data_52228 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52228 _Entry.Title ; Assignment of trastuzumab-scFab ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-05 _Entry.Accession_date 2023-12-05 _Entry.Last_release_date 2023-12-07 _Entry.Original_release_date 2023-12-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details trastuzumab-scFab _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 Donald Gagne . . . 0000-0002-3938-6567 52228 2 James Aramini . M. . 0000-0001-8926-4210 52228 3 Yves Aubin . . . . 52228 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Health Canada' . 52228 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52228 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1373 52228 '15N chemical shifts' 405 52228 '1H chemical shifts' 829 52228 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 . . 2024-05-02 . original BMRB . 52228 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52228 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Assignment of trastuzumab-scFab ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomolecular NMR Assignments' _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 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Donald Gagne . . . . 52228 1 2 James Aramini . M. . . 52228 1 3 Yves Aubin . . . . 52228 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignment 52228 1 'Monoclonal antibodies' 52228 1 'Solution NMR' 52228 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52228 _Assembly.ID 1 _Assembly.Name trastuzumab-scFab _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 47801.41 _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 trastuzumab-scFab 1 $entity_1 . . yes native no no . . . 52228 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52228 _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 ; GSEVQLVESGGGLVQPGGSL RLSCAASGFNIKDTYIHWVR QAPGKGLEWVARIYPTNGYT RYADSVKGRFTISADTSKNT AYLQMNSLRAEDTAVYYCSR WGGDGFYAMDYWGQGTLVTV SSASTKGPSVFPLAPSSKST SGGTAALGCLVKDYFPEPVT VSWNSGALTSGVHTFPAVLQ SSGLYSLSSVVTVPSSSLGT QTYICNVNHKPSNTKVDKKV EPKSCDKTHTAPGGGGSGGG GSGGGGSGGGGSGGGGSGGG GSSSGLVPRGSDIQMTQSPS SLSASVGDRVTITCRASQDV NTAVAWYQQKPGKAPKLLIY SASFLYSGVPSRFSGSRSGT DFTLTISSLQPEDFATYYCQ QHYTTPPTFGQGTKVEIKRT VAAPSVFIFPPSDEQLKSGT ASVVCLLNNFYPREAKVQWK VDNALQSGNSQESVTEQDSK DSTYSLSSTLTLSKADYEKH KVYACEVTHQGLSSPVTKSF NRGEC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 485 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Trastuzumab, sold under Herceptin, is a monoclonal anti-human epidermal growth factor receptor 2 protein antibody used to treat HER2-positive breast, gastroesophageal, and gastric cancers. Produced in CHO cell cultures, trastuzumab is a recombinant IgG1 kappa, humanized monoclonal antibody 6 that selectively binds with high affinity in a cell-based assay (Kd = 5 nM) to the extracellular domain of the human epidermal growth factor receptor protein (HER2). It is used as a treatment of human epidermal growth factor receptor (HER)-2+ metastatic breast cancer, where there is a proven amplification of the HER-2 oncogene or over-expression of the HER-2 protein in tumors. ; 52228 1 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 . GLY . 52228 1 2 . SER . 52228 1 3 . GLU . 52228 1 4 . VAL . 52228 1 5 . GLN . 52228 1 6 . LEU . 52228 1 7 . VAL . 52228 1 8 . GLU . 52228 1 9 . SER . 52228 1 10 . GLY . 52228 1 11 . GLY . 52228 1 12 . GLY . 52228 1 13 . LEU . 52228 1 14 . VAL . 52228 1 15 . GLN . 52228 1 16 . PRO . 52228 1 17 . GLY . 52228 1 18 . GLY . 52228 1 19 . SER . 52228 1 20 . LEU . 52228 1 21 . ARG . 52228 1 22 . LEU . 52228 1 23 . SER . 52228 1 24 . CYS . 52228 1 25 . ALA . 52228 1 26 . ALA . 52228 1 27 . SER . 52228 1 28 . GLY . 52228 1 29 . PHE . 52228 1 30 . ASN . 52228 1 31 . ILE . 52228 1 32 . LYS . 52228 1 33 . ASP . 52228 1 34 . THR . 52228 1 35 . TYR . 52228 1 36 . ILE . 52228 1 37 . HIS . 52228 1 38 . TRP . 52228 1 39 . VAL . 52228 1 40 . ARG . 52228 1 41 . GLN . 52228 1 42 . ALA . 52228 1 43 . PRO . 52228 1 44 . GLY . 52228 1 45 . LYS . 52228 1 46 . GLY . 52228 1 47 . LEU . 52228 1 48 . GLU . 52228 1 49 . TRP . 52228 1 50 . VAL . 52228 1 51 . ALA . 52228 1 52 . ARG . 52228 1 53 . ILE . 52228 1 54 . TYR . 52228 1 55 . PRO . 52228 1 56 . THR . 52228 1 57 . ASN . 52228 1 58 . GLY . 52228 1 59 . TYR . 52228 1 60 . THR . 52228 1 61 . ARG . 52228 1 62 . TYR . 52228 1 63 . ALA . 52228 1 64 . ASP . 52228 1 65 . SER . 52228 1 66 . VAL . 52228 1 67 . LYS . 52228 1 68 . GLY . 52228 1 69 . ARG . 52228 1 70 . PHE . 52228 1 71 . THR . 52228 1 72 . ILE . 52228 1 73 . SER . 52228 1 74 . ALA . 52228 1 75 . ASP . 52228 1 76 . THR . 52228 1 77 . SER . 52228 1 78 . LYS . 52228 1 79 . ASN . 52228 1 80 . THR . 52228 1 81 . ALA . 52228 1 82 . TYR . 52228 1 83 . LEU . 52228 1 84 . GLN . 52228 1 85 . MET . 52228 1 86 . ASN . 52228 1 87 . SER . 52228 1 88 . LEU . 52228 1 89 . ARG . 52228 1 90 . ALA . 52228 1 91 . GLU . 52228 1 92 . ASP . 52228 1 93 . THR . 52228 1 94 . ALA . 52228 1 95 . VAL . 52228 1 96 . TYR . 52228 1 97 . TYR . 52228 1 98 . CYS . 52228 1 99 . SER . 52228 1 100 . ARG . 52228 1 101 . TRP . 52228 1 102 . GLY . 52228 1 103 . GLY . 52228 1 104 . ASP . 52228 1 105 . GLY . 52228 1 106 . PHE . 52228 1 107 . TYR . 52228 1 108 . ALA . 52228 1 109 . MET . 52228 1 110 . ASP . 52228 1 111 . TYR . 52228 1 112 . TRP . 52228 1 113 . GLY . 52228 1 114 . GLN . 52228 1 115 . GLY . 52228 1 116 . THR . 52228 1 117 . LEU . 52228 1 118 . VAL . 52228 1 119 . THR . 52228 1 120 . VAL . 52228 1 121 . SER . 52228 1 122 . SER . 52228 1 123 . ALA . 52228 1 124 . SER . 52228 1 125 . THR . 52228 1 126 . LYS . 52228 1 127 . GLY . 52228 1 128 . PRO . 52228 1 129 . SER . 52228 1 130 . VAL . 52228 1 131 . PHE . 52228 1 132 . PRO . 52228 1 133 . LEU . 52228 1 134 . ALA . 52228 1 135 . PRO . 52228 1 136 . SER . 52228 1 137 . SER . 52228 1 138 . LYS . 52228 1 139 . SER . 52228 1 140 . THR . 52228 1 141 . SER . 52228 1 142 . GLY . 52228 1 143 . GLY . 52228 1 144 . THR . 52228 1 145 . ALA . 52228 1 146 . ALA . 52228 1 147 . LEU . 52228 1 148 . GLY . 52228 1 149 . CYS . 52228 1 150 . LEU . 52228 1 151 . VAL . 52228 1 152 . LYS . 52228 1 153 . ASP . 52228 1 154 . TYR . 52228 1 155 . PHE . 52228 1 156 . PRO . 52228 1 157 . GLU . 52228 1 158 . PRO . 52228 1 159 . VAL . 52228 1 160 . THR . 52228 1 161 . VAL . 52228 1 162 . SER . 52228 1 163 . TRP . 52228 1 164 . ASN . 52228 1 165 . SER . 52228 1 166 . GLY . 52228 1 167 . ALA . 52228 1 168 . LEU . 52228 1 169 . THR . 52228 1 170 . SER . 52228 1 171 . GLY . 52228 1 172 . VAL . 52228 1 173 . HIS . 52228 1 174 . THR . 52228 1 175 . PHE . 52228 1 176 . PRO . 52228 1 177 . ALA . 52228 1 178 . VAL . 52228 1 179 . LEU . 52228 1 180 . GLN . 52228 1 181 . SER . 52228 1 182 . SER . 52228 1 183 . GLY . 52228 1 184 . LEU . 52228 1 185 . TYR . 52228 1 186 . SER . 52228 1 187 . LEU . 52228 1 188 . SER . 52228 1 189 . SER . 52228 1 190 . VAL . 52228 1 191 . VAL . 52228 1 192 . THR . 52228 1 193 . VAL . 52228 1 194 . PRO . 52228 1 195 . SER . 52228 1 196 . SER . 52228 1 197 . SER . 52228 1 198 . LEU . 52228 1 199 . GLY . 52228 1 200 . THR . 52228 1 201 . GLN . 52228 1 202 . THR . 52228 1 203 . TYR . 52228 1 204 . ILE . 52228 1 205 . CYS . 52228 1 206 . ASN . 52228 1 207 . VAL . 52228 1 208 . ASN . 52228 1 209 . HIS . 52228 1 210 . LYS . 52228 1 211 . PRO . 52228 1 212 . SER . 52228 1 213 . ASN . 52228 1 214 . THR . 52228 1 215 . LYS . 52228 1 216 . VAL . 52228 1 217 . ASP . 52228 1 218 . LYS . 52228 1 219 . LYS . 52228 1 220 . VAL . 52228 1 221 . GLU . 52228 1 222 . PRO . 52228 1 223 . LYS . 52228 1 224 . SER . 52228 1 225 . CYS . 52228 1 226 . ASP . 52228 1 227 . LYS . 52228 1 228 . THR . 52228 1 229 . HIS . 52228 1 230 . THR . 52228 1 231 . ALA . 52228 1 232 . PRO . 52228 1 233 . GLY . 52228 1 234 . GLY . 52228 1 235 . GLY . 52228 1 236 . GLY . 52228 1 237 . SER . 52228 1 238 . GLY . 52228 1 239 . GLY . 52228 1 240 . GLY . 52228 1 241 . GLY . 52228 1 242 . SER . 52228 1 243 . GLY . 52228 1 244 . GLY . 52228 1 245 . GLY . 52228 1 246 . GLY . 52228 1 247 . SER . 52228 1 248 . GLY . 52228 1 249 . GLY . 52228 1 250 . GLY . 52228 1 251 . GLY . 52228 1 252 . SER . 52228 1 253 . GLY . 52228 1 254 . GLY . 52228 1 255 . GLY . 52228 1 256 . GLY . 52228 1 257 . SER . 52228 1 258 . GLY . 52228 1 259 . GLY . 52228 1 260 . GLY . 52228 1 261 . GLY . 52228 1 262 . SER . 52228 1 263 . SER . 52228 1 264 . SER . 52228 1 265 . GLY . 52228 1 266 . LEU . 52228 1 267 . VAL . 52228 1 268 . PRO . 52228 1 269 . ARG . 52228 1 270 . GLY . 52228 1 271 . SER . 52228 1 272 . ASP . 52228 1 273 . ILE . 52228 1 274 . GLN . 52228 1 275 . MET . 52228 1 276 . THR . 52228 1 277 . GLN . 52228 1 278 . SER . 52228 1 279 . PRO . 52228 1 280 . SER . 52228 1 281 . SER . 52228 1 282 . LEU . 52228 1 283 . SER . 52228 1 284 . ALA . 52228 1 285 . SER . 52228 1 286 . VAL . 52228 1 287 . GLY . 52228 1 288 . ASP . 52228 1 289 . ARG . 52228 1 290 . VAL . 52228 1 291 . THR . 52228 1 292 . ILE . 52228 1 293 . THR . 52228 1 294 . CYS . 52228 1 295 . ARG . 52228 1 296 . ALA . 52228 1 297 . SER . 52228 1 298 . GLN . 52228 1 299 . ASP . 52228 1 300 . VAL . 52228 1 301 . ASN . 52228 1 302 . THR . 52228 1 303 . ALA . 52228 1 304 . VAL . 52228 1 305 . ALA . 52228 1 306 . TRP . 52228 1 307 . TYR . 52228 1 308 . GLN . 52228 1 309 . GLN . 52228 1 310 . LYS . 52228 1 311 . PRO . 52228 1 312 . GLY . 52228 1 313 . LYS . 52228 1 314 . ALA . 52228 1 315 . PRO . 52228 1 316 . LYS . 52228 1 317 . LEU . 52228 1 318 . LEU . 52228 1 319 . ILE . 52228 1 320 . TYR . 52228 1 321 . SER . 52228 1 322 . ALA . 52228 1 323 . SER . 52228 1 324 . PHE . 52228 1 325 . LEU . 52228 1 326 . TYR . 52228 1 327 . SER . 52228 1 328 . GLY . 52228 1 329 . VAL . 52228 1 330 . PRO . 52228 1 331 . SER . 52228 1 332 . ARG . 52228 1 333 . PHE . 52228 1 334 . SER . 52228 1 335 . GLY . 52228 1 336 . SER . 52228 1 337 . ARG . 52228 1 338 . SER . 52228 1 339 . GLY . 52228 1 340 . THR . 52228 1 341 . ASP . 52228 1 342 . PHE . 52228 1 343 . THR . 52228 1 344 . LEU . 