 . 1 . 1 395 395 VAL CG1 C 13 22.540 0.000 . . . . . . . 395 VAL CG1 . 52958 1 961 . 1 . 1 397 397 THR HG21 H 1 0.812 0.000 . . . . . . . 397 THR HG2 . 52958 1 962 . 1 . 1 397 397 THR HG22 H 1 0.812 0.000 . . . . . . . 397 THR HG2 . 52958 1 963 . 1 . 1 397 397 THR HG23 H 1 0.812 0.000 . . . . . . . 397 THR HG2 . 52958 1 964 . 1 . 1 397 397 THR CG2 C 13 22.126 0.000 . . . . . . . 397 THR CG2 . 52958 1 965 . 1 . 1 402 402 MET HE1 H 1 1.574 0.000 . . . . . . . 402 MET HE . 52958 1 966 . 1 . 1 402 402 MET HE2 H 1 1.574 0.000 . . . . . . . 402 MET HE . 52958 1 967 . 1 . 1 402 402 MET HE3 H 1 1.574 0.000 . . . . . . . 402 MET HE . 52958 1 968 . 1 . 1 402 402 MET CE C 13 18.864 0.000 . . . . . . . 402 MET CE . 52958 1 969 . 1 . 1 403 403 THR HG21 H 1 1.194 0.000 . . . . . . . 403 THR HG2 . 52958 1 970 . 1 . 1 403 403 THR HG22 H 1 1.194 0.000 . . . . . . . 403 THR HG2 . 52958 1 971 . 1 . 1 403 403 THR HG23 H 1 1.194 0.000 . . . . . . . 403 THR HG2 . 52958 1 972 . 1 . 1 403 403 THR CG2 C 13 21.470 0.000 . . . . . . . 403 THR CG2 . 52958 1 973 . 1 . 1 404 404 VAL HG21 H 1 0.902 0.000 . . . . . . . 404 VAL HG2 . 52958 1 974 . 1 . 1 404 404 VAL HG22 H 1 0.902 0.000 . . . . . . . 404 VAL HG2 . 52958 1 975 . 1 . 1 404 404 VAL HG23 H 1 0.902 0.000 . . . . . . . 404 VAL HG2 . 52958 1 976 . 1 . 1 404 404 VAL CG2 C 13 23.152 0.000 . . . . . . . 404 VAL CG2 . 52958 1 977 . 1 . 1 405 405 LEU HD11 H 1 0.544 0.000 . . . . . . . 405 LEU HD1 . 52958 1 978 . 1 . 1 405 405 LEU HD12 H 1 0.544 0.000 . . . . . . . 405 LEU HD1 . 52958 1 979 . 1 . 1 405 405 LEU HD13 H 1 0.544 0.000 . . . . . . . 405 LEU HD1 . 52958 1 980 . 1 . 1 405 405 LEU HD21 H 1 0.564 0.000 . . . . . . . 405 LEU HD2 . 52958 1 981 . 1 . 1 405 405 LEU HD22 H 1 0.564 0.000 . . . . . . . 405 LEU HD2 . 52958 1 982 . 1 . 1 405 405 LEU HD23 H 1 0.564 0.000 . . . . . . . 405 LEU HD2 . 52958 1 983 . 1 . 1 405 405 LEU CD1 C 13 24.574 0.000 . . . . . . . 405 LEU CD1 . 52958 1 984 . 1 . 1 405 405 LEU CD2 C 13 24.469 0.000 . . . . . . . 405 LEU CD2 . 52958 1 985 . 1 . 1 406 406 ILE HD11 H 1 0.925 0.000 . . . . . . . 406 ILE HD1 . 52958 1 986 . 1 . 1 406 406 ILE HD12 H 1 0.925 0.000 . . . . . . . 406 ILE HD1 . 52958 1 987 . 1 . 1 406 406 ILE HD13 H 1 0.925 0.000 . . . . . . . 406 ILE HD1 . 52958 1 988 . 1 . 1 406 406 ILE CD1 C 13 13.869 0.000 . . . . . . . 406 ILE CD1 . 52958 1 989 . 1 . 1 410 410 THR HG21 H 1 1.376 0.000 . . . . . . . 410 THR HG2 . 52958 1 990 . 1 . 1 410 410 THR HG22 H 1 1.376 0.000 . . . . . . . 410 THR HG2 . 52958 1 991 . 1 . 1 410 410 THR HG23 H 1 1.376 0.000 . . . . . . . 410 THR HG2 . 52958 1 992 . 1 . 1 410 410 THR CG2 C 13 21.879 0.000 . . . . . . . 410 THR CG2 . 52958 1 993 . 1 . 1 411 411 THR HG21 H 1 1.207 0.000 . . . . . . . 411 THR HG2 . 52958 1 994 . 1 . 1 411 411 THR HG22 H 1 1.207 0.000 . . . . . . . 411 THR HG2 . 52958 1 995 . 1 . 1 411 411 THR HG23 H 1 1.207 0.000 . . . . . . . 411 THR HG2 . 52958 1 996 . 1 . 1 411 411 THR CG2 C 13 23.839 0.000 . . . . . . . 411 THR CG2 . 52958 1 997 . 1 . 1 412 412 ILE HD11 H 1 0.684 0.000 . . . . . . . 412 ILE HD1 . 52958 1 998 . 1 . 1 412 412 ILE HD12 H 1 0.684 0.000 . . . . . . . 412 ILE HD1 . 52958 1 999 . 1 . 1 412 412 ILE HD13 H 1 0.684 0.000 . . . . . . . 412 ILE HD1 . 52958 1 1000 . 1 . 1 412 412 ILE CD1 C 13 13.433 0.000 . . . . . . . 412 ILE CD1 . 52958 1 1001 . 1 . 1 414 414 THR HG21 H 1 0.986 0.000 . . . . . . . 414 THR HG2 . 52958 1 1002 . 1 . 1 414 414 THR HG22 H 1 0.986 0.000 . . . . . . . 414 THR HG2 . 52958 1 1003 . 1 . 1 414 414 THR HG23 H 1 0.986 0.000 . . . . . . . 414 THR HG2 . 52958 1 1004 . 1 . 1 414 414 THR CG2 C 13 19.053 0.000 . . . . . . . 414 THR CG2 . 52958 1 1005 . 1 . 1 421 421 THR HG21 H 1 1.138 0.000 . . . . . . . 421 THR HG2 . 52958 1 1006 . 1 . 1 421 421 THR HG22 H 1 1.138 0.000 . . . . . . . 421 THR HG2 . 52958 1 1007 . 1 . 