52228 1 345 . THR . 52228 1 346 . ILE . 52228 1 347 . SER . 52228 1 348 . SER . 52228 1 349 . LEU . 52228 1 350 . GLN . 52228 1 351 . PRO . 52228 1 352 . GLU . 52228 1 353 . ASP . 52228 1 354 . PHE . 52228 1 355 . ALA . 52228 1 356 . THR . 52228 1 357 . TYR . 52228 1 358 . TYR . 52228 1 359 . CYS . 52228 1 360 . GLN . 52228 1 361 . GLN . 52228 1 362 . HIS . 52228 1 363 . TYR . 52228 1 364 . THR . 52228 1 365 . THR . 52228 1 366 . PRO . 52228 1 367 . PRO . 52228 1 368 . THR . 52228 1 369 . PHE . 52228 1 370 . GLY . 52228 1 371 . GLN . 52228 1 372 . GLY . 52228 1 373 . THR . 52228 1 374 . LYS . 52228 1 375 . VAL . 52228 1 376 . GLU . 52228 1 377 . ILE . 52228 1 378 . LYS . 52228 1 379 . ARG . 52228 1 380 . THR . 52228 1 381 . VAL . 52228 1 382 . ALA . 52228 1 383 . ALA . 52228 1 384 . PRO . 52228 1 385 . SER . 52228 1 386 . VAL . 52228 1 387 . PHE . 52228 1 388 . ILE . 52228 1 389 . PHE . 52228 1 390 . PRO . 52228 1 391 . PRO . 52228 1 392 . SER . 52228 1 393 . ASP . 52228 1 394 . GLU . 52228 1 395 . GLN . 52228 1 396 . LEU . 52228 1 397 . LYS . 52228 1 398 . SER . 52228 1 399 . GLY . 52228 1 400 . THR . 52228 1 401 . ALA . 52228 1 402 . SER . 52228 1 403 . VAL . 52228 1 404 . VAL . 52228 1 405 . CYS . 52228 1 406 . LEU . 52228 1 407 . LEU . 52228 1 408 . ASN . 52228 1 409 . ASN . 52228 1 410 . PHE . 52228 1 411 . TYR . 52228 1 412 . PRO . 52228 1 413 . ARG . 52228 1 414 . GLU . 52228 1 415 . ALA . 52228 1 416 . LYS . 52228 1 417 . VAL . 52228 1 418 . GLN . 52228 1 419 . TRP . 52228 1 420 . LYS . 52228 1 421 . VAL . 52228 1 422 . ASP . 52228 1 423 . ASN . 52228 1 424 . ALA . 52228 1 425 . LEU . 52228 1 426 . GLN . 52228 1 427 . SER . 52228 1 428 . GLY . 52228 1 429 . ASN . 52228 1 430 . SER . 52228 1 431 . GLN . 52228 1 432 . GLU . 52228 1 433 . SER . 52228 1 434 . VAL . 52228 1 435 . THR . 52228 1 436 . GLU . 52228 1 437 . GLN . 52228 1 438 . ASP . 52228 1 439 . SER . 52228 1 440 . LYS . 52228 1 441 . ASP . 52228 1 442 . SER . 52228 1 443 . THR . 52228 1 444 . TYR . 52228 1 445 . SER . 52228 1 446 . LEU . 52228 1 447 . SER . 52228 1 448 . SER . 52228 1 449 . THR . 52228 1 450 . LEU . 52228 1 451 . THR . 52228 1 452 . LEU . 52228 1 453 . SER . 52228 1 454 . LYS . 52228 1 455 . ALA . 52228 1 456 . ASP . 52228 1 457 . TYR . 52228 1 458 . GLU . 52228 1 459 . LYS . 52228 1 460 . HIS . 52228 1 461 . LYS . 52228 1 462 . VAL . 52228 1 463 . TYR . 52228 1 464 . ALA . 52228 1 465 . CYS . 52228 1 466 . GLU . 52228 1 467 . VAL . 52228 1 468 . THR . 52228 1 469 . HIS . 52228 1 470 . GLN . 52228 1 471 . GLY . 52228 1 472 . LEU . 52228 1 473 . SER . 52228 1 474 . SER . 52228 1 475 . PRO . 52228 1 476 . VAL . 52228 1 477 . THR . 52228 1 478 . LYS . 52228 1 479 . SER . 52228 1 480 . PHE . 52228 1 481 . ASN . 52228 1 482 . ARG . 52228 1 483 . GLY . 52228 1 484 . GLU . 52228 1 485 . CYS . 52228 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52228 1 . SER 2 2 52228 1 . GLU 3 3 52228 1 . VAL 4 4 52228 1 . GLN 5 5 52228 1 . LEU 6 6 52228 1 . VAL 7 7 52228 1 . GLU 8 8 52228 1 . SER 9 9 52228 1 . GLY 10 10 52228 1 . GLY 11 11 52228 1 . GLY 12 12 52228 1 . LEU 13 13 52228 1 . VAL 14 14 52228 1 . GLN 15 15 52228 1 . PRO 16 16 52228 1 . GLY 17 17 52228 1 . GLY 18 18 52228 1 . SER 19 19 52228 1 . LEU 20 20 52228 1 . ARG 21 21 52228 1 . LEU 22 22 52228 1 . SER 23 23 52228 1 . CYS 24 24 52228 1 . ALA 25 25 52228 1 . ALA 26 26 52228 1 . SER 27 27 52228 1 . GLY 28 28 52228 1 . PHE 29 29 52228 1 . ASN 30 30 52228 1 . ILE 31 31 52228 1 . LYS 32 32 52228 1 . ASP 33 33 52228 1 . THR 34 34 52228 1 . TYR 35 35 52228 1 . ILE 36 36 52228 1 . HIS 37 37 52228 1 . TRP 38 38 52228 1 . VAL 39 39 52228 1 . ARG 40 40 52228 1 . GLN 41 41 52228 1 . ALA 42 42 52228 1 . PRO 43 43 52228 1 . GLY 44 44 52228 1 . LYS 45 45 52228 1 . GLY 46 46 52228 1 . LEU 47 47 52228 1 . GLU 48 48 52228 1 . TRP 49 49 52228 1 . VAL 50 50 52228 1 . ALA 51 51 52228 1 . ARG 52 52 52228 1 . ILE 53 53 52228 1 . TYR 54 54 52228 1 . PRO 55 55 52228 1 . THR 56 56 52228 1 . ASN 57 57 52228 1 . GLY 58 58 52228 1 . TYR 59 59 52228 1 . THR 60 60 52228 1 . ARG 61 61 52228 1 . TYR 62 62 52228 1 . ALA 63 63 52228 1 . ASP 64 64 52228 1 . SER 65 65 52228 1 . VAL 66 66 52228 1 . LYS 67 67 52228 1 . GLY 68 68 52228 1 . ARG 69 69 52228 1 . PHE 70 70 52228 1 . THR 71 71 52228 1 . ILE 72 72 52228 1 . SER 73 73 52228 1 . ALA 74 74 52228 1 . ASP 75 75 52228 1 . THR 76 76 52228 1 . SER 77 77 52228 1 . LYS 78 78 52228 1 . ASN 79 79 52228 1 . THR 80 80 52228 1 . ALA 81 81 52228 1 . TYR 82 82 52228 1 . LEU 83 83 52228 1 . GLN 84 84 52228 1 . MET 85 85 52228 1 . ASN 86 86 52228 1 . SER 87 87 52228 1 . LEU 88 88 52228 1 . ARG 89 89 52228 1 . ALA 90 90 52228 1 . GLU 91 91 52228 1 . ASP 92 92 52228 1 . THR 93 93 52228 1 . ALA 94 94 52228 1 . VAL 95 95 52228 1 . TYR 96 96 52228 1 . TYR 97 97 52228 1 . CYS 98 98 52228 1 . SER 99 99 52228 1 . ARG 100 100 52228 1 . TRP 101 101 52228 1 . GLY 102 102 52228 1 . GLY 103 103 52228 1 . ASP 104 104 52228 1 . GLY 105 105 52228 1 . PHE 106 106 52228 1 . TYR 107 107 52228 1 . ALA 108 108 52228 1 . MET 109 109 52228 1 . ASP 110 110 52228 1 . TYR 111 111 52228 1 . TRP 112 112 52228 1 . GLY 113 113 52228 1 . GLN 114 114 52228 1 . GLY 115 115 52228 1 . THR 116 116 52228 1 . LEU 117 117 52228 1 . VAL 118 118 52228 1 . THR 119 119 52228 1 . VAL 120 120 52228 1 . SER 121 121 52228 1 . SER 122 122 52228 1 . ALA 123 123 52228 1 . SER 124 124 52228 1 . THR 125 125 52228 1 . LYS 126 126 52228 1 . GLY 127 127 52228 1 . PRO 128 128 52228 1 . SER 129 129 52228 1 . VAL 130 130 52228 1 . PHE 131 131 52228 1 . PRO 132 132 52228 1 . LEU 133 133 52228 1 . ALA 134 134 52228 1 . PRO 135 135 52228 1 . SER 136 136 52228 1 . SER 137 137 52228 1 . LYS 138 138 52228 1 . SER 139 139 52228 1 . THR 140 140 52228 1 . SER 141 141 52228 1 . GLY 142 142 52228 1 . GLY 143 143 52228 1 . THR 144 144 52228 1 . ALA 145 145 52228 1 . ALA 146 146 52228 1 . LEU 147 147 52228 1 . GLY 148 148 52228 1 . CYS 149 149 52228 1 . LEU 150 150 52228 1 . VAL 151 151 52228 1 . LYS 152 152 52228 1 . ASP 153 153 52228 1 . TYR 154 154 52228 1 . PHE 155 155 52228 1 . PRO 156 156 52228 1 . GLU 157 157 52228 1 . PRO 158 158 52228 1 . VAL 159 159 52228 1 . THR 160 160 52228 1 . VAL 161 161 52228 1 . SER 162 162 52228 1 . TRP 163 163 52228 1 . ASN 164 164 52228 1 . SER 165 165 52228 1 . GLY 166 166 52228 1 . ALA 167 167 52228 1 . LEU 168 168 52228 1 . THR 169 169 52228 1 . SER 170 170 52228 1 . GLY 171 171 52228 1 . VAL 172 172 52228 1 . HIS 173 173 52228 1 . THR 174 174 52228 1 . PHE 175 175 52228 1 . PRO 176 176 52228 1 . ALA 177 177 52228 1 . VAL 178 178 52228 1 . LEU 179 179 52228 1 . GLN 180 180 52228 1 . SER 181 181 52228 1 . SER 182 182 52228 1 . GLY 183 183 52228 1 . LEU 184 184 52228 1 . TYR 185 185 52228 1 . SER 186 186 52228 1 . LEU 187 187 52228 1 . SER 188 188 52228 1 . SER 189 189 52228 1 . VAL 190 190 52228 1 . VAL 191 191 52228 1 . THR 192 192 52228 1 . VAL 193 193 52228 1 . PRO 194 194 52228 1 . SER 195 195 52228 1 . SER 196 196 52228 1 . SER 197 197 52228 1 . LEU 198 198 52228 1 . GLY 199 199 52228 1 . THR 200 200 52228 1 . GLN 201 201 52228 1 . THR 202 202 52228 1 . TYR 203 203 52228 1 . ILE 204 204 52228 1 . CYS 205 205 52228 1 . ASN 206 206 52228 1 . VAL 207 207 52228 1 . ASN 208 208 52228 1 . HIS 209 209 52228 1 . LYS 210 210 52228 1 . PRO 211 211 52228 1 . SER 212 212 52228 1 . ASN 213 213 52228 1 . THR 214 214 52228 1 . LYS 215 215 52228 1 . VAL 216 216 52228 1 . ASP 217 217 52228 1 . LYS 218 218 52228 1 . LYS 219 219 52228 1 . VAL 220 220 52228 1 . GLU 221 221 52228 1 . PRO 222 222 52228 1 . LYS 223 223 52228 1 . SER 224 224 52228 1 . CYS 225 225 52228 1 . ASP 226 226 52228 1 . LYS 227 227 52228 1 . THR 228 228 52228 1 . HIS 229 229 52228 1 . THR 230 230 52228 1 . ALA 231 231 52228 1 . PRO 232 232 52228 1 . GLY 233 233 52228 1 . GLY 234 234 52228 1 . GLY 235 235 52228 1 . GLY 236 236 52228 1 . SER 237 237 52228 1 . GLY 238 238 52228 1 . GLY 239 239 52228 1 . GLY 240 240 52228 1 . GLY 241 241 52228 1 . SER 242 242 52228 1 . GLY 243 243 52228 1 . GLY 244 244 52228 1 . GLY 245 245 52228 1 . GLY 246 246 52228 1 . SER 247 247 52228 1 . GLY 248 248 52228 1 . GLY 249 249 52228 1 . GLY 250 250 52228 1 . GLY 251 251 52228 1 . SER 252 252 52228 1 . GLY 253 253 52228 1 . GLY 254 254 52228 1 . GLY 255 255 52228 1 . GLY 256 256 52228 1 . SER 257 257 52228 1 . GLY 258 258 52228 1 . GLY 259 259 52228 1 . GLY 260 260 52228 1 . GLY 261 261 52228 1 . SER 262 262 52228 1 . SER 263 263 52228 1 . SER 264 264 52228 1 . GLY 265 265 52228 1 . LEU 266 266 52228 1 . VAL 267 267 52228 1 . PRO 268 268 52228 1 . ARG 269 269 52228 1 . GLY 270 270 52228 1 . SER 271 271 52228 1 . ASP 272 272 52228 1 . ILE 273 273 52228 1 . GLN 274 274 52228 1 . MET 275 275 52228 1 . THR 276 276 52228 1 . GLN 277 277 52228 1 . SER 278 278 52228 1 . PRO 279 279 52228 1 . SER 280 280 52228 1 . SER 281 281 52228 1 . LEU 282 282 52228 1 . SER 283 283 52228 1 . ALA 284 284 52228 1 . SER 285 285 52228 1 . VAL 286 286 52228 1 . GLY 287 287 52228 1 . ASP 288 288 52228 1 . ARG 289 289 52228 1 . VAL 290 290 52228 1 . THR 291 291 52228 1 . ILE 292 292 52228 1 . THR 293 293 52228 1 . CYS 294 294 52228 1 . ARG 295 295 52228 1 . ALA 296 296 52228 1 . SER 297 297 52228 1 . GLN 298 298 52228 1 . ASP 299 299 52228 1 . VAL 300 300 52228 1 . ASN 301 301 52228 1 . THR 302 302 52228 1 . ALA 303 303 52228 1 . VAL 304 304 52228 1 . ALA 305 305 52228 1 . TRP 306 306 52228 1 . TYR 307 307 52228 1 . GLN 308 308 52228 1 . GLN 309 309 52228 1 . LYS 310 310 52228 1 . PRO 311 311 52228 1 . GLY 312 312 52228 1 . LYS 313 313 52228 1 . ALA 314 314 52228 1 . PRO 315 315 52228 1 . LYS 316 316 52228 1 . LEU 317 317 52228 1 . LEU 318 318 52228 1 . ILE 319 319 52228 1 . TYR 320 320 52228 1 . SER 321 321 52228 1 . ALA 322 322 52228 1 . SER 323 323 52228 1 . PHE 324 324 52228 1 . LEU 325 325 52228 1 . TYR 326 326 52228 1 . SER 327 327 52228 1 . GLY 328 328 52228 1 . VAL 329 329 52228 1 . PRO 330 330 52228 1 . SER 331 331 52228 1 . ARG 332 332 52228 1 . PHE 333 333 52228 1 . SER 334 334 52228 1 . GLY 335 335 52228 1 . SER 336 336 52228 1 . ARG 337 337 52228 1 . SER 338 338 52228 1 . GLY 339 339 52228 1 . THR 340 340 52228 1 . ASP 341 341 52228 1 . PHE 342 342 52228 1 . THR 343 343 52228 1 . LEU 344 344 52228 1 . THR 345 345 52228 1 . ILE 346 346 52228 1 . SER 347 347 52228 1 . SER 348 348 52228 1 . LEU 349 349 52228 1 . GLN 350 350 52228 1 . PRO 351 351 52228 1 . GLU 352 352 52228 1 . ASP 353 353 52228 1 . PHE 354 354 52228 1 . ALA 355 355 52228 1 . THR 356 356 52228 1 . TYR 357 357 52228 1 . TYR 358 358 52228 1 . CYS 359 359 52228 1 . GLN 360 360 52228 1 . GLN 361 361 52228 1 . HIS 362 362 52228 1 . TYR 363 363 52228 1 . THR 364 364 52228 1 . THR 365 365 52228 1 . PRO 366 366 52228 1 . PRO 367 367 52228 1 . THR 368 368 52228 1 . PHE 369 369 52228 1 . GLY 370 370 52228 1 . GLN 371 371 52228 1 . GLY 372 372 52228 1 . THR 373 373 52228 1 . LYS 374 374 52228 1 . VAL 375 375 52228 1 . GLU 376 376 52228 1 . ILE 377 377 52228 1 . LYS 378 378 52228 1 . ARG 379 379 52228 1 . THR 380 380 52228 1 . VAL 381 381 52228 1 . ALA 382 382 52228 1 . ALA 383 383 52228 1 . PRO 384 384 52228 1 . SER 385 385 52228 1 . VAL 386 386 52228 1 . PHE 387 387 52228 1 . ILE 388 388 52228 1 . PHE 389 389 52228 1 . PRO 390 390 52228 1 . PRO 391 391 52228 1 . SER 392 392 52228 1 . ASP 393 393 52228 1 . GLU 394 394 52228 1 . GLN 395 395 52228 1 . LEU 396 396 52228 1 . LYS 397 397 52228 1 . SER 398 398 52228 1 . GLY 399 399 52228 1 . THR 400 400 52228 1 . ALA 401 401 52228 1 . SER 402 402 52228 1 . VAL 403 403 52228 1 . VAL 404 404 52228 1 . CYS 405 405 52228 1 . LEU 406 406 52228 1 . LEU 407 407 52228 1 . ASN 408 408 52228 1 . ASN 409 409 52228 1 . PHE 410 410 52228 1 . TYR 411 411 52228 1 . PRO 412 412 52228 1 . ARG 413 413 52228 1 . GLU 414 414 52228 1 . ALA 415 415 52228 1 . LYS 416 416 52228 1 . VAL 417 417 52228 1 . GLN 418 418 52228 1 . TRP 419 419 52228 1 . LYS 420 420 52228 1 . VAL 421 421 52228 1 . ASP 422 422 52228 1 . ASN 423 423 52228 1 . ALA 424 424 52228 1 . LEU 425 425 52228 1 . GLN 426 426 52228 1 . SER 427 427 52228 1 . GLY 428 428 52228 1 . ASN 429 429 52228 1 . SER 430 430 52228 1 . GLN 431 431 52228 1 . GLU 432 432 52228 1 . SER 433 433 52228 1 . VAL 434 434 52228 1 . THR 435 435 52228 1 . GLU 436 436 52228 1 . GLN 437 437 52228 1 . ASP 438 438 52228 1 . SER 439 439 52228 1 . LYS 440 440 52228 1 . ASP 441 441 52228 1 . SER 442 442 52228 1 . THR 443 443 52228 1 . TYR 444 444 52228 1 . SER 445 445 52228 1 . LEU 446 446 52228 1 . SER 447 447 52228 1 . SER 448 448 52228 1 . THR 449 449 52228 1 . LEU 450 450 52228 1 . THR 451 451 52228 1 . LEU 452 452 52228 1 . SER 453 453 52228 1 . LYS 454 454 52228 1 . ALA 455 455 52228 1 . ASP 456 456 52228 1 . TYR 457 457 52228 1 . GLU 458 458 52228 1 . LYS 459 459 52228 1 . HIS 460 460 52228 1 . LYS 461 461 52228 1 . VAL 462 462 52228 1 . TYR 463 463 52228 1 . ALA 464 464 52228 1 . CYS 465 465 52228 1 . GLU 466 466 52228 1 . VAL 467 467 52228 1 . THR 468 468 52228 1 . HIS 469 469 52228 1 . GLN 470 470 52228 1 . GLY 471 471 52228 1 . LEU 472 472 52228 1 . SER 473 473 52228 1 . SER 474 474 52228 1 . PRO 475 475 52228 1 . VAL 476 476 52228 1 . THR 477 477 52228 1 . LYS 478 478 52228 1 . SER 479 479 52228 1 . PHE 480 480 52228 1 . ASN 481 481 52228 1 . ARG 482 482 52228 1 . GLY 483 483 52228 1 . GLU 484 484 52228 1 . CYS 485 485 52228 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52228 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52228 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 52228 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15 . . . 52228 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52228 _Sample.ID 1 _Sample.Name 2H-13C-15N-trastuzumab-scFab _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Na Acetate-d3, pH 5.0' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 trastuzumab-scFab '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $entity_1 . . 395 . . uM . . . . 52228 1 2 'Na Acetate-d3' [U-2H] . . . . . . 20 . . mM . . . . 52228 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52228 _Sample.ID 2 _Sample.Name 2H-13C-15N-ILV-trastuzumab-scFab _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Na Acetate-d3, pH 5.0' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 trastuzumab-scFab '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 464 . . uM . . . . 52228 2 2 'Na Acetate-d3' [U-2H] . . . . . . 20 . . mM . . . . 52228 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52228 _Sample.ID 3 _Sample.Name 1H-13C(10%)-15N-trastuzumab-scFab _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Na Acetate-d3, pH 5.0' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 trastuzumab-scFab '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 236 . . uM . . . . 52228 3 2 'Na Acetate-d3' [U-2H] . . . . . . 20 . . mM . . . . 52228 3 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 52228 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 52228 1 temperature 313 . K 52228 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52228 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5.7 _Software.DOI . _Software.Details '700 MHz Spectrometer' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52228 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52228 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0-b27 _Software.DOI . _Software.Details standalone loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52228 2 'data analysis' . 52228 2 'peak picking' . 52228 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52228 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.8 _Software.DOI . _Software.Details '600 MHz Spectrometer' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52228 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52228 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 11.5 _Software.DOI . _Software.Details 'Within nmrbox' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52228 4 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 52228 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52228 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 52228 _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 '3D HNCO' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 1 2 '3D HN(CA)CO' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 1 3 '3D HNCA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 1 4 '3D HN(CO)CA' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 1 5 '3D HNCACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 1 6 '3D HN(CO)CACB' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 1 7 '3D CCH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52228 1 8 '3D HCCH-TOCSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52228 1 9 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52228 1 10 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52228 1 11 '2D 1H-13C HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52228 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 52228 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Trastuzumab_Ref _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 na indirect 0.251449530 . . . . . 52228 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52228 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52228 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 52228 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Trastuzumab_Assign _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 '3D HNCO' . . . 52228 1 2 '3D HN(CA)CO' . . . 52228 1 3 '3D HNCA' . . . 52228 1 4 '3D HN(CO)CA' . . . 52228 1 5 '3D HNCACB' . . . 52228 1 6 '3D HN(CO)CACB' . . . 52228 1 7 '3D CCH-TOCSY' . . . 52228 1 8 '3D HCCH-TOCSY' . . . 52228 1 9 '2D 1H-15N TROSY' . . . 52228 1 10 '2D 1H-13C HSQC' . . . 52228 1 11 '2D 1H-13C HSQC' . . . 52228 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 . . 52228 1 2 $software_2 . . 52228 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 SER C C 13 174.0547 0.0000 . 1 . . 760416 . . 2 SER C . 52228 1 2 . 1 . 1 2 2 SER CA C 13 57.8989 0.0000 . 1 . . 760424 . . 2 SER CA . 52228 1 3 . 1 . 1 2 2 SER CB C 13 63.2370 0.0000 . 1 . . 535453 . . 2 SER CB . 52228 1 4 . 1 . 1 3 3 GLU H H 1 8.5451 0.0000 . 1 . . 241017 . . 3 GLU H . 52228 1 5 . 1 . 1 3 3 GLU C C 13 175.8632 0.0000 . 1 . . 548442 . . 3 GLU C . 52228 1 6 . 1 . 1 3 3 GLU CA C 13 56.1878 0.0000 . 1 . . 548444 . . 3 GLU CA . 52228 1 7 . 1 . 1 3 3 GLU CB C 13 29.2552 0.0000 . 1 . . 540480 . . 3 GLU CB . 52228 1 8 . 1 . 1 3 3 GLU N N 15 122.9017 0.0000 . 1 . . 241019 . . 3 GLU N . 52228 1 9 . 1 . 1 4 4 VAL H H 1 7.7743 0.0000 . 1 . . 247176 . . 4 VAL H . 52228 1 10 . 1 . 1 4 4 VAL HG11 H 1 0.1110 0.0000 . 2 . . 455094 . . 4 VAL HG11 . 52228 1 11 . 1 . 1 4 4 VAL HG12 H 1 0.1110 0.0000 . 2 . . 455094 . . 4 VAL HG11 . 52228 1 12 . 1 . 1 4 4 VAL HG13 H 1 0.1110 0.0000 . 2 . . 455094 . . 4 VAL HG11 . 52228 1 13 . 1 . 1 4 4 VAL HG21 H 1 0.5670 0.0000 . 2 . . 454890 . . 4 VAL HG21 . 52228 1 14 . 1 . 1 4 4 VAL HG22 H 1 0.5670 0.0000 . 2 . . 454890 . . 4 VAL HG21 . 52228 1 15 . 1 . 1 4 4 VAL HG23 H 1 0.5670 0.0000 . 2 . . 454890 . . 4 VAL HG21 . 52228 1 16 . 1 . 1 4 4 VAL C C 13 175.4012 0.0000 . 1 . . 538972 . . 4 VAL C . 52228 1 17 . 1 . 1 4 4 VAL CA C 13 61.9313 0.0000 . 1 . . 538978 . . 4 VAL CA . 52228 1 18 . 1 . 1 4 4 VAL CB C 13 31.1287 0.0000 . 1 . . 538980 . . 4 VAL CB . 52228 1 19 . 1 . 1 4 4 VAL CG1 C 13 21.2890 0.0000 . 2 . . 453690 . . 4 VAL CG1 . 52228 1 20 . 1 . 1 4 4 VAL CG2 C 13 21.2090 0.0000 . 2 . . 453690 . . 4 VAL CG2 . 52228 1 21 . 1 . 1 4 4 VAL N N 15 123.0884 0.0000 . 1 . . 247178 . . 4 VAL N . 52228 1 22 . 1 . 1 5 5 GLN H H 1 8.3162 0.0000 . 1 . . 247350 . . 5 GLN H . 52228 1 23 . 1 . 1 5 5 GLN C C 13 173.8650 0.0000 . 1 . . 535379 . . 5 GLN C . 52228 1 24 . 1 . 1 5 5 GLN CA C 13 54.8800 0.0000 . 1 . . 535395 . . 5 GLN CA . 52228 1 25 . 1 . 1 5 5 GLN CB C 13 32.4238 0.0000 . 1 . . 535393 . . 5 GLN CB . 52228 1 26 . 