1 421 421 THR HG23 H 1 1.138 0.000 . . . . . . . 421 THR HG2 . 52958 1 1008 . 1 . 1 421 421 THR CG2 C 13 21.961 0.000 . . . . . . . 421 THR CG2 . 52958 1 1009 . 1 . 1 429 429 ALA HB1 H 1 1.287 0.000 . . . . . . . 429 ALA HB . 52958 1 1010 . 1 . 1 429 429 ALA HB2 H 1 1.287 0.000 . . . . . . . 429 ALA HB . 52958 1 1011 . 1 . 1 429 429 ALA HB3 H 1 1.287 0.000 . . . . . . . 429 ALA HB . 52958 1 1012 . 1 . 1 429 429 ALA CB C 13 18.321 0.000 . . . . . . . 429 ALA CB . 52958 1 1013 . 1 . 1 430 430 VAL HG21 H 1 0.815 0.000 . . . . . . . 430 VAL HG2 . 52958 1 1014 . 1 . 1 430 430 VAL HG22 H 1 0.815 0.000 . . . . . . . 430 VAL HG2 . 52958 1 1015 . 1 . 1 430 430 VAL HG23 H 1 0.815 0.000 . . . . . . . 430 VAL HG2 . 52958 1 1016 . 1 . 1 430 430 VAL CG2 C 13 20.878 0.000 . . . . . . . 430 VAL CG2 . 52958 1 1017 . 1 . 1 435 435 LEU HD11 H 1 0.438 0.000 . . . . . . . 435 LEU HD1 . 52958 1 1018 . 1 . 1 435 435 LEU HD12 H 1 0.438 0.000 . . . . . . . 435 LEU HD1 . 52958 1 1019 . 1 . 1 435 435 LEU HD13 H 1 0.438 0.000 . . . . . . . 435 LEU HD1 . 52958 1 1020 . 1 . 1 435 435 LEU HD21 H 1 0.256 0.000 . . . . . . . 435 LEU HD2 . 52958 1 1021 . 1 . 1 435 435 LEU HD22 H 1 0.256 0.000 . . . . . . . 435 LEU HD2 . 52958 1 1022 . 1 . 1 435 435 LEU HD23 H 1 0.256 0.000 . . . . . . . 435 LEU HD2 . 52958 1 1023 . 1 . 1 435 435 LEU CD1 C 13 26.493 0.000 . . . . . . . 435 LEU CD1 . 52958 1 1024 . 1 . 1 435 435 LEU CD2 C 13 23.862 0.000 . . . . . . . 435 LEU CD2 . 52958 1 1025 . 1 . 1 441 441 MET HE1 H 1 1.994 0.000 . . . . . . . 441 MET HE . 52958 1 1026 . 1 . 1 441 441 MET HE2 H 1 1.994 0.000 . . . . . . . 441 MET HE . 52958 1 1027 . 1 . 1 441 441 MET HE3 H 1 1.994 0.000 . . . . . . . 441 MET HE . 52958 1 1028 . 1 . 1 441 441 MET CE C 13 15.754 0.000 . . . . . . . 441 MET CE . 52958 1 1029 . 1 . 1 442 442 ALA HB1 H 1 1.071 0.000 . . . . . . . 442 ALA HB . 52958 1 1030 . 1 . 1 442 442 ALA HB2 H 1 1.071 0.000 . . . . . . . 442 ALA HB . 52958 1 1031 . 1 . 1 442 442 ALA HB3 H 1 1.071 0.000 . . . . . . . 442 ALA HB . 52958 1 1032 . 1 . 1 442 442 ALA CB C 13 18.712 0.000 . . . . . . . 442 ALA CB . 52958 1 1033 . 1 . 1 448 448 LEU HD11 H 1 0.725 0.000 . . . . . . . 448 LEU HD1 . 52958 1 1034 . 1 . 1 448 448 LEU HD12 H 1 0.725 0.000 . . . . . . . 448 LEU HD1 . 52958 1 1035 . 1 . 1 448 448 LEU HD13 H 1 0.725 0.000 . . . . . . . 448 LEU HD1 . 52958 1 1036 . 1 . 1 448 448 LEU HD21 H 1 0.664 0.000 . . . . . . . 448 LEU HD2 . 52958 1 1037 . 1 . 1 448 448 LEU HD22 H 1 0.664 0.000 . . . . . . . 448 LEU HD2 . 52958 1 1038 . 1 . 1 448 448 LEU HD23 H 1 0.664 0.000 . . . . . . . 448 LEU HD2 . 52958 1 1039 . 1 . 1 448 448 LEU CD1 C 13 21.636 0.000 . . . . . . . 448 LEU CD1 . 52958 1 1040 . 1 . 1 448 448 LEU CD2 C 13 26.181 0.000 . . . . . . . 448 LEU CD2 . 52958 1 1041 . 1 . 1 456 456 ILE HD11 H 1 0.534 0.000 . . . . . . . 456 ILE HD1 . 52958 1 1042 . 1 . 1 456 456 ILE HD12 H 1 0.534 0.000 . . . . . . . 456 ILE HD1 . 52958 1 1043 . 1 . 1 456 456 ILE HD13 H 1 0.534 0.000 . . . . . . . 456 ILE HD1 . 52958 1 1044 . 1 . 1 456 456 ILE CD1 C 13 13.498 0.000 . . . . . . . 456 ILE CD1 . 52958 1 1045 . 1 . 1 459 459 MET HE1 H 1 2.091 0.000 . . . . . . . 459 MET HE . 52958 1 1046 . 1 . 1 459 459 MET HE2 H 1 2.091 0.000 . . . . . . . 459 MET HE . 52958 1 1047 . 1 . 1 459 459 MET HE3 H 1 2.091 0.000 . . . . . . . 459 MET HE . 52958 1 1048 . 1 . 1 459 459 MET CE C 13 18.511 0.000 . . . . . . . 459 MET CE . 52958 1 1049 . 1 . 1 461 461 ALA HB1 H 1 1.373 0.000 . . . . . . . 461 ALA HB . 52958 1 1050 . 1 . 1 461 461 ALA HB2 H 1 1.373 0.000 . . . . . . . 461 ALA HB . 52958 1 1051 . 1 . 1 461 461 ALA HB3 H 1 1.373 0.000 . . . . . . . 461 ALA HB . 52958 1 1052 . 1 . 1 461 461 ALA CB C 13 19.243 0.000 . . . . . . . 461 ALA CB . 52958 1 1053 . 1 . 1 463 463 VAL HG21 H 1 0.882 0.000 . . . . . . . 463 VAL HG2 . 52958 1 1054 . 1 . 1 463 463 VAL HG22 H 1 0.882 0.000 . . . . . . . 