1 . 1 5 5 GLN N N 15 122.5678 0.0000 . 1 . . 247352 . . 5 GLN N . 52228 1 27 . 1 . 1 6 6 LEU H H 1 8.6700 0.0000 . 1 . . . . . 6 LEU H . 52228 1 28 . 1 . 1 6 6 LEU HD11 H 1 0.8390 0.0000 . 2 . . 840618 . . 6 LEU HD11 . 52228 1 29 . 1 . 1 6 6 LEU HD12 H 1 0.8390 0.0000 . 2 . . 840618 . . 6 LEU HD11 . 52228 1 30 . 1 . 1 6 6 LEU HD13 H 1 0.8390 0.0000 . 2 . . 840618 . . 6 LEU HD11 . 52228 1 31 . 1 . 1 6 6 LEU HD21 H 1 0.9320 0.0000 . 2 . . . . . 6 LEU HD21 . 52228 1 32 . 1 . 1 6 6 LEU HD22 H 1 0.9320 0.0000 . 2 . . . . . 6 LEU HD21 . 52228 1 33 . 1 . 1 6 6 LEU HD23 H 1 0.9320 0.0000 . 2 . . . . . 6 LEU HD21 . 52228 1 34 . 1 . 1 6 6 LEU C C 13 176.2591 0.0000 . 1 . . 542584 . . 6 LEU C . 52228 1 35 . 1 . 1 6 6 LEU CA C 13 54.8449 0.0000 . 1 . . 761630 . . 6 LEU CA . 52228 1 36 . 1 . 1 6 6 LEU CB C 13 41.5584 0.0000 . 1 . . 761634 . . 6 LEU CB . 52228 1 37 . 1 . 1 6 6 LEU CD1 C 13 24.7570 0.0000 . 2 . . 453444 . . 6 LEU CD1 . 52228 1 38 . 1 . 1 6 6 LEU CD2 C 13 23.5680 0.0000 . 2 . . 453360 . . 6 LEU CD2 . 52228 1 39 . 1 . 1 6 6 LEU N N 15 122.2500 0.0000 . 1 . . . . . 6 LEU N . 52228 1 40 . 1 . 1 7 7 VAL H H 1 7.9868 0.0000 . 1 . . 238782 . . 7 VAL H . 52228 1 41 . 1 . 1 7 7 VAL HG11 H 1 0.8690 0.0000 . 2 . . 840618 . . 7 VAL HG11 . 52228 1 42 . 1 . 1 7 7 VAL HG12 H 1 0.8690 0.0000 . 2 . . 840618 . . 7 VAL HG11 . 52228 1 43 . 1 . 1 7 7 VAL HG13 H 1 0.8690 0.0000 . 2 . . 840618 . . 7 VAL HG11 . 52228 1 44 . 1 . 1 7 7 VAL HG21 H 1 0.9100 0.0000 . 2 . . 840618 . . 7 VAL HG21 . 52228 1 45 . 1 . 1 7 7 VAL HG22 H 1 0.9100 0.0000 . 2 . . 840618 . . 7 VAL HG21 . 52228 1 46 . 1 . 1 7 7 VAL HG23 H 1 0.9100 0.0000 . 2 . . 840618 . . 7 VAL HG21 . 52228 1 47 . 1 . 1 7 7 VAL C C 13 175.8382 0.0000 . 1 . . 860212 . . 7 VAL C . 52228 1 48 . 1 . 1 7 7 VAL CA C 13 61.9218 0.0000 . 1 . . 860214 . . 7 VAL CA . 52228 1 49 . 1 . 1 7 7 VAL CB C 13 32.0312 0.0000 . 1 . . 860216 . . 7 VAL CB . 52228 1 50 . 1 . 1 7 7 VAL CG1 C 13 20.4860 0.0000 . 2 . . 453765 . . 7 VAL CG1 . 52228 1 51 . 1 . 1 7 7 VAL CG2 C 13 20.8110 0.0000 . 2 . . 453765 . . 7 VAL CG2 . 52228 1 52 . 1 . 1 7 7 VAL N N 15 122.0598 0.0000 . 1 . . 238784 . . 7 VAL N . 52228 1 53 . 1 . 1 8 8 GLU H H 1 8.1644 0.0000 . 1 . . 246912 . . 8 GLU H . 52228 1 54 . 1 . 1 8 8 GLU C C 13 176.0701 0.0000 . 1 . . 860220 . . 8 GLU C . 52228 1 55 . 1 . 1 8 8 GLU CA C 13 55.2443 0.0000 . 1 . . 860228 . . 8 GLU CA . 52228 1 56 . 1 . 1 8 8 GLU CB C 13 32.4382 0.0000 . 1 . . 860224 . . 8 GLU CB . 52228 1 57 . 1 . 1 8 8 GLU N N 15 124.8732 0.0000 . 1 . . 246914 . . 8 GLU N . 52228 1 58 . 1 . 1 9 9 SER H H 1 8.4877 0.0000 . 1 . . 239577 . . 9 SER H . 52228 1 59 . 1 . 1 9 9 SER C C 13 173.5098 0.0000 . 1 . . 277146 . . 9 SER C . 52228 1 60 . 1 . 1 9 9 SER CA C 13 57.4040 0.0000 . 1 . . 340823 . . 9 SER CA . 52228 1 61 . 1 . 1 9 9 SER CB C 13 64.8734 0.0000 . 1 . . 340818 . . 9 SER CB . 52228 1 62 . 1 . 1 9 9 SER N N 15 114.0087 0.0000 . 1 . . 239579 . . 9 SER N . 52228 1 63 . 1 . 1 10 10 GLY H H 1 8.5165 0.0000 . 1 . . 252636 . . 10 GLY H . 52228 1 64 . 1 . 1 10 10 GLY C C 13 174.1687 0.0000 . 1 . . 277145 . . 10 GLY C . 52228 1 65 . 1 . 1 10 10 GLY CA C 13 44.4629 0.0000 . 1 . . 277143 . . 10 GLY CA . 52228 1 66 . 1 . 1 10 10 GLY N N 15 107.7686 0.0000 . 1 . . 252638 . . 10 GLY N . 52228 1 67 . 1 . 1 11 11 GLY H H 1 7.6829 0.0000 . 1 . . 239970 . . 11 GLY H . 52228 1 68 . 1 . 1 11 11 GLY C C 13 172.8529 0.0000 . 1 . . 858686 . . 11 GLY C . 52228 1 69 . 1 . 1 11 11 GLY CA C 13 44.5683 0.0000 . 1 . . 762548 . . 11 GLY CA . 52228 1 70 . 1 . 1 11 11 GLY N N 15 105.9217 0.0000 . 1 . . 239972 . . 11 GLY N . 52228 1 71 . 1 . 1 12 12 GLY H H 1 7.4168 0.0000 . 1 . . 258903 . . 12 GLY H . 52228 1 72 . 1 . 1 12 12 GLY C C 13 173.7854 0.0000 . 1 . . 858639 . . 12 GLY C . 52228 1 73 . 1 . 1 12 12 GLY CA C 13 44.8730 0.0000 . 1 . . 858649 . . 12 GLY CA . 52228 1 74 . 1 . 1 12 12 GLY N N 15 107.3434 0.0000 . 1 . . 258905 . . 12 GLY N . 52228 1 75 . 1 . 1 13 13 LEU H H 1 8.0153 0.0000 . 1 . . 247563 . . 13 LEU H . 52228 1 76 . 1 . 1 13 13 LEU HD11 H 1 0.9030 0.0000 . 2 . . 762756 . . 13 LEU HD11 . 52228 1 77 . 1 . 1 13 13 LEU HD12 H 1 0.9030 0.0000 . 2 . . 762756 . . 13 LEU HD11 . 52228 1 78 . 1 . 1 13 13 LEU HD13 H 1 0.9030 0.0000 . 2 . . 762756 . . 13 LEU HD11 . 52228 1 79 . 1 . 1 13 13 LEU HD21 H 1 0.8760 0.0000 . 2 . . 762756 . . 13 LEU HD21 . 52228 1 80 . 1 . 1 13 13 LEU HD22 H 1 0.8760 0.0000 . 2 . . 762756 . . 13 LEU HD21 . 52228 1 81 . 1 . 1 13 13 LEU HD23 H 1 0.8760 0.0000 . 2 . . 762756 . . 13 LEU HD21 . 52228 1 82 . 1 . 1 13 13 LEU C C 13 177.0674 0.0000 . 1 . . 858130 . . 13 LEU C . 52228 1 83 . 1 . 1 13 13 LEU CA C 13 54.8247 0.0000 . 1 . . 324816 . . 13 LEU CA . 52228 1 84 . 1 . 1 13 13 LEU CB C 13 41.4842 0.0000 . 1 . . 858142 . . 13 LEU CB . 52228 1 85 . 1 . 1 13 13 LEU CD1 C 13 24.8730 0.0000 . 2 . . 838482 . . 13 LEU CD1 . 52228 1 86 . 1 . 1 13 13 LEU CD2 C 13 23.5480 0.0000 . 2 . . 453438 . . 13 LEU CD2 . 52228 1 87 . 1 . 1 13 13 LEU N N 15 121.7884 0.0000 . 1 . . 247565 . . 13 LEU N . 52228 1 88 . 1 . 1 14 14 VAL H H 1 8.0859 0.0000 . 1 . . 247209 . . 14 VAL H . 52228 1 89 . 1 . 1 14 14 VAL HG11 H 1 0.9560 0.0000 . 2 . . . . . 14 VAL HG11 . 52228 1 90 . 1 . 1 14 14 VAL HG12 H 1 0.9560 0.0000 . 2 . . . . . 14 VAL HG11 . 52228 1 91 . 1 . 1 14 14 VAL HG13 H 1 0.9560 0.0000 . 2 . . . . . 14 VAL HG11 . 52228 1 92 . 1 . 1 14 14 VAL HG21 H 1 0.8880 0.0000 . 2 . . . . . 14 VAL HG21 . 52228 1 93 . 1 . 1 14 14 VAL HG22 H 1 0.8880 0.0000 . 2 . . . . . 14 VAL HG21 . 52228 1 94 . 1 . 1 14 14 VAL HG23 H 1 0.8880 0.0000 . 2 . . . . . 14 VAL HG21 . 52228 1 95 . 1 . 1 14 14 VAL C C 13 176.0430 0.0000 . 1 . . 858716 . . 14 VAL C . 52228 1 96 . 1 . 1 14 14 VAL CA C 13 59.4297 0.0000 . 1 . . 270218 . . 14 VAL CA . 52228 1 97 . 1 . 1 14 14 VAL CB C 13 31.9257 0.0000 . 1 . . 858720 . . 14 VAL CB . 52228 1 98 . 1 . 1 14 14 VAL CG1 C 13 20.5680 0.0000 . 2 . . . . . 14 VAL CG1 . 52228 1 99 . 1 . 1 14 14 VAL CG2 C 13 19.8430 0.0000 . 2 . . . . . 14 VAL CG2 . 52228 1 100 . 1 . 1 14 14 VAL N N 15 123.1232 0.0000 . 1 . . 247211 . . 14 VAL N . 52228 1 101 . 1 . 1 16 16 PRO CA C 13 62.9996 0.0000 . 1 . . 523686 . . 16 PRO CA . 52228 1 102 . 1 . 1 17 17 GLY C C 13 172.1817 0.0000 . 1 . . 762555 . . 17 GLY C . 52228 1 103 . 1 . 1 18 18 GLY H H 1 8.1700 0.0000 . 1 . . 258636 . . 18 GLY H . 52228 1 104 . 1 . 1 18 18 GLY C C 13 169.9904 0.0000 . 1 . . 762501 . . 18 GLY C . 52228 1 105 . 1 . 1 18 18 GLY N N 15 109.3320 0.0000 . 1 . . 258638 . . 18 GLY N . 52228 1 106 . 1 . 1 19 19 SER H H 1 8.3723 0.0000 . 1 . . 258291 . . 19 SER H . 52228 1 107 . 1 . 1 19 19 SER C C 13 174.8490 0.0000 . 1 . . 762496 . . 19 SER C . 52228 1 108 . 1 . 1 19 19 SER CA C 13 52.1587 0.0000 . 1 . . 762498 . . 19 SER CA . 52228 1 109 . 1 . 1 19 19 SER CB C 13 63.3046 0.0000 . 1 . . 762503 . . 19 SER CB . 52228 1 110 . 1 . 1 19 19 SER N N 15 111.2518 0.0000 . 1 . . 258293 . . 19 SER N . 52228 1 111 . 1 . 1 20 20 LEU H H 1 8.3723 0.0000 . 1 . . 258291 . . 20 LEU H . 52228 1 112 . 1 . 1 20 20 LEU C C 13 174.8490 0.0000 . 1 . . 762496 . . 20 LEU C . 52228 1 113 . 1 . 1 20 20 LEU CA C 13 52.1587 0.0000 . 1 . . 762498 . . 20 LEU CA . 52228 1 114 . 1 . 1 20 20 LEU N N 15 111.2518 0.0000 . 1 . . 258293 . . 20 LEU N . 52228 1 115 . 1 . 1 21 21 ARG C C 13 175.2487 0.0000 . 1 . . . . . 21 ARG C . 52228 1 116 . 1 . 1 21 21 ARG CA C 13 54.2255 0.0000 . 1 . . 555955 . . 21 ARG CA . 52228 1 117 . 1 . 1 21 21 ARG CB C 13 31.7867 0.0000 . 1 . . . . . 21 ARG CB . 52228 1 118 . 1 . 1 22 22 LEU H H 1 8.7533 0.0000 . 1 . . 238134 . . 22 LEU H . 52228 1 119 . 1 . 1 22 22 LEU HD11 H 1 0.0800 0.0000 . 2 . . 455106 . . 22 LEU HD11 . 52228 1 120 . 1 . 1 22 22 LEU HD12 H 1 0.0800 0.0000 . 2 . . 455106 . . 22 LEU HD11 . 52228 1 121 . 1 . 1 22 22 LEU HD13 H 1 0.0800 0.0000 . 2 . . 455106 . . 22 LEU HD11 . 52228 1 122 . 1 . 1 22 22 LEU HD21 H 1 0.2190 0.0000 . 2 . . 454995 . . 22 LEU HD21 . 52228 1 123 . 1 . 1 22 22 LEU HD22 H 1 0.2190 0.0000 . 2 . . 454995 . . 22 LEU HD21 . 52228 1 124 . 1 . 1 22 22 LEU HD23 H 1 0.2190 0.0000 . 2 . . 454995 . . 22 LEU HD21 . 52228 1 125 . 1 . 1 22 22 LEU C C 13 176.9144 0.0000 . 1 . . . . . 22 LEU C . 52228 1 126 . 1 . 1 22 22 LEU CA C 13 52.5769 0.0000 . 1 . . . . . 22 LEU CA . 52228 1 127 . 1 . 1 22 22 LEU CB C 13 43.0281 0.0000 . 1 . . . . . 22 LEU CB . 52228 1 128 . 1 . 1 22 22 LEU CD1 C 13 21.2470 0.0000 . 2 . . 453711 . . 22 LEU CD1 . 52228 1 129 . 1 . 1 22 22 LEU CD2 C 13 26.2470 0.0000 . 2 . . 453273 . . 22 LEU CD2 . 52228 1 130 . 1 . 1 22 22 LEU N N 15 126.5271 0.0000 . 1 . . 238136 . . 22 LEU N . 52228 1 131 . 1 . 1 23 23 SER H H 1 8.8571 0.0000 . 1 . . 257583 . . 23 SER H . 52228 1 132 . 1 . 1 23 23 SER CA C 13 56.7369 0.0000 . 1 . . 468167 . . 23 SER CA . 52228 1 133 . 1 . 1 23 23 SER CB C 13 65.8749 0.0000 . 1 . . 490364 . . 23 SER CB . 52228 1 134 . 1 . 1 23 23 SER N N 15 114.3466 0.0000 . 1 . . 257585 . . 23 SER N . 52228 1 135 . 1 . 1 24 24 CYS H H 1 9.6030 0.0000 . 1 . . . . . 24 CYS H . 52228 1 136 . 1 . 1 24 24 CYS N N 15 127.4030 0.0000 . 1 . . . . . 24 CYS N . 52228 1 137 . 1 . 1 25 25 ALA H H 1 8.4300 0.0000 . 1 . . . . . 25 ALA H . 52228 1 138 . 1 . 1 25 25 ALA C C 13 176.4778 0.0000 . 1 . . 534105 . . 25 ALA C . 52228 1 139 . 1 . 1 25 25 ALA CA C 13 51.3377 0.0000 . 1 . . 534107 . . 25 ALA CA . 52228 1 140 . 1 . 1 25 25 ALA CB C 13 19.4185 0.0000 . 1 . . 760426 . . 25 ALA CB . 52228 1 141 . 1 . 1 25 25 ALA N N 15 126.4900 0.0000 . 1 . . . . . 25 ALA N . 52228 1 142 . 1 . 1 26 26 ALA H H 1 8.2436 0.0000 . 1 . . 253470 . . 26 ALA H . 52228 1 143 . 1 . 1 26 26 ALA C C 13 177.0871 0.0000 . 1 . . 534104 . . 26 ALA C . 52228 1 144 . 1 . 1 26 26 ALA CA C 13 50.6057 0.0000 . 1 . . 534130 . . 26 ALA CA . 52228 1 145 . 1 . 1 26 26 ALA CB C 13 21.3354 0.0000 . 1 . . 534112 . . 26 ALA CB . 52228 1 146 . 1 . 1 26 26 ALA N N 15 126.8248 0.0000 . 1 . . 253472 . . 26 ALA N . 52228 1 147 . 1 . 1 27 27 SER H H 1 8.8520 0.0000 . 1 . . 358915 . . 27 SER H . 52228 1 148 . 1 . 1 27 27 SER C C 13 173.8708 0.0000 . 1 . . 473167 . . 27 SER C . 52228 1 149 . 1 . 1 27 27 SER CA C 13 57.1605 0.0000 . 1 . . 473175 . . 27 SER CA . 52228 1 150 . 1 . 1 27 27 SER CB C 13 64.5571 0.0000 . 1 . . 473179 . . 27 SER CB . 52228 1 151 . 1 . 1 27 27 SER N N 15 115.9277 0.0000 . 1 . . 358917 . . 27 SER N . 52228 1 152 . 1 . 1 28 28 GLY H H 1 8.7364 0.0000 . 1 . . 239751 . . 28 GLY H . 52228 1 153 . 1 . 1 28 28 GLY C C 13 172.7086 0.0000 . 1 . . 484803 . . 28 GLY C . 52228 1 154 . 1 . 1 28 28 GLY CA C 13 45.2720 0.0000 . 1 . . 472882 . . 28 GLY CA . 52228 1 155 . 1 . 1 28 28 GLY N N 15 110.9694 0.0000 . 1 . . 239753 . . 28 GLY N . 52228 1 156 . 1 . 1 29 29 PHE H H 1 7.4389 0.0000 . 1 . . 257535 . . 29 PHE H . 52228 1 157 . 1 . 1 29 29 PHE C C 13 171.1381 0.0000 . 1 . . 472898 . . 29 PHE C . 52228 1 158 . 1 . 1 29 29 PHE CA C 13 54.5025 0.0000 . 1 . . 472903 . . 29 PHE CA . 52228 1 159 . 1 . 1 29 29 PHE CB C 13 38.2694 0.0000 . 1 . . 472905 . . 29 PHE CB . 52228 1 160 . 1 . 1 29 29 PHE N N 15 113.8535 0.0000 . 1 . . 257537 . . 29 PHE N . 52228 1 161 . 1 . 1 30 30 ASN H H 1 9.0903 0.0000 . 1 . . 238971 . . 30 ASN H . 52228 1 162 . 1 . 1 30 30 ASN C C 13 176.3913 0.0000 . 1 . . 272424 . . 30 ASN C . 52228 1 163 . 1 . 1 30 30 ASN CA C 13 51.5111 0.0000 . 1 . . 272426 . . 30 ASN CA . 52228 1 164 . 1 . 1 30 30 ASN N N 15 119.7615 0.0000 . 1 . . 238973 . . 30 ASN N . 52228 1 165 . 1 . 1 31 31 ILE H H 1 8.8251 0.0000 . 1 . . 238878 . . 31 ILE H . 52228 1 166 . 1 . 1 31 31 ILE HD11 H 1 0.4460 0.0000 . 1 . . 524315 . . 31 ILE HD11 . 52228 1 167 . 1 . 1 31 31 ILE HD12 H 1 0.4460 0.0000 . 1 . . 524315 . . 31 ILE HD11 . 52228 1 168 . 1 . 1 31 31 ILE HD13 H 1 0.4460 0.0000 . 1 . . 524315 . . 31 ILE HD11 . 52228 1 169 . 1 . 1 31 31 ILE C C 13 176.1100 0.0000 . 1 . . 328734 . . 31 ILE C . 52228 1 170 . 1 . 1 31 31 ILE CA C 13 63.7644 0.0000 . 1 . . 328729 . . 31 ILE CA . 52228 1 171 . 1 . 1 31 31 ILE CB C 13 36.6814 0.0000 . 1 . . 328731 . . 31 ILE CB . 52228 1 172 . 1 . 1 31 31 ILE CD1 C 13 14.0250 0.0000 . 1 . . 454137 . . 31 ILE CD1 . 52228 1 173 . 1 . 1 31 31 ILE N N 15 120.6136 0.0000 . 1 . . 238880 . . 31 ILE N . 52228 1 174 . 1 . 1 32 32 LYS H H 1 8.1205 0.0000 . 1 . . 239259 . . 32 LYS H . 52228 1 175 . 1 . 1 32 32 LYS C C 13 176.0913 0.0000 . 1 . . 535852 . . 32 LYS C . 52228 1 176 . 1 . 1 32 32 LYS CA C 13 58.5987 0.0000 . 1 . . 535857 . . 32 LYS CA . 52228 1 177 . 1 . 1 32 32 LYS CB C 13 31.1292 0.0000 . 1 . . 535860 . . 32 LYS CB . 52228 1 178 . 1 . 1 32 32 LYS N N 15 117.1633 0.0000 . 1 . . 239261 . . 32 LYS N . 52228 1 179 . 1 . 1 33 33 ASP H H 1 7.6638 0.0000 . 1 . . 256821 . . 33 ASP H . 52228 1 180 . 1 . 1 33 33 ASP C C 13 175.7317 0.0000 . 1 . . 535955 . . 33 ASP C . 52228 1 181 . 1 . 1 33 33 ASP CA C 13 54.4133 0.0000 . 1 . . 535954 . . 33 ASP CA . 52228 1 182 . 1 . 1 33 33 ASP CB C 13 40.7568 0.0000 . 1 . . 536101 . . 33 ASP CB . 52228 1 183 . 1 . 1 33 33 ASP N N 15 116.7929 0.0000 . 1 . . 256823 . . 33 ASP N . 52228 1 184 . 1 . 1 34 34 THR H H 1 7.6393 0.0000 . 1 . . 239688 . . 34 THR H . 52228 1 185 . 1 . 1 34 34 THR C C 13 171.9235 0.0000 . 1 . . 548290 . . 34 THR C . 52228 1 186 . 1 . 1 34 34 THR CA C 13 59.3279 0.0000 . 1 . . 536017 . . 34 THR CA . 52228 1 187 . 1 . 1 34 34 THR CB C 13 70.6923 0.0000 . 1 . . 548302 . . 34 THR CB . 52228 1 188 . 1 . 1 34 34 THR N N 15 113.0824 0.0000 . 1 . . 239690 . . 34 THR N . 52228 1 189 . 1 . 1 35 35 TYR H H 1 8.5720 0.0000 . 1 . . 251589 . . 35 TYR H . 52228 1 190 . 1 . 1 35 35 TYR C C 13 175.5011 0.0000 . 1 . . 760487 . . 35 TYR C . 52228 1 191 . 1 . 1 35 35 TYR CA C 13 57.2393 0.0000 . 1 . . 555510 . . 35 TYR CA . 52228 1 192 . 1 . 1 35 35 TYR N N 15 115.7697 0.0000 . 1 . . 251591 . . 35 TYR N . 52228 1 193 . 1 . 1 36 36 ILE H H 1 7.9651 0.0000 . 1 . . 250530 . . 36 ILE H . 52228 1 194 . 1 . 1 36 36 ILE HD11 H 1 0.2130 0.0000 . 1 . . . . . 36 ILE HD11 . 52228 1 195 . 1 . 1 36 36 ILE HD12 H 1 0.2130 0.0000 . 1 . . . . . 36 ILE HD11 . 52228 1 196 . 1 . 1 36 36 ILE HD13 H 1 0.2130 0.0000 . 1 . . . . . 36 ILE HD11 . 52228 1 197 . 1 . 1 36 36 ILE CA C 13 54.6229 0.0000 . 1 . . 269593 . . 36 ILE CA . 52228 1 198 . 1 . 1 36 36 ILE CB C 13 40.0705 0.0000 . 1 . . 269594 . . 36 ILE CB . 52228 1 199 . 1 . 1 36 36 ILE CD1 C 13 12.4290 0.0000 . 1 . . . . . 36 ILE CD1 . 52228 1 200 . 1 . 1 36 36 ILE N N 15 124.3830 0.0000 . 1 . . 250532 . . 36 ILE N . 52228 1 201 . 1 . 1 37 37 HIS C C 13 175.7140 0.0000 . 1 . . . . . 37 HIS C . 52228 1 202 . 1 . 1 37 37 HIS CA C 13 61.4274 0.0000 . 1 . . . . . 37 HIS CA . 52228 1 203 . 1 . 1 39 39 VAL H H 1 7.4190 0.0000 . 1 . . . . . 39 VAL H . 52228 1 204 . 1 . 1 40 40 ARG C C 13 173.4553 0.0000 . 1 . . 524361 . . 40 ARG C . 52228 1 205 . 1 . 1 40 40 ARG CA C 13 52.3304 0.0000 . 1 . . 524365 . . 40 ARG CA . 52228 1 206 . 1 . 1 40 40 ARG CB C 13 32.9854 0.0000 . 1 . . 491932 . . 40 ARG CB . 52228 1 207 . 1 . 1 41 41 GLN H H 1 8.9937 0.0000 . 1 . . 255225 . . 41 GLN H . 52228 1 208 . 1 . 1 41 41 GLN C C 13 175.2898 0.0000 . 1 . . 522674 . . 41 GLN C . 52228 1 209 . 1 . 1 41 41 GLN CA C 13 54.0564 0.0000 . 1 . . 522684 . . 41 GLN CA . 52228 1 210 . 1 . 1 41 41 GLN CB C 13 31.7748 0.0000 . 1 . . . . . 41 GLN CB . 52228 1 211 . 1 . 1 41 41 GLN N N 15 121.8467 0.0000 . 1 . . 255227 . . 41 GLN N . 52228 1 212 . 1 . 1 42 42 ALA H H 1 9.4060 0.0000 . 1 . . 491715 . . 42 ALA H . 52228 1 213 . 1 . 1 42 42 ALA C C 13 174.6407 0.0000 . 1 . . 491861 . . 42 ALA C . 52228 1 214 . 1 . 1 42 42 ALA CA C 13 50.3542 0.0000 . 1 . . 491859 . . 42 ALA CA . 52228 1 215 . 1 . 1 42 42 ALA CB C 13 17.1077 0.0000 . 1 . . 491856 . . 42 ALA CB . 52228 1 216 . 1 . 1 42 42 ALA N N 15 135.9431 0.0000 . 1 . . 491717 . . 42 ALA N . 52228 1 217 . 1 . 1 43 43 PRO C C 13 178.4520 0.0000 . 1 . . 474492 . . 43 PRO C . 52228 1 218 . 1 . 1 43 43 PRO CA C 13 63.8243 0.0000 . 1 . . 474495 . . 43 PRO CA . 52228 1 219 . 1 . 1 43 43 PRO CB C 13 30.6165 0.0000 . 1 . . 474495 . . 43 PRO CB . 52228 1 220 . 1 . 1 44 44 GLY H H 1 8.8156 0.0000 . 1 . . 474485 . . 44 GLY H . 52228 1 221 . 1 . 1 44 44 GLY C C 13 174.6548 0.0000 . 1 . . 483178 . . 44 GLY C . 52228 1 222 . 1 . 1 44 44 GLY CA C 13 45.5557 0.0000 . 1 . . 343059 . . 44 GLY CA . 52228 1 223 . 1 . 1 44 44 GLY N N 15 113.1357 0.0000 . 1 . . 474487 . . 44 GLY N . 52228 1 224 . 1 . 1 45 45 LYS H H 1 8.2112 0.0000 . 1 . . 255708 . . 45 LYS H . 52228 1 225 . 1 . 1 45 45 LYS C C 13 176.4345 0.0000 . 1 . . 550064 . . 45 LYS C . 52228 1 226 . 1 . 1 45 45 LYS CA C 13 54.2112 0.0000 . 1 . . 550072 . . 45 LYS CA . 52228 1 227 . 1 . 1 45 45 LYS CB C 13 33.3149 0.0000 . 1 . . 550074 . . 45 LYS CB . 52228 1 228 . 1 . 1 45 45 LYS N N 15 120.5010 0.0000 . 1 . . 255710 . . 45 LYS N . 52228 1 229 . 1 . 1 46 46 GLY H H 1 8.0662 0.0000 . 1 . . 258954 . . 46 GLY H . 52228 1 230 . 1 . 1 46 46 GLY C C 13 173.2412 0.0000 . 1 . . 550122 . . 46 GLY C . 52228 1 231 . 1 . 1 46 46 GLY CA C 13 44.1754 0.0000 . 1 . . 550086 . . 46 GLY CA . 52228 1 232 . 1 . 1 46 46 GLY N N 15 106.5116 0.0000 . 1 . . 258956 . . 46 GLY N . 52228 1 233 . 1 . 1 47 47 LEU H H 1 7.0672 0.0000 . 1 . . 241755 . . 47 LEU H . 52228 1 234 . 1 . 1 47 47 LEU HD11 H 1 -0.7300 0.0000 . 2 . . 455202 . . 47 LEU HD11 . 52228 1 235 . 1 . 1 47 47 LEU HD12 H 1 -0.7300 0.0000 . 2 . . 455202 . . 47 LEU HD11 . 52228 1 236 . 1 . 1 47 47 LEU HD13 H 1 -0.7300 0.0000 . 2 . . 455202 . . 47 LEU HD11 . 52228 1 237 . 1 . 1 47 47 LEU HD21 H 1 0.0620 0.0000 . 2 . . 455121 . . 47 LEU HD21 . 52228 1 238 . 1 . 1 47 47 LEU HD22 H 1 0.0620 0.0000 . 2 . . 455121 . . 47 LEU HD21 . 52228 1 239 . 1 . 1 47 47 LEU HD23 H 1 0.0620 0.0000 . 2 . . 455121 . . 47 LEU HD21 . 52228 1 240 . 1 . 1 47 47 LEU C C 13 176.2030 0.0000 . 1 . . 332754 . . 47 LEU C . 52228 1 241 . 1 . 1 47 47 LEU CA C 13 53.9610 0.0000 . 1 . . 272655 . . 47 LEU CA . 52228 1 242 . 1 . 1 47 47 LEU CB C 13 41.6805 0.0000 . 1 . . 326280 . . 47 LEU CB . 52228 1 243 . 1 . 1 47 47 LEU CD1 C 13 24.7290 0.0000 . 2 . . 453357 . . 47 LEU CD1 . 52228 1 244 . 1 . 1 47 47 LEU CD2 C 13 22.9650 0.0000 . 2 . . 453537 . . 47 LEU CD2 . 52228 1 245 . 1 . 1 47 47 LEU N N 15 118.9002 0.0000 . 1 . . 241757 . . 47 LEU N . 52228 1 246 . 1 . 1 48 48 GLU H H 1 9.0314 0.0000 . 1 . . 238785 . . 48 GLU H . 52228 1 247 . 1 . 1 48 48 GLU C C 13 175.3042 0.0000 . 1 . . 271309 . . 48 GLU C . 52228 1 248 . 1 . 1 48 48 GLU CA C 13 54.7864 0.0000 . 1 . . 271313 . . 48 GLU CA . 52228 1 249 . 1 . 1 48 48 GLU CB C 13 32.4914 0.0000 . 1 . . 271314 . . 48 GLU CB . 52228 1 250 . 1 . 1 48 48 GLU N N 15 121.5654 0.0000 . 1 . . 238787 . . 48 GLU N . 52228 1 251 . 1 . 1 49 49 TRP H H 1 9.6983 0.0000 . 1 . . 240084 . . 49 TRP H . 52228 1 252 . 1 . 1 49 49 TRP C C 13 174.9728 0.0000 . 1 . . 267946 . . 49 TRP C . 52228 1 253 . 1 . 1 49 49 TRP CA C 13 60.4683 0.0000 . 1 . . 267949 . . 49 TRP CA . 52228 1 254 . 1 . 1 49 49 TRP N N 15 129.8378 0.0000 . 1 . . 240086 . . 49 TRP N . 52228 1 255 . 1 . 1 50 50 VAL H H 1 8.1804 0.0000 . 1 . . 241344 . . 50 VAL H . 52228 1 256 . 1 . 1 50 50 VAL HG11 H 1 0.9220 0.0000 . 2 . . 454668 . . 50 VAL HG11 . 52228 1 257 . 1 . 1 50 50 VAL HG12 H 1 0.9220 0.0000 . 2 . . 454668 . . 50 VAL HG11 . 52228 1 258 . 1 . 1 50 50 VAL HG13 H 1 0.9220 0.0000 . 2 . . 454668 . . 50 VAL HG11 . 52228 1 259 . 1 . 1 50 50 VAL HG21 H 1 0.8700 0.0000 . 2 . . 454668 . . 50 VAL HG21 . 52228 1 260 . 1 . 1 50 50 VAL HG22 H 1 0.8700 0.0000 . 2 . . 454668 . . 50 VAL HG21 . 52228 1 261 . 1 . 1 50 50 VAL HG23 H 1 0.8700 0.0000 . 2 . . 454668 . . 50 VAL HG21 . 52228 1 262 . 1 . 1 50 50 VAL C C 13 173.0939 0.0000 . 1 . . 550102 . . 50 VAL C . 52228 1 263 . 1 . 1 50 50 VAL CA C 13 62.5878 0.0000 . 1 . . 550108 . . 50 VAL CA . 52228 1 264 . 1 . 1 50 50 VAL CG1 C 13 22.1890 0.0000 . 2 . . 453585 . . 50 VAL CG1 . 52228 1 265 . 1 . 1 50 50 VAL CG2 C 13 20.4870 0.0000 . 2 . . 453870 . . 50 VAL CG2 . 52228 1 266 . 1 . 1 50 50 VAL N N 15 121.5051 0.0000 . 1 . . 241346 . . 50 VAL N . 52228 1 267 . 1 . 1 51 51 ALA H H 1 6.4865 0.0000 . 1 . . 257334 . . 51 ALA H . 52228 1 268 . 1 . 