463 VAL HG2 . 52958 1 1055 . 1 . 1 463 463 VAL HG23 H 1 0.882 0.000 . . . . . . . 463 VAL HG2 . 52958 1 1056 . 1 . 1 463 463 VAL CG2 C 13 20.551 0.000 . . . . . . . 463 VAL CG2 . 52958 1 1057 . 1 . 1 468 468 VAL HG11 H 1 0.995 0.000 . . . . . . . 468 VAL HG1 . 52958 1 1058 . 1 . 1 468 468 VAL HG12 H 1 0.995 0.000 . . . . . . . 468 VAL HG1 . 52958 1 1059 . 1 . 1 468 468 VAL HG13 H 1 0.995 0.000 . . . . . . . 468 VAL HG1 . 52958 1 1060 . 1 . 1 468 468 VAL HG21 H 1 1.008 0.000 . . . . . . . 468 VAL HG2 . 52958 1 1061 . 1 . 1 468 468 VAL HG22 H 1 1.008 0.000 . . . . . . . 468 VAL HG2 . 52958 1 1062 . 1 . 1 468 468 VAL HG23 H 1 1.008 0.000 . . . . . . . 468 VAL HG2 . 52958 1 1063 . 1 . 1 468 468 VAL CG1 C 13 21.487 0.000 . . . . . . . 468 VAL CG1 . 52958 1 1064 . 1 . 1 468 468 VAL CG2 C 13 22.231 0.000 . . . . . . . 468 VAL CG2 . 52958 1 1065 . 1 . 1 472 472 ILE HD11 H 1 0.718 0.000 . . . . . . . 472 ILE HD1 . 52958 1 1066 . 1 . 1 472 472 ILE HD12 H 1 0.718 0.000 . . . . . . . 472 ILE HD1 . 52958 1 1067 . 1 . 1 472 472 ILE HD13 H 1 0.718 0.000 . . . . . . . 472 ILE HD1 . 52958 1 1068 . 1 . 1 472 472 ILE CD1 C 13 14.482 0.000 . . . . . . . 472 ILE CD1 . 52958 1 1069 . 1 . 1 474 474 ALA HB1 H 1 1.386 0.000 . . . . . . . 474 ALA HB . 52958 1 1070 . 1 . 1 474 474 ALA HB2 H 1 1.386 0.000 . . . . . . . 474 ALA HB . 52958 1 1071 . 1 . 1 474 474 ALA HB3 H 1 1.386 0.000 . . . . . . . 474 ALA HB . 52958 1 1072 . 1 . 1 474 474 ALA CB C 13 18.573 0.000 . . . . . . . 474 ALA CB . 52958 1 1073 . 1 . 1 477 477 ILE HD11 H 1 0.849 0.000 . . . . . . . 477 ILE HD1 . 52958 1 1074 . 1 . 1 477 477 ILE HD12 H 1 0.849 0.000 . . . . . . . 477 ILE HD1 . 52958 1 1075 . 1 . 1 477 477 ILE HD13 H 1 0.849 0.000 . . . . . . . 477 ILE HD1 . 52958 1 1076 . 1 . 1 477 477 ILE CD1 C 13 11.929 0.000 . . . . . . . 477 ILE CD1 . 52958 1 1077 . 1 . 1 478 478 LEU HD11 H 1 0.473 0.000 . . . . . . . 478 LEU HD1 . 52958 1 1078 . 1 . 1 478 478 LEU HD12 H 1 0.473 0.000 . . . . . . . 478 LEU HD1 . 52958 1 1079 . 1 . 1 478 478 LEU HD13 H 1 0.473 0.000 . . . . . . . 478 LEU HD1 . 52958 1 1080 . 1 . 1 478 478 LEU HD21 H 1 0.554 0.000 . . . . . . . 478 LEU HD2 . 52958 1 1081 . 1 . 1 478 478 LEU HD22 H 1 0.554 0.000 . . . . . . . 478 LEU HD2 . 52958 1 1082 . 1 . 1 478 478 LEU HD23 H 1 0.554 0.000 . . . . . . . 478 LEU HD2 . 52958 1 1083 . 1 . 1 478 478 LEU CD1 C 13 26.400 0.000 . . . . . . . 478 LEU CD1 . 52958 1 1084 . 1 . 1 478 478 LEU CD2 C 13 23.093 0.000 . . . . . . . 478 LEU CD2 . 52958 1 1085 . 1 . 1 480 480 VAL HG11 H 1 0.163 0.000 . . . . . . . 480 VAL HG1 . 52958 1 1086 . 1 . 1 480 480 VAL HG12 H 1 0.163 0.000 . . . . . . . 480 VAL HG1 . 52958 1 1087 . 1 . 1 480 480 VAL HG13 H 1 0.163 0.000 . . . . . . . 480 VAL HG1 . 52958 1 1088 . 1 . 1 480 480 VAL HG21 H 1 0.989 0.000 . . . . . . . 480 VAL HG2 . 52958 1 1089 . 1 . 1 480 480 VAL HG22 H 1 0.989 0.000 . . . . . . . 480 VAL HG2 . 52958 1 1090 . 1 . 1 480 480 VAL HG23 H 1 0.989 0.000 . . . . . . . 480 VAL HG2 . 52958 1 1091 . 1 . 1 480 480 VAL CG1 C 13 19.395 0.000 . . . . . . . 480 VAL CG1 . 52958 1 1092 . 1 . 1 480 480 VAL CG2 C 13 21.313 0.000 . . . . . . . 480 VAL CG2 . 52958 1 1093 . 1 . 1 482 482 ALA HB1 H 1 1.261 0.000 . . . . . . . 482 ALA HB . 52958 1 1094 . 1 . 1 482 482 ALA HB2 H 1 1.261 0.000 . . . . . . . 482 ALA HB . 52958 1 1095 . 1 . 1 482 482 ALA HB3 H 1 1.261 0.000 . . . . . . . 482 ALA HB . 52958 1 1096 . 1 . 1 482 482 ALA CB C 13 22.186 0.000 . . . . . . . 482 ALA CB . 52958 1 1097 . 1 . 1 487 487 THR HG21 H 1 1.330 0.000 . . . . . . . 487 THR HG2 . 52958 1 1098 . 1 . 1 487 487 THR HG22 H 1 1.330 0.000 . . . . . . . 487 THR HG2 . 52958 1 1099 . 1 . 1 487 487 THR HG23 H 1 1.330 0.000 . . . . . . . 487 THR HG2 . 52958 1 1100 . 1 . 1 487 487 THR CG2 C 13 22.092 0.000 . . . . . . . 487 THR CG2 . 52958 1 1101 . 1 . 1 491 491 ALA HB1 H 1 1.656 0.000 . . . . . . . 