1 51 51 ALA C C 13 174.8941 0.0000 . 1 . . 339514 . . 51 ALA C . 52228 1 269 . 1 . 1 51 51 ALA CA C 13 51.3819 0.0000 . 1 . . 339519 . . 51 ALA CA . 52228 1 270 . 1 . 1 51 51 ALA CB C 13 22.2442 0.0000 . 1 . . 339518 . . 51 ALA CB . 52228 1 271 . 1 . 1 51 51 ALA N N 15 114.9940 0.0000 . 1 . . 257336 . . 51 ALA N . 52228 1 272 . 1 . 1 52 52 ARG H H 1 8.6400 0.0000 . 1 . . . . . 52 ARG H . 52228 1 273 . 1 . 1 52 52 ARG C C 13 173.1170 0.0000 . 1 . . 504232 . . 52 ARG C . 52228 1 274 . 1 . 1 52 52 ARG CA C 13 54.0557 0.0000 . 1 . . 504240 . . 52 ARG CA . 52228 1 275 . 1 . 1 52 52 ARG N N 15 117.5800 0.0000 . 1 . . . . . 52 ARG N . 52228 1 276 . 1 . 1 53 53 ILE H H 1 8.9276 0.0000 . 1 . . 239115 . . 53 ILE H . 52228 1 277 . 1 . 1 53 53 ILE HD11 H 1 0.7660 0.0000 . 1 . . 762762 . . 53 ILE HD11 . 52228 1 278 . 1 . 1 53 53 ILE HD12 H 1 0.7660 0.0000 . 1 . . 762762 . . 53 ILE HD11 . 52228 1 279 . 1 . 1 53 53 ILE HD13 H 1 0.7660 0.0000 . 1 . . 762762 . . 53 ILE HD11 . 52228 1 280 . 1 . 1 53 53 ILE C C 13 171.2792 0.0000 . 1 . . 449649 . . 53 ILE C . 52228 1 281 . 1 . 1 53 53 ILE CA C 13 57.8759 0.0000 . 1 . . 449661 . . 53 ILE CA . 52228 1 282 . 1 . 1 53 53 ILE CB C 13 41.4328 0.0000 . 1 . . 449653 . . 53 ILE CB . 52228 1 283 . 1 . 1 53 53 ILE CD1 C 13 14.5190 0.0000 . 1 . . 454110 . . 53 ILE CD1 . 52228 1 284 . 1 . 1 53 53 ILE N N 15 118.6400 0.0000 . 1 . . 239117 . . 53 ILE N . 52228 1 285 . 1 . 1 54 54 TYR H H 1 8.2130 0.0000 . 1 . . 259122 . . 54 TYR H . 52228 1 286 . 1 . 1 54 54 TYR C C 13 174.5251 0.0000 . 1 . . 308643 . . 54 TYR C . 52228 1 287 . 1 . 1 54 54 TYR CA C 13 51.7371 0.0000 . 1 . . 308642 . . 54 TYR CA . 52228 1 288 . 1 . 1 54 54 TYR CB C 13 37.0369 0.0000 . 1 . . 308638 . . 54 TYR CB . 52228 1 289 . 1 . 1 54 54 TYR N N 15 128.5067 0.0000 . 1 . . 259124 . . 54 TYR N . 52228 1 290 . 1 . 1 55 55 PRO C C 13 176.3769 0.0000 . 1 . . 484465 . . 55 PRO C . 52228 1 291 . 1 . 1 55 55 PRO CA C 13 64.9618 0.0000 . 1 . . 484467 . . 55 PRO CA . 52228 1 292 . 1 . 1 55 55 PRO CB C 13 31.9649 0.0000 . 1 . . 484469 . . 55 PRO CB . 52228 1 293 . 1 . 1 56 56 THR H H 1 7.0737 0.0000 . 1 . . 239787 . . 56 THR H . 52228 1 294 . 1 . 1 56 56 THR C C 13 173.6052 0.0000 . 1 . . 484475 . . 56 THR C . 52228 1 295 . 1 . 1 56 56 THR CA C 13 66.2486 0.0000 . 1 . . 484473 . . 56 THR CA . 52228 1 296 . 1 . 1 56 56 THR CB C 13 67.9822 0.0000 . 1 . . 484470 . . 56 THR CB . 52228 1 297 . 1 . 1 56 56 THR N N 15 110.2931 0.0000 . 1 . . 239789 . . 56 THR N . 52228 1 298 . 1 . 1 57 57 ASN H H 1 6.5690 0.0000 . 1 . . 257973 . . 57 ASN H . 52228 1 299 . 1 . 1 57 57 ASN C C 13 176.2966 0.0000 . 1 . . 484548 . . 57 ASN C . 52228 1 300 . 1 . 1 57 57 ASN CA C 13 51.3299 0.0000 . 1 . . 275351 . . 57 ASN CA . 52228 1 301 . 1 . 1 57 57 ASN CB C 13 38.2862 0.0000 . 1 . . 484556 . . 57 ASN CB . 52228 1 302 . 1 . 1 57 57 ASN N N 15 112.7478 0.0000 . 1 . . 257975 . . 57 ASN N . 52228 1 303 . 1 . 1 58 58 GLY H H 1 8.3485 0.0000 . 1 . . 249870 . . 58 GLY H . 52228 1 304 . 1 . 1 58 58 GLY C C 13 174.3064 0.0000 . 1 . . 854554 . . 58 GLY C . 52228 1 305 . 1 . 1 58 58 GLY CA C 13 45.4892 0.0000 . 1 . . 760560 . . 58 GLY CA . 52228 1 306 . 1 . 1 58 58 GLY N N 15 108.3186 0.0000 . 1 . . 249872 . . 58 GLY N . 52228 1 307 . 1 . 1 59 59 TYR H H 1 8.2110 0.0000 . 1 . . 854205 . . 59 TYR H . 52228 1 308 . 1 . 1 59 59 TYR C C 13 177.4052 0.0000 . 1 . . 854513 . . 59 TYR C . 52228 1 309 . 1 . 1 59 59 TYR CA C 13 57.4481 0.0000 . 1 . . 854516 . . 59 TYR CA . 52228 1 310 . 1 . 1 59 59 TYR CB C 13 36.6184 0.0000 . 1 . . 854517 . . 59 TYR CB . 52228 1 311 . 1 . 1 59 59 TYR N N 15 121.1627 0.0000 . 1 . . 854207 . . 59 TYR N . 52228 1 312 . 1 . 1 60 60 THR H H 1 8.4191 0.0000 . 1 . . 251733 . . 60 THR H . 52228 1 313 . 1 . 1 60 60 THR C C 13 174.4504 0.0000 . 1 . . 854577 . . 60 THR C . 52228 1 314 . 1 . 1 60 60 THR CA C 13 59.3326 0.0000 . 1 . . 854583 . . 60 THR CA . 52228 1 315 . 1 . 1 60 60 THR CB C 13 72.4781 0.0000 . 1 . . 854579 . . 60 THR CB . 52228 1 316 . 1 . 1 60 60 THR N N 15 115.0665 0.0000 . 1 . . 251735 . . 60 THR N . 52228 1 317 . 1 . 1 61 61 ARG H H 1 7.8288 0.0000 . 1 . . 239238 . . 61 ARG H . 52228 1 318 . 1 . 1 61 61 ARG C C 13 173.6628 0.0000 . 1 . . 760528 . . 61 ARG C . 52228 1 319 . 1 . 1 61 61 ARG CA C 13 54.0117 0.0000 . 1 . . 760536 . . 61 ARG CA . 52228 1 320 . 1 . 1 61 61 ARG CB C 13 34.4919 0.0000 . 1 . . 760540 . . 61 ARG CB . 52228 1 321 . 1 . 1 61 61 ARG N N 15 117.5269 0.0000 . 1 . . 239240 . . 61 ARG N . 52228 1 322 . 1 . 1 62 62 TYR H H 1 8.7816 0.0000 . 1 . . 251424 . . 62 TYR H . 52228 1 323 . 1 . 1 62 62 TYR C C 13 176.0813 0.0000 . 1 . . 273397 . . 62 TYR C . 52228 1 324 . 1 . 1 62 62 TYR CA C 13 57.1570 0.0000 . 1 . . 273398 . . 62 TYR CA . 52228 1 325 . 1 . 1 62 62 TYR CB C 13 42.6108 0.0000 . 1 . . 273400 . . 62 TYR CB . 52228 1 326 . 1 . 1 62 62 TYR N N 15 117.2899 0.0000 . 1 . . 251426 . . 62 TYR N . 52228 1 327 . 1 . 1 63 63 ALA H H 1 8.2600 0.0000 . 1 . . 253896 . . 63 ALA H . 52228 1 328 . 1 . 1 63 63 ALA C C 13 179.0401 0.0000 . 1 . . 269304 . . 63 ALA C . 52228 1 329 . 1 . 1 63 63 ALA CA C 13 51.6644 0.0000 . 1 . . 269306 . . 63 ALA CA . 52228 1 330 . 1 . 1 63 63 ALA CB C 13 18.9623 0.0000 . 1 . . 269309 . . 63 ALA CB . 52228 1 331 . 1 . 1 63 63 ALA N N 15 125.3448 0.0000 . 1 . . 253898 . . 63 ALA N . 52228 1 332 . 1 . 1 64 64 ASP H H 1 9.3397 0.0000 . 1 . . 254592 . . 64 ASP H . 52228 1 333 . 1 . 1 64 64 ASP C C 13 178.1636 0.0000 . 1 . . 270071 . . 64 ASP C . 52228 1 334 . 1 . 1 64 64 ASP CA C 13 57.5488 0.0000 . 1 . . 270072 . . 64 ASP CA . 52228 1 335 . 1 . 1 64 64 ASP CB C 13 40.0403 0.0000 . 1 . . 270073 . . 64 ASP CB . 52228 1 336 . 1 . 1 64 64 ASP N N 15 123.3428 0.0000 . 1 . . 254594 . . 64 ASP N . 52228 1 337 . 1 . 1 65 65 SER H H 1 8.2122 0.0000 . 1 . . 249396 . . 65 SER H . 52228 1 338 . 1 . 1 65 65 SER C C 13 175.8005 0.0000 . 1 . . 354776 . . 65 SER C . 52228 1 339 . 1 . 1 65 65 SER CA C 13 59.9006 0.0000 . 1 . . 354780 . . 65 SER CA . 52228 1 340 . 1 . 1 65 65 SER CB C 13 62.1951 0.0000 . 1 . . 354779 . . 65 SER CB . 52228 1 341 . 1 . 1 65 65 SER N N 15 110.4520 0.0000 . 1 . . 249398 . . 65 SER N . 52228 1 342 . 1 . 1 66 66 VAL H H 1 7.2120 0.0000 . 1 . . 239724 . . 66 VAL H . 52228 1 343 . 1 . 1 66 66 VAL HG11 H 1 0.2320 0.0000 . 2 . . 455061 . . 66 VAL HG11 . 52228 1 344 . 1 . 1 66 66 VAL HG12 H 1 0.2320 0.0000 . 2 . . 455061 . . 66 VAL HG11 . 52228 1 345 . 1 . 1 66 66 VAL HG13 H 1 0.2320 0.0000 . 2 . . 455061 . . 66 VAL HG11 . 52228 1 346 . 1 . 1 66 66 VAL HG21 H 1 0.8930 0.0000 . 2 . . 454704 . . 66 VAL HG21 . 52228 1 347 . 1 . 1 66 66 VAL HG22 H 1 0.8930 0.0000 . 2 . . 454704 . . 66 VAL HG21 . 52228 1 348 . 1 . 1 66 66 VAL HG23 H 1 0.8930 0.0000 . 2 . . 454704 . . 66 VAL HG21 . 52228 1 349 . 1 . 1 66 66 VAL C C 13 175.2680 0.0000 . 1 . . 394522 . . 66 VAL C . 52228 1 350 . 1 . 1 66 66 VAL CA C 13 59.8736 0.0000 . 1 . . 394635 . . 66 VAL CA . 52228 1 351 . 1 . 1 66 66 VAL CB C 13 30.9658 0.0000 . 1 . . 269352 . . 66 VAL CB . 52228 1 352 . 1 . 1 66 66 VAL CG1 C 13 20.3970 0.0000 . 2 . . 453897 . . 66 VAL CG1 . 52228 1 353 . 1 . 1 66 66 VAL CG2 C 13 19.0580 0.0000 . 2 . . 454005 . . 66 VAL CG2 . 52228 1 354 . 1 . 1 66 66 VAL N N 15 111.2331 0.0000 . 1 . . 239726 . . 66 VAL N . 52228 1 355 . 1 . 1 67 67 LYS H H 1 7.3268 0.0000 . 1 . . 238290 . . 67 LYS H . 52228 1 356 . 1 . 1 67 67 LYS C C 13 177.2720 0.0000 . 1 . . 269347 . . 67 LYS C . 52228 1 357 . 1 . 1 67 67 LYS CA C 13 57.8943 0.0000 . 1 . . 269351 . . 67 LYS CA . 52228 1 358 . 1 . 1 67 67 LYS N N 15 125.4032 0.0000 . 1 . . 238292 . . 67 LYS N . 52228 1 359 . 1 . 1 68 68 GLY H H 1 9.0527 0.0000 . 1 . . 257031 . . 68 GLY H . 52228 1 360 . 1 . 1 68 68 GLY C C 13 173.8914 0.0000 . 1 . . 394464 . . 68 GLY C . 52228 1 361 . 1 . 1 68 68 GLY CA C 13 44.9882 0.0000 . 1 . . 394472 . . 68 GLY CA . 52228 1 362 . 1 . 1 68 68 GLY N N 15 115.8652 0.0000 . 1 . . 257033 . . 68 GLY N . 52228 1 363 . 1 . 1 69 69 ARG H H 1 7.6524 0.0000 . 1 . . 239280 . . 69 ARG H . 52228 1 364 . 1 . 1 69 69 ARG C C 13 175.5271 0.0000 . 1 . . 273372 . . 69 ARG C . 52228 1 365 . 1 . 1 69 69 ARG CA C 13 56.9039 0.0000 . 1 . . 273371 . . 69 ARG CA . 52228 1 366 . 1 . 1 69 69 ARG CB C 13 29.9088 0.0000 . 1 . . 272618 . . 69 ARG CB . 52228 1 367 . 1 . 1 69 69 ARG N N 15 117.3347 0.0000 . 1 . . 239282 . . 69 ARG N . 52228 1 368 . 1 . 1 70 70 PHE H H 1 7.5713 0.0000 . 1 . . 239064 . . 70 PHE H . 52228 1 369 . 1 . 1 70 70 PHE C C 13 174.6491 0.0000 . 1 . . 272615 . . 70 PHE C . 52228 1 370 . 1 . 1 70 70 PHE CA C 13 52.4221 0.0000 . 1 . . 272616 . . 70 PHE CA . 52228 1 371 . 1 . 1 70 70 PHE CB C 13 38.4107 0.0000 . 1 . . 272614 . . 70 PHE CB . 52228 1 372 . 1 . 1 70 70 PHE N N 15 119.0987 0.0000 . 1 . . 239066 . . 70 PHE N . 52228 1 373 . 1 . 1 71 71 THR H H 1 9.0193 0.0000 . 1 . . 257898 . . 71 THR H . 52228 1 374 . 1 . 1 71 71 THR C C 13 173.9851 0.0000 . 1 . . 275148 . . 71 THR C . 52228 1 375 . 1 . 1 71 71 THR CA C 13 60.6837 0.0000 . 1 . . 275155 . . 71 THR CA . 52228 1 376 . 1 . 1 71 71 THR CB C 13 71.3891 0.0000 . 1 . . 275151 . . 71 THR CB . 52228 1 377 . 1 . 1 71 71 THR N N 15 113.1074 0.0000 . 1 . . 257900 . . 71 THR N . 52228 1 378 . 1 . 1 72 72 ILE H H 1 9.3494 0.0000 . 1 . . 240054 . . 72 ILE H . 52228 1 379 . 1 . 1 72 72 ILE HD11 H 1 0.8130 0.0000 . 1 . . 832931 . . 72 ILE HD11 . 52228 1 380 . 1 . 1 72 72 ILE HD12 H 1 0.8130 0.0000 . 1 . . 832931 . . 72 ILE HD11 . 52228 1 381 . 1 . 1 72 72 ILE HD13 H 1 0.8130 0.0000 . 1 . . 832931 . . 72 ILE HD11 . 52228 1 382 . 1 . 1 72 72 ILE C C 13 171.7907 0.0000 . 1 . . 516532 . . 72 ILE C . 52228 1 383 . 1 . 1 72 72 ILE CA C 13 57.8372 0.0000 . 1 . . 516536 . . 72 ILE CA . 52228 1 384 . 1 . 1 72 72 ILE CB C 13 40.6234 0.0000 . 1 . . 516544 . . 72 ILE CB . 52228 1 385 . 1 . 1 72 72 ILE CD1 C 13 15.9390 0.0000 . 1 . . 454089 . . 72 ILE CD1 . 52228 1 386 . 1 . 1 72 72 ILE N N 15 130.9079 0.0000 . 1 . . 240056 . . 72 ILE N . 52228 1 387 . 1 . 1 73 73 SER H H 1 8.6112 0.0000 . 1 . . 394339 . . 73 SER H . 52228 1 388 . 1 . 1 73 73 SER C C 13 172.7412 0.0000 . 1 . . 762970 . . 73 SER C . 52228 1 389 . 1 . 1 73 73 SER CA C 13 57.6016 0.0000 . 1 . . 477480 . . 73 SER CA . 52228 1 390 . 1 . 1 73 73 SER CB C 13 65.2229 0.0000 . 1 . . 477481 . . 73 SER CB . 52228 1 391 . 1 . 1 73 73 SER N N 15 118.7263 0.0000 . 1 . . 394341 . . 73 SER N . 52228 1 392 . 1 . 1 74 74 ALA H H 1 8.8981 0.0000 . 1 . . 256032 . . 74 ALA H . 52228 1 393 . 1 . 1 74 74 ALA C C 13 174.5255 0.0000 . 1 . . 760620 . . 74 ALA C . 52228 1 394 . 1 . 1 74 74 ALA CA C 13 51.8307 0.0000 . 1 . . 484710 . . 74 ALA CA . 52228 1 395 . 1 . 1 74 74 ALA CB C 13 20.7728 0.0000 . 1 . . 760634 . . 74 ALA CB . 52228 1 396 . 1 . 1 74 74 ALA N N 15 119.2665 0.0000 . 1 . . 256034 . . 74 ALA N . 52228 1 397 . 1 . 1 75 75 ASP H H 1 8.8059 0.0000 . 1 . . 255813 . . 75 ASP H . 52228 1 398 . 1 . 1 75 75 ASP C C 13 177.9265 0.0000 . 1 . . 484686 . . 75 ASP C . 52228 1 399 . 1 . 1 75 75 ASP CA C 13 52.1628 0.0000 . 1 . . 484696 . . 75 ASP CA . 52228 1 400 . 1 . 1 75 75 ASP CB C 13 41.9123 0.0000 . 1 . . 484688 . . 75 ASP CB . 52228 1 401 . 1 . 1 75 75 ASP N N 15 119.9912 0.0000 . 1 . . 255815 . . 75 ASP N . 52228 1 402 . 1 . 1 76 76 THR H H 1 9.0930 0.0000 . 1 . . 357028 . . 76 THR H . 52228 1 403 . 1 . 1 76 76 THR C C 13 176.8853 0.0000 . 1 . . 760646 . . 76 THR C . 52228 1 404 . 1 . 1 76 76 THR CA C 13 64.6926 0.0000 . 1 . . 760658 . . 76 THR CA . 52228 1 405 . 1 . 1 76 76 THR CB C 13 67.1371 0.0000 . 1 . . 760650 . . 76 THR CB . 52228 1 406 . 1 . 1 76 76 THR N N 15 116.6076 0.0000 . 1 . . 357030 . . 76 THR N . 52228 1 407 . 1 . 1 77 77 SER H H 1 8.5657 0.0000 . 1 . . 255579 . . 77 SER H . 52228 1 408 . 1 . 1 77 77 SER CA C 13 61.0076 0.0000 . 1 . . 760613 . . 77 SER CA . 52228 1 409 . 1 . 1 77 77 SER CB C 13 62.2203 0.0000 . 1 . . 760615 . . 77 SER CB . 52228 1 410 . 1 . 1 77 77 SER N N 15 120.5234 0.0000 . 1 . . 255581 . . 77 SER N . 52228 1 411 . 1 . 1 78 78 LYS H H 1 7.2730 0.0000 . 1 . . 256218 . . 78 LYS H . 52228 1 412 . 1 . 1 78 78 LYS C C 13 177.1617 0.0000 . 1 . . 333649 . . 78 LYS C . 52228 1 413 . 1 . 1 78 78 LYS CA C 13 55.2197 0.0000 . 1 . . 333658 . . 78 LYS CA . 52228 1 414 . 1 . 1 78 78 LYS CB C 13 32.5284 0.0000 . 1 . . 333656 . . 78 LYS CB . 52228 1 415 . 1 . 1 78 78 LYS N N 15 118.6861 0.0000 . 1 . . 256220 . . 78 LYS N . 52228 1 416 . 1 . 1 79 79 ASN H H 1 8.1622 0.0000 . 1 . . 314184 . . 79 ASN H . 52228 1 417 . 1 . 1 79 79 ASN C C 13 172.8674 0.0000 . 1 . . 439544 . . 79 ASN C . 52228 1 418 . 1 . 1 79 79 ASN CA C 13 53.4064 0.0000 . 1 . . 314224 . . 79 ASN CA . 52228 1 419 . 1 . 1 79 79 ASN CB C 13 38.8502 0.0000 . 1 . . 439552 . . 79 ASN CB . 52228 1 420 . 1 . 1 79 79 ASN N N 15 125.6415 0.0000 . 1 . . 314186 . . 79 ASN N . 52228 1 421 . 1 . 1 80 80 THR H H 1 7.4274 0.0000 . 1 . . 346631 . . 80 THR H . 52228 1 422 . 1 . 1 80 80 THR C C 13 170.8027 0.0000 . 1 . . 439530 . . 80 THR C . 52228 1 423 . 1 . 1 80 80 THR CA C 13 61.5851 0.0000 . 1 . . 439540 . . 80 THR CA . 52228 1 424 . 1 . 1 80 80 THR CB C 13 73.0620 0.0000 . 1 . . 439532 . . 80 THR CB . 52228 1 425 . 1 . 1 80 80 THR N N 15 110.0583 0.0000 . 1 . . 346633 . . 80 THR N . 52228 1 426 . 1 . 1 81 81 ALA H H 1 8.6163 0.0000 . 1 . . 238203 . . 81 ALA H . 52228 1 427 . 1 . 1 81 81 ALA C C 13 174.5384 0.0000 . 1 . . 439514 . . 81 ALA C . 52228 1 428 . 1 . 1 81 81 ALA CA C 13 49.1115 0.0000 . 1 . . 439522 . . 81 ALA CA . 52228 1 429 . 1 . 1 81 81 ALA CB C 13 21.3637 0.0000 . 1 . . 439526 . . 81 ALA CB . 52228 1 430 . 1 . 1 81 81 ALA N N 15 126.2422 0.0000 . 1 . . 238205 . . 81 ALA N . 52228 1 431 . 1 . 1 82 82 TYR H H 1 9.0819 0.0000 . 1 . . 239235 . . 82 TYR H . 52228 1 432 . 1 . 1 82 82 TYR C C 13 175.3047 0.0000 . 1 . . . . . 82 TYR C . 52228 1 433 . 1 . 1 82 82 TYR CA C 13 56.2765 0.0000 . 1 . . 336380 . . 82 TYR CA . 52228 1 434 . 1 . 1 82 82 TYR CB C 13 41.4358 0.0000 . 1 . . . . . 82 TYR CB . 52228 1 435 . 1 . 1 82 82 TYR N N 15 117.3424 0.0000 . 1 . . 239237 . . 82 TYR N . 52228 1 436 . 1 . 1 83 83 LEU HD11 H 1 0.4150 0.0000 . 2 . . . . . 83 LEU HD11 . 52228 1 437 . 1 . 1 83 83 LEU HD12 H 1 0.4150 0.0000 . 2 . . . . . 83 LEU HD11 . 52228 1 438 . 1 . 1 83 83 LEU HD13 H 1 0.4150 0.0000 . 2 . . . . . 83 LEU HD11 . 52228 1 439 . 1 . 1 83 83 LEU HD21 H 1 0.0390 0.0000 . 2 . . . . . 83 LEU HD21 . 52228 1 440 . 1 . 1 83 83 LEU HD22 H 1 0.0390 0.0000 . 2 . . . . . 83 LEU HD21 . 52228 1 441 . 1 . 1 83 83 LEU HD23 H 1 0.0390 0.0000 . 2 . . . . . 83 LEU HD21 . 52228 1 442 . 1 . 1 83 83 LEU C C 13 173.9052 0.0000 . 1 . . 439611 . . 83 LEU C . 52228 1 443 . 1 . 1 83 83 LEU CA C 13 53.0130 0.0000 . 1 . . 439617 . . 83 LEU CA . 52228 1 444 . 1 . 1 83 83 LEU CB C 13 41.7389 0.0000 . 1 . . 268090 . . 83 LEU CB . 52228 1 445 . 1 . 1 83 83 LEU CD1 C 13 22.1200 0.0000 . 2 . . 453564 . . 83 LEU CD1 . 52228 1 446 . 1 . 1 83 83 LEU CD2 C 13 25.1000 0.0000 . 2 . . 453300 . . 83 LEU CD2 . 52228 1 447 . 1 . 1 84 84 GLN H H 1 9.0585 0.0000 . 1 . . 237933 . . 84 GLN H . 52228 1 448 . 1 . 1 84 84 GLN CA C 13 54.4467 0.0000 . 1 . . 268391 . . 84 GLN CA . 52228 1 449 . 1 . 1 84 84 GLN CB C 13 28.1703 0.0000 . 1 . . 436722 . . 84 GLN CB . 52228 1 450 . 1 . 1 84 84 GLN N N 15 128.6675 0.0000 . 1 . . 237935 . . 84 GLN N . 52228 1 451 . 1 . 1 85 85 MET H H 1 8.8334 0.0000 . 1 . . 238089 . . 85 MET H . 52228 1 452 . 1 . 1 85 85 MET C C 13 173.0290 0.0000 . 1 . . 371824 . . 85 MET C . 52228 1 453 . 1 . 1 85 85 MET CA C 13 54.3733 0.0000 . 1 . . 331411 . . 85 MET CA . 52228 1 454 . 1 . 1 85 85 MET CB C 13 33.9816 0.0000 . 1 . . 371828 . . 85 MET CB . 52228 1 455 . 1 . 1 85 85 MET N N 15 127.3513 0.0000 . 1 . . 238091 . . 85 MET N . 52228 1 456 . 1 . 1 86 86 ASN H H 1 7.6549 0.0000 . 1 . . 241677 . . 86 ASN H . 52228 1 457 . 1 . 1 86 86 ASN C C 13 173.2169 0.0000 . 1 . . 331409 . . 86 ASN C . 52228 1 458 . 1 . 1 86 86 ASN CA C 13 50.8817 0.0000 . 1 . . 331417 . . 86 ASN CA . 52228 1 459 . 1 . 1 86 86 ASN CB C 13 40.5889 0.0000 . 1 . . 331415 . . 86 ASN CB . 52228 1 460 . 1 . 1 86 86 ASN N N 15 119.6559 0.0000 . 1 . . 241679 . . 86 ASN N . 52228 1 461 . 1 . 1 87 87 SER H H 1 8.5434 0.0000 . 1 . . 239748 . . 87 SER H . 52228 1 462 . 1 . 1 87 87 SER C C 13 176.1895 0.0000 . 1 . . 357236 . . 87 SER C . 52228 1 463 . 1 . 1 87 87 SER CA C 13 57.1565 0.0000 . 1 . . 357241 . . 87 SER CA . 52228 1 464 . 1 . 1 87 87 SER CB C 13 61.2896 0.0000 . 1 . . 357255 . . 87 SER CB . 52228 1 465 . 1 . 1 87 87 SER N N 15 110.8341 0.0000 . 1 . . 239750 . . 87 SER N . 52228 1 466 . 1 . 1 88 88 LEU H H 1 7.8946 0.0000 . 1 . . 241794 . . 88 LEU H . 52228 1 467 . 1 . 1 88 88 LEU HD11 H 1 0.5400 0.0000 . 2 . . 454947 . . 88 LEU HD11 . 52228 1 468 . 1 . 1 88 88 LEU HD12 H 1 0.5400 0.0000 . 2 . . 454947 . . 88 LEU HD11 . 52228 1 469 . 1 . 1 88 88 LEU HD13 H 1 0.5400 0.0000 . 2 . . 454947 . . 88 LEU HD11 . 52228 1 470 . 1 . 1 88 88 LEU HD21 H 1 0.9020 0.0000 . 2 . . 454686 . . 88 LEU HD21 . 52228 1 471 . 1 . 1 88 88 LEU HD22 H 1 0.9020 0.0000 . 2 . . 454686 . . 88 LEU HD21 . 52228 1 472 . 1 . 1 88 88 LEU HD23 H 1 0.9020 0.0000 . 2 . . 454686 . . 88 LEU HD21 . 52228 1 473 . 1 . 1 88 88 LEU C C 13 176.9564 0.0000 . 1 . . 272824 . . 88 LEU C . 52228 1 474 . 1 . 1 88 88 LEU CA C 13 56.4017 0.0000 . 1 . . 272826 . . 88 LEU CA . 52228 1 475 . 1 . 1 88 88 LEU CB C 13 42.1718 0.0000 . 1 . . 272825 . . 88 LEU CB . 52228 1 476 . 1 . 1 88 88 LEU CD1 C 13 26.8420 0.0000 . 2 . . 453228 . . 88 LEU CD1 . 52228 1 477 . 1 . 1 88 88 LEU CD2 C 13 24.4600 0.0000 . 2 . . 453390 . . 88 LEU CD2 . 52228 1 478 . 1 . 1 88 88 LEU N N 15 118.4618 0.0000 . 1 . . 241796 . . 88 LEU N . 52228 1 479 . 1 . 1 89 89 ARG H H 1 9.6210 0.0000 . 1 . . 255657 . . 89 ARG H . 52228 1 480 . 1 . 1 89 89 ARG C C 13 176.8561 0.0000 . 1 . . 271775 . . 89 ARG C . 52228 1 481 . 1 . 1 89 89 ARG CA C 13 53.3871 0.0000 . 1 . . 271777 . . 89 ARG CA . 52228 1 482 . 1 . 1 89 89 ARG CB C 13 33.2337 0.0000 . 1 . . 271774 . . 89 ARG CB . 52228 1 483 . 1 . 1 89 89 ARG N N 15 120.6630 0.0000 . 1 . . 255659 . . 89 ARG N . 52228 1 484 . 1 . 1 90 90 ALA H H 1 9.1216 0.0000 . 1 . . 315206 . . 90 ALA H . 52228 1 485 . 1 . 1 90 90 ALA C C 13 180.7795 0.0000 . 1 . . 315255 . . 90 ALA C . 52228 1 486 . 1 . 1 90 90 ALA CA C 13 55.7018 0.0000 . 1 . . 315252 . . 90 ALA CA . 52228 1 487 . 1 . 1 90 90 ALA CB C 13 17.3568 0.0000 . 1 . . 315248 . . 90 ALA CB . 52228 1 488 . 1 . 1 90 90 ALA N N 15 125.3525 0.0000 . 1 . . 315208 . . 90 ALA N . 52228 1 489 . 1 . 1 91 91 GLU H H 1 9.4134 0.0000 . 1 . . 239484 . . 91 GLU H . 52228 1 490 . 1 . 1 91 91 GLU C C 13 176.1659 0.0000 . 1 . . 473998 . . 91 GLU C . 52228 1 491 . 1 . 1 91 91 GLU CA C 13 58.1196 0.0000 . 1 . . 274144 . . 91 GLU CA . 52228 1 492 . 1 . 1 91 91 GLU CB C 13 27.4059 0.0000 . 1 . . 274147 . . 91 GLU CB . 52228 1 493 . 1 . 1 91 91 GLU N N 15 114.9560 0.0000 . 1 . . 239486 . . 91 GLU N . 52228 1 494 . 1 . 1 92 92 ASP H H 1 8.4975 0.0000 . 1 . . 473955 . . 92 ASP H . 52228 1 495 . 1 . 1 92 92 ASP C C 13 176.7798 0.0000 . 1 . . 473996 . . 92 ASP C . 52228 1 496 . 1 . 1 92 92 ASP CA C 13 54.8505 0.0000 . 1 . . 272949 . . 92 ASP CA . 52228 1 497 . 1 . 1 92 92 ASP CB C 13 41.8056 0.0000 . 1 . . 473994 . . 92 ASP CB . 52228 1 498 . 1 . 1 92 92 ASP N N 15 118.1475 0.0000 . 1 . . 473957 . . 92 ASP N . 52228 1 499 . 1 . 1 93 93 THR H H 1 7.9221 0.0000 . 1 . . 241494 . . 93 THR H . 52228 1 500 . 1 . 1 93 93 THR C C 13 174.5585 0.0000 . 1 . . 328513 . . 93 THR C . 52228 1 501 . 1 . 1 93 93 THR CA C 13 64.8376 0.0000 . 1 . . 328518 . . 93 THR CA . 52228 1 502 . 1 . 1 93 93 THR CB C 13 69.4527 0.0000 . 1 . . 328517 . . 93 THR CB . 52228 1 503 . 1 . 1 93 93 THR N N 15 120.4697 0.0000 . 1 . . 241496 . . 93 THR N . 52228 1 504 . 1 . 1 94 94 ALA H H 1 9.1730 0.0000 . 1 . . 253233 . . 94 ALA H . 52228 1 505 . 1 . 1 94 94 ALA C C 13 175.8259 0.0000 . 1 . . 474016 . . 94 ALA C . 52228 1 506 . 1 . 1 94 94 ALA CA C 13 52.3042 0.0000 . 1 . . 474022 . . 94 ALA CA . 52228 1 507 . 1 . 1 94 94 ALA CB C 13 20.5477 0.0000 . 1 . . 474026 . . 