491 ALA HB . 52958 1 1102 . 1 . 1 491 491 ALA HB2 H 1 1.656 0.000 . . . . . . . 491 ALA HB . 52958 1 1103 . 1 . 1 491 491 ALA HB3 H 1 1.656 0.000 . . . . . . . 491 ALA HB . 52958 1 1104 . 1 . 1 491 491 ALA CB C 13 23.368 0.000 . . . . . . . 491 ALA CB . 52958 1 1105 . 1 . 1 493 493 ILE HD11 H 1 0.787 0.000 . . . . . . . 493 ILE HD1 . 52958 1 1106 . 1 . 1 493 493 ILE HD12 H 1 0.787 0.000 . . . . . . . 493 ILE HD1 . 52958 1 1107 . 1 . 1 493 493 ILE HD13 H 1 0.787 0.000 . . . . . . . 493 ILE HD1 . 52958 1 1108 . 1 . 1 493 493 ILE CD1 C 13 13.995 0.000 . . . . . . . 493 ILE CD1 . 52958 1 1109 . 1 . 1 494 494 THR HG21 H 1 0.925 0.000 . . . . . . . 494 THR HG2 . 52958 1 1110 . 1 . 1 494 494 THR HG22 H 1 0.925 0.000 . . . . . . . 494 THR HG2 . 52958 1 1111 . 1 . 1 494 494 THR HG23 H 1 0.925 0.000 . . . . . . . 494 THR HG2 . 52958 1 1112 . 1 . 1 494 494 THR CG2 C 13 22.173 0.000 . . . . . . . 494 THR CG2 . 52958 1 1113 . 1 . 1 495 495 ILE HD11 H 1 0.572 0.000 . . . . . . . 495 ILE HD1 . 52958 1 1114 . 1 . 1 495 495 ILE HD12 H 1 0.572 0.000 . . . . . . . 495 ILE HD1 . 52958 1 1115 . 1 . 1 495 495 ILE HD13 H 1 0.572 0.000 . . . . . . . 495 ILE HD1 . 52958 1 1116 . 1 . 1 495 495 ILE CD1 C 13 13.745 0.000 . . . . . . . 495 ILE CD1 . 52958 1 1117 . 1 . 1 498 498 THR HG21 H 1 1.125 0.000 . . . . . . . 498 THR HG2 . 52958 1 1118 . 1 . 1 498 498 THR HG22 H 1 1.125 0.000 . . . . . . . 498 THR HG2 . 52958 1 1119 . 1 . 1 498 498 THR HG23 H 1 1.125 0.000 . . . . . . . 498 THR HG2 . 52958 1 1120 . 1 . 1 498 498 THR CG2 C 13 23.048 0.000 . . . . . . . 498 THR CG2 . 52958 1 1121 . 1 . 1 499 499 THR HG21 H 1 1.125 0.000 . . . . . . . 499 THR HG2 . 52958 1 1122 . 1 . 1 499 499 THR HG22 H 1 1.125 0.000 . . . . . . . 499 THR HG2 . 52958 1 1123 . 1 . 1 499 499 THR HG23 H 1 1.125 0.000 . . . . . . . 499 THR HG2 . 52958 1 1124 . 1 . 1 499 499 THR CG2 C 13 23.048 0.000 . . . . . . . 499 THR CG2 . 52958 1 1125 . 1 . 1 500 500 THR HG21 H 1 1.165 0.000 . . . . . . . 500 THR HG2 . 52958 1 1126 . 1 . 1 500 500 THR HG22 H 1 1.165 0.000 . . . . . . . 500 THR HG2 . 52958 1 1127 . 1 . 1 500 500 THR HG23 H 1 1.165 0.000 . . . . . . . 500 THR HG2 . 52958 1 1128 . 1 . 1 500 500 THR CG2 C 13 21.789 0.000 . . . . . . . 500 THR CG2 . 52958 1 1129 . 1 . 1 501 501 LEU HD11 H 1 0.773 0.000 . . . . . . . 501 LEU HD1 . 52958 1 1130 . 1 . 1 501 501 LEU HD12 H 1 0.773 0.000 . . . . . . . 501 LEU HD1 . 52958 1 1131 . 1 . 1 501 501 LEU HD13 H 1 0.773 0.000 . . . . . . . 501 LEU HD1 . 52958 1 1132 . 1 . 1 501 501 LEU HD21 H 1 0.789 0.000 . . . . . . . 501 LEU HD2 . 52958 1 1133 . 1 . 1 501 501 LEU HD22 H 1 0.789 0.000 . . . . . . . 501 LEU HD2 . 52958 1 1134 . 1 . 1 501 501 LEU HD23 H 1 0.789 0.000 . . . . . . . 501 LEU HD2 . 52958 1 1135 . 1 . 1 501 501 LEU CD1 C 13 25.735 0.000 . . . . . . . 501 LEU CD1 . 52958 1 1136 . 1 . 1 501 501 LEU CD2 C 13 24.393 0.000 . . . . . . . 501 LEU CD2 . 52958 1 1137 . 1 . 1 506 506 ILE HD11 H 1 0.804 0.000 . . . . . . . 506 ILE HD1 . 52958 1 1138 . 1 . 1 506 506 ILE HD12 H 1 0.804 0.000 . . . . . . . 506 ILE HD1 . 52958 1 1139 . 1 . 1 506 506 ILE HD13 H 1 0.804 0.000 . . . . . . . 506 ILE HD1 . 52958 1 1140 . 1 . 1 506 506 ILE CD1 C 13 14.056 0.000 . . . . . . . 506 ILE CD1 . 52958 1 1141 . 1 . 1 509 509 ILE HD11 H 1 0.865 0.000 . . . . . . . 509 ILE HD1 . 52958 1 1142 . 1 . 1 509 509 ILE HD12 H 1 0.865 0.000 . . . . . . . 509 ILE HD1 . 52958 1 1143 . 1 . 1 509 509 ILE HD13 H 1 0.865 0.000 . . . . . . . 509 ILE HD1 . 52958 1 1144 . 1 . 1 509 509 ILE CD1 C 13 13.798 0.000 . . . . . . . 509 ILE CD1 . 52958 1 1145 . 1 . 1 510 510 ILE HD11 H 1 0.785 0.000 . . . . . . . 510 ILE HD1 . 52958 1 1146 . 1 . 1 510 510 ILE HD12 H 1 0.785 0.000 . . . . . . . 510 ILE HD1 . 52958 1 1147 . 1 . 1 510 510 ILE HD13 H 1 0.785 0.000 . . . . . . . 510 ILE HD1 . 52958 1 1148 . 1 . 1 510 510 ILE CD1 C 13 13.048 0.000 . . . . . . . 510 ILE CD1 . 52958 1 1149 . 1 . 1 513 513 ALA HB1 H 1 1.518 0.000 . . . . . . . 513 ALA HB . 52958 1 1150 . 1 . 1 513 513 ALA HB2 H 1 1.518 0.000 . . . . . . . 513 ALA HB . 52958 1 1151 . 1 . 1 513 513 ALA HB3 H 1 1.518 0.000 . . . . . . . 513 ALA HB . 52958 1 1152 . 1 . 1 513 513 ALA CB C 13 18.401 0.000 . . . . . . . 513 ALA CB . 52958 1 1153 . 1 . 1 517 517 ALA HB1 H 1 1.631 0.000 . . . . . . . 517 ALA HB . 52958 1 1154 . 1 . 1 517 517 ALA HB2 H 1 1.631 0.000 . . . . . . . 517 ALA HB . 52958 1 1155 . 1 . 1 517 517 ALA HB3 H 1 1.631 0.000 . . . . . . . 517 ALA HB . 52958 1 1156 . 1 . 1 517 517 ALA CB C 13 19.023 0.000 . . . . . . . 517 ALA CB . 52958 1 1157 . 1 . 1 527 527 ALA HB1 H 1 1.521 0.000 . . . . . . . 527 ALA HB . 52958 1 1158 . 1 . 1 527 527 ALA HB2 H 1 1.521 0.000 . . . . . . . 527 ALA HB . 52958 1 1159 . 1 . 1 527 527 ALA HB3 H 1 1.521 0.000 . . . . . . . 527 ALA HB . 52958 1 1160 . 1 . 1 527 527 ALA CB C 13 18.157 0.000 . . . . . . . 527 ALA CB . 52958 1 1161 . 1 . 1 529 529 LEU HD11 H 1 0.950 0.000 . . . . . . . 529 LEU HD1 . 52958 1 1162 . 1 . 1 529 529 LEU HD12 H 1 0.950 0.000 . . . . . . . 529 LEU HD1 . 52958 1 1163 . 1 . 1 529 529 LEU HD13 H 1 0.950 0.000 . . . . . . . 529 LEU HD1 . 52958 1 1164 . 1 . 1 529 529 LEU HD21 H 1 0.900 0.000 . . . . . . . 529 LEU HD2 . 52958 1 1165 . 1 . 1 529 529 LEU HD22 H 1 0.900 0.000 . . . . . . . 529 LEU HD2 . 52958 1 1166 . 1 . 1 529 529 LEU HD23 H 1 0.900 0.000 . . . . . . . 529 LEU HD2 . 52958 1 1167 . 1 . 1 529 529 LEU CD1 C 13 25.401 0.000 . . . . . . . 529 LEU CD1 . 52958 1 1168 . 1 . 1 529 529 LEU CD2 C 13 23.644 0.000 . . . . . . . 529 LEU CD2 . 52958 1 1169 . 1 . 1 532 532 ALA HB1 H 1 1.575 0.000 . . . . . . . 532 ALA HB . 52958 1 1170 . 1 . 1 532 532 ALA HB2 H 1 1.575 0.000 . . . . . . . 532 ALA HB . 52958 1 1171 . 1 . 1 532 532 ALA HB3 H 1 1.575 0.000 . . . . . . . 532 ALA HB . 52958 1 1172 . 1 . 1 532 532 ALA CB C 13 17.800 0.000 . . . . . . . 532 ALA CB . 52958 1 1173 . 1 . 1 533 533 LEU HD11 H 1 1.057 0.000 . . . . . . . 533 LEU HD1 . 52958 1 1174 . 1 . 1 533 533 LEU HD12 H 1 1.057 0.000 . . . . . . . 533 LEU HD1 . 52958 1 1175 . 1 . 1 533 533 LEU HD13 H 1 1.057 0.000 . . . . . . . 533 LEU HD1 . 52958 1 1176 . 1 . 1 533 533 LEU HD21 H 1 0.990 0.000 . . . . . . . 533 LEU HD2 . 52958 1 1177 . 1 . 1 533 533 LEU HD22 H 1 0.990 0.000 . . . . . . . 533 LEU HD2 . 52958 1 1178 . 1 . 1 533 533 LEU HD23 H 1 0.990 0.000 . . . . . . . 533 LEU HD2 . 52958 1 1179 . 1 . 1 533 533 LEU CD1 C 13 28.842 0.000 . . . . . . . 533 LEU CD1 . 52958 1 1180 . 1 . 1 533 533 LEU CD2 C 13 22.288 0.000 . . . . . . . 533 LEU CD2 . 52958 1 1181 . 1 . 1 536 536 ALA HB1 H 1 1.559 0.000 . . . . . . . 536 ALA HB . 52958 1 1182 . 1 . 1 536 536 ALA HB2 H 1 1.559 0.000 . . . . . . . 536 ALA HB . 52958 1 1183 . 1 . 1 536 536 ALA HB3 H 1 1.559 0.000 . . . . . . . 536 ALA HB . 52958 1 1184 . 1 . 1 536 536 ALA CB C 13 17.664 0.000 . . . . . . . 536 ALA CB . 52958 1 1185 . 1 . 1 538 538 VAL HG11 H 1 1.045 0.000 . . . . . . . 538 VAL HG1 . 52958 1 1186 . 1 . 1 538 538 VAL HG12 H 1 1.045 0.000 . . . . . . . 538 VAL HG1 . 52958 1 1187 . 1 . 1 538 538 VAL HG13 H 1 1.045 0.000 . . . . . . . 538 VAL HG1 . 52958 1 1188 . 1 . 1 538 538 VAL HG21 H 1 0.922 0.000 . . . . . . . 538 VAL HG2 . 52958 1 1189 . 1 . 1 538 538 VAL HG22 H 1 0.922 0.000 . . . . . . . 538 VAL HG2 . 52958 1 1190 . 1 . 1 538 538 VAL HG23 H 1 0.922 0.000 . . . . . . . 538 VAL HG2 . 52958 1 1191 . 1 . 1 538 538 VAL CG1 C 13 22.383 0.000 . . . . . . . 538 VAL CG1 . 52958 1 1192 . 1 . 1 538 538 VAL CG2 C 13 21.032 0.000 . . . . . . . 538 VAL CG2 . 52958 1 1193 . 1 . 1 540 540 ALA HB1 H 1 1.491 0.000 . . . . . . . 540 ALA HB . 52958 1 1194 . 1 . 1 540 540 ALA HB2 H 1 1.491 0.000 . . . . . . . 540 ALA HB . 52958 1 1195 . 1 . 1 540 540 ALA HB3 H 1 1.491 0.000 . . . . . . . 540 ALA HB . 52958 1 1196 . 1 . 1 540 540 ALA CB C 13 19.758 0.000 . . . . . . . 540 ALA CB . 52958 1 1197 . 1 . 1 543 543 VAL HG11 H 1 1.030 0.000 . . . . . . . 543 VAL HG1 . 52958 1 1198 . 1 . 1 543 543 VAL HG12 H 1 1.030 0.000 . . . . . . . 543 VAL HG1 . 52958 1 1199 . 1 . 1 543 543 VAL HG13 H 1 1.030 0.000 . . . . . . . 543 VAL HG1 . 52958 1 1200 . 1 . 1 543 543 VAL HG21 H 1 1.122 0.000 . . . . . . . 543 VAL HG2 . 52958 1 1201 . 1 . 1 543 543 VAL HG22 H 1 1.122 0.000 . . . . . . . 543 VAL HG2 . 52958 1 1202 . 1 . 1 543 543 VAL HG23 H 1 1.122 0.000 . . . . . . . 543 VAL HG2 . 52958 1 1203 . 1 . 1 543 543 VAL CG1 C 13 21.724 0.000 . . . . . . . 543 VAL CG1 . 52958 1 1204 . 1 . 1 543 543 VAL CG2 C 13 22.599 0.000 . . . . . . . 543 VAL CG2 . 52958 1 1205 . 1 . 1 544 544 LEU HD11 H 1 0.673 0.000 . . . . . . . 544 LEU HD1 . 52958 1 1206 . 1 . 1 544 544 LEU HD12 H 1 0.673 0.000 . . . . . . . 544 LEU HD1 . 52958 1 1207 . 1 . 1 544 544 LEU HD13 H 1 0.673 0.000 . . . . . . . 544 LEU HD1 . 52958 1 1208 . 1 . 1 544 544 LEU CD1 C 13 25.371 0.000 . . . . . . . 544 LEU CD1 . 52958 1 1209 . 1 . 1 550 550 ALA HB1 H 1 1.518 0.000 . . . . . . . 550 ALA HB . 52958 1 1210 . 1 . 1 550 550 ALA HB2 H 1 1.518 0.000 . . . . . . . 550 ALA HB . 52958 1 1211 . 1 . 1 550 550 ALA HB3 H 1 1.518 0.000 . . . . . . . 550 ALA HB . 52958 1 1212 . 1 . 1 550 550 ALA CB C 13 17.926 0.000 . . . . . . . 550 ALA CB . 52958 1 1213 . 1 . 1 553 553 ALA HB1 H 1 1.706 0.000 . . . . . . . 553 ALA HB . 52958 1 1214 . 1 . 1 553 553 ALA HB2 H 1 1.706 0.000 . . . . . . . 553 ALA HB . 52958 1 1215 . 1 . 1 553 553 ALA HB3 H 1 1.706 0.000 . . . . . . . 553 ALA HB . 52958 1 1216 . 1 . 1 553 553 ALA CB C 13 18.952 0.000 . . . . . . . 553 ALA CB . 52958 1 1217 . 1 . 1 555 555 ALA HB1 H 1 1.518 0.000 . . . . . . . 555 ALA HB . 52958 1 1218 . 1 . 1 555 555 ALA HB2 H 1 1.518 0.000 . . . . . . . 555 ALA HB . 52958 1 1219 . 1 . 1 555 555 ALA HB3 H 1 1.518 0.000 . . . . . . . 555 ALA HB . 52958 1 1220 . 1 . 1 555 555 ALA CB C 13 17.741 0.000 . . . . . . . 555 ALA CB . 52958 1 1221 . 1 . 1 557 557 LEU HD11 H 1 0.862 0.000 . . . . . . . 557 LEU HD1 . 52958 1 1222 . 1 . 1 557 557 LEU HD12 H 1 0.862 0.000 . . . . . . . 557 LEU HD1 . 52958 1 1223 . 1 . 1 557 557 LEU HD13 H 1 0.862 0.000 . . . . . . . 557 LEU HD1 . 52958 1 1224 . 1 . 1 557 557 LEU HD21 H 1 0.438 0.000 . . . . . . . 557 LEU HD2 . 52958 1 1225 . 1 . 1 557 557 LEU HD22 H 1 0.438 0.000 . . . . . . . 557 LEU HD2 . 52958 1 1226 . 1 . 1 557 557 LEU HD23 H 1 0.438 0.000 . . . . . . . 557 LEU HD2 . 52958 1 1227 . 1 . 1 557 557 LEU CD1 C 13 24.791 0.000 . . . . . . . 557 LEU CD1 . 52958 1 1228 . 1 . 1 557 557 LEU CD2 C 13 25.881 0.000 . . . . . . . 557 LEU CD2 . 52958 1 1229 . 1 . 1 559 559 ALA HB1 H 1 1.518 0.000 . . . . . . . 559 ALA HB . 52958 1 1230 . 1 . 1 559 559 ALA HB2 H 1 1.518 0.000 . . . . . . . 559 ALA HB . 52958 1 1231 . 1 . 1 559 559 ALA HB3 H 1 1.518 0.000 . . . . . . . 559 ALA HB . 52958 1 1232 . 1 . 1 559 559 ALA CB C 13 17.741 0.000 . . . . . . . 559 ALA CB . 52958 1 1233 . 1 . 1 560 560 ALA HB1 H 1 1.548 0.000 . . . . . . . 560 ALA HB . 52958 1 1234 . 1 . 1 560 560 ALA HB2 H 1 1.548 0.000 . . . . . . . 560 ALA HB . 52958 1 1235 . 1 . 1 560 560 ALA HB3 H 1 1.548 0.000 . . . . . . . 560 ALA HB . 52958 1 1236 . 1 . 1 560 560 ALA CB C 13 18.217 0.000 . . . . . . . 560 ALA CB . 52958 1 1237 . 1 . 1 561 561 ILE HD11 H 1 0.719 0.000 . . . . . . . 561 ILE HD1 . 52958 1 1238 . 1 . 1 561 561 ILE HD12 H 1 0.719 0.000 . . . . . . . 561 ILE HD1 . 52958 1 1239 . 1 . 1 561 561 ILE HD13 H 1 0.719 0.000 . . . . . . . 561 ILE HD1 . 52958 1 1240 . 1 . 1 561 561 ILE CD1 C 13 15.079 0.000 . . . . . . . 561 ILE CD1 . 52958 1 1241 . 1 . 1 564 564 ALA HB1 H 1 1.534 0.000 . . . . . . . 564 ALA HB . 52958 1 1242 . 1 . 1 564 564 ALA HB2 H 1 1.534 0.000 . . . . . . . 564 ALA HB . 52958 1 1243 . 1 . 1 564 564 ALA HB3 H 1 1.534 0.000 . . . . . . . 564 ALA HB . 52958 1 1244 . 1 . 1 564 564 ALA CB C 13 19.194 0.000 . . . . . . . 564 ALA CB . 52958 1 1245 . 1 . 1 567 567 LEU HD11 H 1 0.738 0.000 . . . . . . . 567 LEU HD1 . 52958 1 1246 . 1 . 1 567 567 LEU HD12 H 1 0.738 0.000 . . . . . . . 567 LEU HD1 . 52958 1 1247 . 1 . 1 567 567 LEU HD13 H 1 0.738 0.000 . . . . . . . 567 LEU HD1 . 52958 1 1248 . 1 . 1 567 567 LEU HD21 H 1 0.767 0.000 . . . . . . . 567 LEU HD2 . 52958 1 1249 . 1 . 1 567 567 LEU HD22 H 1 0.767 0.000 . . . . . . . 567 LEU HD2 . 52958 1 1250 . 1 . 1 567 567 LEU HD23 H 1 0.767 0.000 . . . . . . . 567 LEU HD2 . 52958 1 1251 . 1 . 1 567 567 LEU CD1 C 13 27.346 0.000 . . . . . . . 567 LEU CD1 . 52958 1 1252 . 1 . 1 567 567 LEU CD2 C 13 23.132 0.000 . . . . . . . 567 LEU CD2 . 52958 1 1253 . 1 . 1 568 568 VAL HG11 H 1 1.115 0.000 . . . . . . . 568 VAL HG1 . 52958 1 1254 . 1 . 1 568 568 VAL HG12 H 1 1.115 0.000 . . . . . . . 568 VAL HG1 . 52958 1 1255 . 1 . 1 568 568 VAL HG13 H 1 1.115 0.000 . . . . . . . 568 VAL HG1 . 52958 1 1256 . 1 . 1 568 568 VAL HG21 H 1 0.973 0.000 . . . . . . . 568 VAL HG2 . 52958 1 1257 . 1 . 1 568 568 VAL HG22 H 1 0.973 0.000 . . . . . . . 568 VAL HG2 . 52958 1 1258 . 1 . 1 568 568 VAL HG23 H 1 0.973 0.000 . . . . . . . 568 VAL HG2 . 52958 1 1259 . 1 . 1 568 568 VAL CG1 C 13 23.369 0.000 . . . . . . . 568 VAL CG1 . 52958 1 1260 . 1 . 1 568 568 VAL CG2 C 13 21.349 0.000 . . . . . . . 568 VAL CG2 . 52958 1 1261 . 1 . 1 572 572 ALA HB1 H 1 1.341 0.000 . . . . . . . 572 ALA HB . 52958 1 1262 . 1 . 1 572 572 ALA HB2 H 1 1.341 0.000 . . . . . . . 572 ALA HB . 52958 1 1263 . 1 . 1 572 572 ALA HB3 H 1 1.341 0.000 . . . . . . . 572 ALA HB . 52958 1 1264 . 1 . 1 572 572 ALA CB C 13 19.937 0.000 . . . . . . . 572 ALA CB . 52958 1 1265 . 1 . 1 577 577 LEU HD11 H 1 0.760 0.000 . . . . . . . 577 LEU HD1 . 52958 1 1266 . 1 . 1 577 577 LEU HD12 H 1 0.760 0.000 . . . . . . . 577 LEU HD1 . 52958 1 1267 . 1 . 1 577 577 LEU HD13 H 1 0.760 0.000 . . . . . . . 577 LEU HD1 . 52958 1 1268 . 1 . 1 577 577 LEU HD21 H 1 0.665 0.000 . . . . . . . 577 LEU HD2 . 52958 1 1269 . 1 . 1 577 577 LEU HD22 H 1 0.665 0.000 . . . . . . . 577 LEU HD2 . 52958 1 1270 . 1 . 1 577 577 LEU HD23 H 1 0.665 0.000 . . . . . . . 577 LEU HD2 . 52958 1 1271 . 1 . 1 577 577 LEU CD1 C 13 27.218 0.000 . . . . . . . 577 LEU CD1 . 52958 1 1272 . 1 . 1 577 577 LEU CD2 C 13 23.811 0.000 . . . . . . . 577 LEU CD2 . 52958 1 1273 . 1 . 1 579 579 ALA HB1 H 1 1.525 0.000 . . . . . . . 579 ALA HB . 52958 1 1274 . 1 . 1 579 579 ALA HB2 H 1 1.525 0.000 . . . . . . . 579 ALA HB . 52958 1 1275 . 1 . 1 579 579 ALA HB3 H 1 1.525 0.000 . . . . . . . 579 ALA HB . 52958 1 1276 . 1 . 1 579 579 ALA CB C 13 17.978 0.000 . . . . . . . 579 ALA CB . 52958 1 1277 . 1 . 1 580 580 ALA HB1 H 1 1.503 0.000 . . . . . . . 580 ALA HB . 52958 1 1278 . 1 . 1 580 580 ALA HB2 H 1 1.503 0.000 . . . . . . . 580 ALA HB . 52958 1 1279 . 1 . 1 580 580 ALA HB3 H 1 1.503 0.000 . . . . . . . 580 ALA HB . 52958 1 1280 . 1 . 1 580 580 ALA CB C 13 19.268 0.000 . . . . . . . 580 ALA CB . 52958 1 1281 . 1 . 1 581 581 THR HG21 H 1 1.130 0.000 . . . . . . . 581 THR HG2 . 52958 1 1282 . 1 . 1 581 581 THR HG22 H 1 1.130 0.000 . . . . . . . 581 THR HG2 . 52958 1 1283 . 1 . 1 581 581 THR HG23 H 1 1.130 0.000 . . . . . . . 581 THR HG2 . 52958 1 1284 . 1 . 1 581 581 THR CG2 C 13 20.788 0.000 . . . . . . . 581 THR CG2 . 52958 1 1285 . 1 . 1 584 584 LEU HD21 H 1 0.751 0.000 . . . . . . . 584 LEU HD2 . 52958 1 1286 . 1 . 1 584 584 LEU HD22 H 1 0.751 0.000 . . . . . . . 584 LEU HD2 . 52958 1 1287 . 1 . 1 584 584 LEU HD23 H 1 0.751 0.000 . . . . . . . 584 LEU HD2 . 52958 1 1288 . 1 . 1 584 584 LEU CD2 C 13 26.167 0.000 . . . . . . . 584 LEU CD2 . 52958 1 1289 . 1 . 1 585 585 LEU HD11 H 1 0.859 0.000 . . . . . . . 585 LEU HD1 . 52958 1 1290 . 1 . 1 585 585 LEU HD12 H 1 0.859 0.000 . . . . . . . 585 LEU HD1 . 52958 1 1291 . 1 . 1 585 585 LEU HD13 H 1 0.859 0.000 . . . . . . . 585 LEU HD1 . 52958 1 1292 . 1 . 1 585 585 LEU HD21 H 1 0.872 0.000 . . . . . . . 585 LEU HD2 . 52958 1 1293 . 1 . 1 585 585 LEU HD22 H 1 0.872 0.000 . . . . . . . 585 LEU HD2 . 52958 1 1294 . 1 . 1 585 585 LEU HD23 H 1 0.872 0.000 . . . . . . . 585 LEU HD2 . 52958 1 1295 . 1 . 1 585 585 LEU CD1 C 13 22.168 0.000 . . . . . . . 585 LEU CD1 . 52958 1 1296 . 1 . 1 585 585 LEU CD2 C 13 25.138 0.000 . . . . . . . 585 LEU CD2 . 52958 1 1297 . 1 . 1 587 587 ALA HB1 H 1 1.463 0.000 . . . . . . . 587 ALA HB . 52958 1 1298 . 1 . 1 587 587 ALA HB2 H 1 1.463 0.000 . . . . . . . 587 ALA HB . 52958 1 1299 . 1 . 1 587 587 ALA HB3 H 1 1.463 0.000 . . . . . . . 587 ALA HB . 52958 1 1300 . 1 . 1 587 587 ALA CB C 13 17.952 0.000 . . . . . . . 587 ALA CB . 52958 1 1301 . 1 . 1 588 588 VAL HG11 H 1 1.092 0.000 . . . . . . . 588 VAL HG1 . 52958 1 1302 . 1 . 1 588 588 VAL HG12 H 1 1.092 0.000 . . . . . . . 588 VAL HG1 . 52958 1 1303 . 1 . 1 588 588 VAL HG13 H 1 1.092 0.000 . . . . . . . 588 VAL HG1 . 52958 1 1304 . 1 . 1 588 588 VAL HG21 H 1 1.040 0.000 . . . . . . . 588 VAL HG2 . 52958 1 1305 . 1 . 1 588 588 VAL HG22 H 1 1.040 0.000 . . . . . . . 588 VAL HG2 . 52958 1 1306 . 1 . 1 588 588 VAL HG23 H 1 1.040 0.000 . . . . . . . 588 VAL HG2 . 52958 1 1307 . 1 . 1 588 588 VAL CG1 C 13 24.384 0.000 . . . . . . . 588 VAL CG1 . 52958 1 1308 . 1 . 1 588 588 VAL CG2 C 13 21.935 0.000 . . . . . . . 588 VAL CG2 . 52958 1 1309 . 1 . 1 595 595 ALA HB1 H 1 1.161 0.000 . . . . . . . 595 ALA HB . 52958 1 1310 . 1 . 1 595 595 ALA HB2 H 1 1.161 0.000 . . . . . . . 595 ALA HB . 52958 1 1311 . 1 . 1 595 595 ALA HB3 H 1 1.161 0.000 . . . . . . . 595 ALA HB . 52958 1 1312 . 1 . 1 595 595 ALA CB C 13 19.158 0.000 . . . . . . . 595 ALA CB . 52958 1 1313 . 1 . 1 597 597 ALA HB1 H 1 1.408 0.000 . . . . . . . 597 ALA HB . 52958 1 1314 . 1 . 1 597 597 ALA HB2 H 1 1.408 0.000 . . . . . . . 597 ALA HB . 52958 1 1315 . 1 . 1 597 597 ALA HB3 H 1 1.408 0.000 . . . . . . . 597 ALA HB . 52958 1 1316 . 1 . 1 597 597 ALA CB C 13 19.068 0.000 . . . . . . . 597 ALA CB . 52958 1 1317 . 1 . 1 598 598 ALA HB1 H 1 1.401 0.000 . . . . . . . 598 ALA HB . 52958 1 1318 . 1 . 1 598 598 ALA HB2 H 1 1.401 0.000 . . . . . . . 598 ALA HB . 52958 1 1319 . 1 . 1 598 598 ALA HB3 H 1 1.401 0.000 . . . . . . . 598 ALA HB . 52958 1 1320 . 1 . 1 598 598 ALA CB C 13 19.126 0.000 . . . . . . . 598 ALA CB . 52958 1 1321 . 1 . 1 606 606 VAL HG21 H 1 0.902 0.000 . . . . . . . 606 VAL HG2 . 52958 1 1322 . 1 . 1 606 606 VAL HG22 H 1 0.902 0.000 . . . . . . . 606 VAL HG2 . 52958 1 1323 . 1 . 1 606 606 VAL HG23 H 1 0.902 0.000 . . . . . . . 606 VAL HG2 . 52958 1 1324 . 1 . 1 606 606 VAL CG2 C 13 20.305 0.000 . . . . . . . 606 VAL CG2 . 52958 1 1325 . 1 . 1 607 607 ILE HD11 H 1 0.810 0.000 . . . . . . . 607 ILE HD1 . 52958 1 1326 . 1 . 1 607 607 ILE HD12 H 1 0.810 0.000 . . . . . . . 607 ILE HD1 . 52958 1 1327 . 1 . 1 607 607 ILE HD13 H 1 0.810 0.000 . . . . . . . 607 ILE HD1 . 52958 1 1328 . 1 . 1 607 607 ILE CD1 C 13 12.630 0.000 . . . . . . . 607 ILE CD1 . 52958 1 1329 . 1 . 1 609 609 ALA HB1 H 1 1.345 0.000 . . . . . . . 609 ALA HB . 52958 1 1330 . 1 . 1 609 609 ALA HB2 H 1 1.345 0.000 . . . . . . . 609 ALA HB . 52958 1 1331 . 1 . 1 609 609 ALA HB3 H 1 1.345 0.000 . . . . . . . 609 ALA HB . 52958 1 1332 . 1 . 1 609 609 ALA CB C 13 19.335 0.000 . . . . . . . 609 ALA CB . 52958 1 1333 . 1 . 1 614 614 ALA HB1 H 1 1.381 0.000 . . . . . . . 614 ALA HB . 52958 1 1334 . 1 . 1 614 614 ALA HB2 H 1 1.381 0.000 . . . . . . . 614 ALA HB . 52958 1 1335 . 1 . 1 614 614 ALA HB3 H 1 1.381 0.000 . . . . . . . 614 ALA HB . 52958 1 1336 . 1 . 1 614 614 ALA CB C 13 19.431 0.000 . . . . . . . 614 ALA CB . 52958 1 stop_ save_