94 ALA CB . 52228 1 508 . 1 . 1 94 94 ALA N N 15 127.4924 0.0000 . 1 . . 253235 . . 94 ALA N . 52228 1 509 . 1 . 1 95 95 VAL H H 1 7.9119 0.0000 . 1 . . 248067 . . 95 VAL H . 52228 1 510 . 1 . 1 95 95 VAL HG11 H 1 0.2380 0.0000 . 2 . . 455058 . . 95 VAL HG11 . 52228 1 511 . 1 . 1 95 95 VAL HG12 H 1 0.2380 0.0000 . 2 . . 455058 . . 95 VAL HG11 . 52228 1 512 . 1 . 1 95 95 VAL HG13 H 1 0.2380 0.0000 . 2 . . 455058 . . 95 VAL HG11 . 52228 1 513 . 1 . 1 95 95 VAL HG21 H 1 0.9080 0.0000 . 2 . . 454686 . . 95 VAL HG21 . 52228 1 514 . 1 . 1 95 95 VAL HG22 H 1 0.9080 0.0000 . 2 . . 454686 . . 95 VAL HG21 . 52228 1 515 . 1 . 1 95 95 VAL HG23 H 1 0.9080 0.0000 . 2 . . 454686 . . 95 VAL HG21 . 52228 1 516 . 1 . 1 95 95 VAL C C 13 175.5007 0.0000 . 1 . . . . . 95 VAL C . 52228 1 517 . 1 . 1 95 95 VAL CA C 13 62.5466 0.0000 . 1 . . 474028 . . 95 VAL CA . 52228 1 518 . 1 . 1 95 95 VAL CB C 13 31.6228 0.0000 . 1 . . . . . 95 VAL CB . 52228 1 519 . 1 . 1 95 95 VAL CG1 C 13 20.9670 0.0000 . 2 . . . . . 95 VAL CG1 . 52228 1 520 . 1 . 1 95 95 VAL CG2 C 13 22.9210 0.0000 . 2 . . . . . 95 VAL CG2 . 52228 1 521 . 1 . 1 95 95 VAL N N 15 118.9826 0.0000 . 1 . . 248069 . . 95 VAL N . 52228 1 522 . 1 . 1 97 97 TYR CA C 13 55.0936 0.0000 . 1 . . 856587 . . 97 TYR CA . 52228 1 523 . 1 . 1 97 97 TYR CB C 13 41.5302 0.0000 . 1 . . 852062 . . 97 TYR CB . 52228 1 524 . 1 . 1 98 98 CYS C C 13 174.0119 0.0000 . 1 . . 852065 . . 98 CYS C . 52228 1 525 . 1 . 1 98 98 CYS CA C 13 58.7260 0.0000 . 1 . . 851629 . . 98 CYS CA . 52228 1 526 . 1 . 1 98 98 CYS CB C 13 33.4480 0.0000 . 1 . . 852077 . . 98 CYS CB . 52228 1 527 . 1 . 1 99 99 SER H H 1 7.2278 0.0000 . 1 . . 242289 . . 99 SER H . 52228 1 528 . 1 . 1 99 99 SER C C 13 174.2676 0.0000 . 1 . . 856347 . . 99 SER C . 52228 1 529 . 1 . 1 99 99 SER CA C 13 58.4590 0.0000 . 1 . . 856363 . . 99 SER CA . 52228 1 530 . 1 . 1 99 99 SER CB C 13 69.3898 0.0000 . 1 . . 856341 . . 99 SER CB . 52228 1 531 . 1 . 1 99 99 SER N N 15 114.4961 0.0000 . 1 . . 242291 . . 99 SER N . 52228 1 532 . 1 . 1 100 100 ARG H H 1 8.6540 0.0000 . 1 . . 256689 . . 100 ARG H . 52228 1 533 . 1 . 1 100 100 ARG C C 13 172.5610 0.0000 . 1 . . 856678 . . 100 ARG C . 52228 1 534 . 1 . 1 100 100 ARG CA C 13 56.9962 0.0000 . 1 . . 273356 . . 100 ARG CA . 52228 1 535 . 1 . 1 100 100 ARG CB C 13 32.7449 0.0000 . 1 . . 273352 . . 100 ARG CB . 52228 1 536 . 1 . 1 100 100 ARG N N 15 117.1180 0.0000 . 1 . . 256691 . . 100 ARG N . 52228 1 537 . 1 . 1 101 101 TRP C C 13 173.5010 0.0000 . 1 . . 537551 . . 101 TRP C . 52228 1 538 . 1 . 1 101 101 TRP CA C 13 63.2855 0.0000 . 1 . . 537543 . . 101 TRP CA . 52228 1 539 . 1 . 1 101 101 TRP CB C 13 26.0656 0.0000 . 1 . . 537543 . . 101 TRP CB . 52228 1 540 . 1 . 1 102 102 GLY H H 1 7.3735 0.0000 . 1 . . 254103 . . 102 GLY H . 52228 1 541 . 1 . 1 102 102 GLY C C 13 170.8890 0.0000 . 1 . . 537542 . . 102 GLY C . 52228 1 542 . 1 . 1 102 102 GLY CA C 13 43.6057 0.0000 . 1 . . 487357 . . 102 GLY CA . 52228 1 543 . 1 . 1 102 102 GLY N N 15 124.7906 0.0000 . 1 . . 254105 . . 102 GLY N . 52228 1 544 . 1 . 1 103 103 GLY C C 13 173.7643 0.0000 . 1 . . 526313 . . 103 GLY C . 52228 1 545 . 1 . 1 103 103 GLY CA C 13 44.6758 0.0000 . 1 . . 526317 . . 103 GLY CA . 52228 1 546 . 1 . 1 104 104 ASP H H 1 8.3400 0.0000 . 1 . . 486266 . . 104 ASP H . 52228 1 547 . 1 . 1 104 104 ASP C C 13 176.4984 0.0000 . 1 . . 486382 . . 104 ASP C . 52228 1 548 . 1 . 1 104 104 ASP CA C 13 54.6742 0.0000 . 1 . . 486383 . . 104 ASP CA . 52228 1 549 . 1 . 1 104 104 ASP CB C 13 39.7246 0.0000 . 1 . . 486376 . . 104 ASP CB . 52228 1 550 . 1 . 1 104 104 ASP N N 15 119.9960 0.0000 . 1 . . 486268 . . 104 ASP N . 52228 1 551 . 1 . 1 105 105 GLY H H 1 7.6921 0.0000 . 1 . . 496289 . . 105 GLY H . 52228 1 552 . 1 . 1 105 105 GLY C C 13 173.0219 0.0000 . 1 . . 761802 . . 105 GLY C . 52228 1 553 . 1 . 1 105 105 GLY CA C 13 44.9707 0.0000 . 1 . . 496830 . . 105 GLY CA . 52228 1 554 . 1 . 1 105 105 GLY N N 15 108.1435 0.0000 . 1 . . 496291 . . 105 GLY N . 52228 1 555 . 1 . 1 106 106 PHE H H 1 8.0800 0.0000 . 1 . . . . . 106 PHE H . 52228 1 556 . 1 . 1 106 106 PHE C C 13 176.4329 0.0000 . 1 . . 849715 . . 106 PHE C . 52228 1 557 . 1 . 1 106 106 PHE CA C 13 53.8302 0.0000 . 1 . . 849723 . . 106 PHE CA . 52228 1 558 . 1 . 1 106 106 PHE CB C 13 42.9183 0.0000 . 1 . . 472213 . . 106 PHE CB . 52228 1 559 . 1 . 1 106 106 PHE N N 15 122.5600 0.0000 . 1 . . . . . 106 PHE N . 52228 1 560 . 1 . 1 107 107 TYR H H 1 9.0152 0.0000 . 1 . . 238365 . . 107 TYR H . 52228 1 561 . 1 . 1 107 107 TYR C C 13 172.7165 0.0000 . 1 . . 550039 . . 107 TYR C . 52228 1 562 . 1 . 1 107 107 TYR CA C 13 59.3978 0.0000 . 1 . . 550043 . . 107 TYR CA . 52228 1 563 . 1 . 1 107 107 TYR CB C 13 34.4547 0.0000 . 1 . . 550036 . . 107 TYR CB . 52228 1 564 . 1 . 1 107 107 TYR N N 15 124.3495 0.0000 . 1 . . 238367 . . 107 TYR N . 52228 1 565 . 1 . 1 108 108 ALA H H 1 7.9982 0.0000 . 1 . . 247488 . . 108 ALA H . 52228 1 566 . 1 . 1 108 108 ALA C C 13 174.1898 0.0000 . 1 . . 541992 . . 108 ALA C . 52228 1 567 . 1 . 1 108 108 ALA CA C 13 53.4538 0.0000 . 1 . . 541988 . . 108 ALA CA . 52228 1 568 . 1 . 1 108 108 ALA N N 15 122.2478 0.0000 . 1 . . 247490 . . 108 ALA N . 52228 1 569 . 1 . 1 109 109 MET H H 1 9.6014 0.0000 . 1 . . 253035 . . 109 MET H . 52228 1 570 . 1 . 1 109 109 MET C C 13 174.9806 0.0000 . 1 . . 550134 . . 109 MET C . 52228 1 571 . 1 . 1 109 109 MET CA C 13 54.7397 0.0000 . 1 . . 548273 . . 109 MET CA . 52228 1 572 . 1 . 1 109 109 MET CB C 13 30.8290 0.0000 . 1 . . 550142 . . 109 MET CB . 52228 1 573 . 1 . 1 109 109 MET N N 15 128.7289 0.0000 . 1 . . 253037 . . 109 MET N . 52228 1 574 . 1 . 1 110 110 ASP H H 1 8.8591 0.0000 . 1 . . 240000 . . 110 ASP H . 52228 1 575 . 1 . 1 110 110 ASP C C 13 173.3039 0.0000 . 1 . . 550186 . . 110 ASP C . 52228 1 576 . 1 . 1 110 110 ASP CA C 13 53.5664 0.0000 . 1 . . 504272 . . 110 ASP CA . 52228 1 577 . 1 . 1 110 110 ASP N N 15 132.3312 0.0000 . 1 . . 240002 . . 110 ASP N . 52228 1 578 . 1 . 1 111 111 TYR C C 13 176.7663 0.0000 . 1 . . 851495 . . 111 TYR C . 52228 1 579 . 1 . 1 111 111 TYR CA C 13 62.6856 0.0000 . 1 . . 851497 . . 111 TYR CA . 52228 1 580 . 1 . 1 111 111 TYR CB C 13 40.7271 0.0000 . 1 . . 479915 . . 111 TYR CB . 52228 1 581 . 1 . 1 112 112 TRP H H 1 8.4130 0.0000 . 1 . . 479909 . . 112 TRP H . 52228 1 582 . 1 . 1 112 112 TRP C C 13 177.0383 0.0000 . 1 . . 516385 . . 112 TRP C . 52228 1 583 . 1 . 1 112 112 TRP CA C 13 55.6640 0.0000 . 1 . . 516393 . . 112 TRP CA . 52228 1 584 . 1 . 1 112 112 TRP CB C 13 30.2072 0.0000 . 1 . . 516397 . . 112 TRP CB . 52228 1 585 . 1 . 1 112 112 TRP N N 15 121.8504 0.0000 . 1 . . 479911 . . 112 TRP N . 52228 1 586 . 1 . 1 113 113 GLY H H 1 8.4060 0.0000 . 1 . . 258390 . . 113 GLY H . 52228 1 587 . 1 . 1 113 113 GLY C C 13 174.4256 0.0000 . 1 . . 555527 . . 113 GLY C . 52228 1 588 . 1 . 1 113 113 GLY CA C 13 45.0627 0.0000 . 1 . . 480072 . . 113 GLY CA . 52228 1 589 . 1 . 1 113 113 GLY N N 15 110.3549 0.0000 . 1 . . 258392 . . 113 GLY N . 52228 1 590 . 1 . 1 114 114 GLN H H 1 7.8156 0.0000 . 1 . . 238248 . . 114 GLN H . 52228 1 591 . 1 . 1 114 114 GLN C C 13 174.4236 0.0000 . 1 . . 555778 . . 114 GLN C . 52228 1 592 . 1 . 1 114 114 GLN CA C 13 60.3493 0.0000 . 1 . . 555784 . . 114 GLN CA . 52228 1 593 . 1 . 1 114 114 GLN CB C 13 32.0301 0.0000 . 1 . . 555783 . . 114 GLN CB . 52228 1 594 . 1 . 1 114 114 GLN N N 15 125.7112 0.0000 . 1 . . 238250 . . 114 GLN N . 52228 1 595 . 1 . 1 116 116 THR H H 1 8.7700 0.0000 . 1 . . . . . 116 THR H . 52228 1 596 . 1 . 1 116 116 THR C C 13 171.8174 0.0000 . 1 . . 353807 . . 116 THR C . 52228 1 597 . 1 . 1 116 116 THR CA C 13 59.8785 0.0000 . 1 . . 484826 . . 116 THR CA . 52228 1 598 . 1 . 1 116 116 THR CB C 13 70.1653 0.0000 . 1 . . 353810 . . 116 THR CB . 52228 1 599 . 1 . 1 116 116 THR N N 15 118.3800 0.0000 . 1 . . . . . 116 THR N . 52228 1 600 . 1 . 1 117 117 LEU H H 1 8.3878 0.0000 . 1 . . 246219 . . 117 LEU H . 52228 1 601 . 1 . 1 117 117 LEU HD11 H 1 0.7010 0.0000 . 2 . . 454776 . . 117 LEU HD11 . 52228 1 602 . 1 . 1 117 117 LEU HD12 H 1 0.7010 0.0000 . 2 . . 454776 . . 117 LEU HD11 . 52228 1 603 . 1 . 1 117 117 LEU HD13 H 1 0.7010 0.0000 . 2 . . 454776 . . 117 LEU HD11 . 52228 1 604 . 1 . 1 117 117 LEU HD21 H 1 0.7670 0.0000 . 2 . . 762765 . . 117 LEU HD21 . 52228 1 605 . 1 . 1 117 117 LEU HD22 H 1 0.7670 0.0000 . 2 . . 762765 . . 117 LEU HD21 . 52228 1 606 . 1 . 1 117 117 LEU HD23 H 1 0.7670 0.0000 . 2 . . 762765 . . 117 LEU HD21 . 52228 1 607 . 1 . 1 117 117 LEU C C 13 175.8905 0.0000 . 1 . . 353806 . . 117 LEU C . 52228 1 608 . 1 . 1 117 117 LEU CA C 13 55.5721 0.0000 . 1 . . 353815 . . 117 LEU CA . 52228 1 609 . 1 . 1 117 117 LEU CB C 13 41.8177 0.0000 . 1 . . 353816 . . 117 LEU CB . 52228 1 610 . 1 . 1 117 117 LEU CD1 C 13 22.0250 0.0000 . 2 . . 453591 . . 117 LEU CD1 . 52228 1 611 . 1 . 1 117 117 LEU CD2 C 13 25.8890 0.0000 . 2 . . 453255 . . 117 LEU CD2 . 52228 1 612 . 1 . 1 117 117 LEU N N 15 131.9274 0.0000 . 1 . . 246221 . . 117 LEU N . 52228 1 613 . 1 . 1 118 118 VAL H H 1 8.8513 0.0000 . 1 . . 237891 . . 118 VAL H . 52228 1 614 . 1 . 1 118 118 VAL HG11 H 1 0.6570 0.0000 . 2 . . 524306 . . 118 VAL HG11 . 52228 1 615 . 1 . 1 118 118 VAL HG12 H 1 0.6570 0.0000 . 2 . . 524306 . . 118 VAL HG11 . 52228 1 616 . 1 . 1 118 118 VAL HG13 H 1 0.6570 0.0000 . 2 . . 524306 . . 118 VAL HG11 . 52228 1 617 . 1 . 1 118 118 VAL HG21 H 1 0.6440 0.0000 . 2 . . 524306 . . 118 VAL HG21 . 52228 1 618 . 1 . 1 118 118 VAL HG22 H 1 0.6440 0.0000 . 2 . . 524306 . . 118 VAL HG21 . 52228 1 619 . 1 . 1 118 118 VAL HG23 H 1 0.6440 0.0000 . 2 . . 524306 . . 118 VAL HG21 . 52228 1 620 . 1 . 1 118 118 VAL C C 13 173.9560 0.0000 . 1 . . 267963 . . 118 VAL C . 52228 1 621 . 1 . 1 118 118 VAL CA C 13 61.6343 0.0000 . 1 . . 267964 . . 118 VAL CA . 52228 1 622 . 1 . 1 118 118 VAL CB C 13 33.0393 0.0000 . 1 . . 267967 . . 118 VAL CB . 52228 1 623 . 1 . 1 118 118 VAL CG1 C 13 19.8870 0.0000 . 2 . . 453939 . . 118 VAL CG1 . 52228 1 624 . 1 . 1 118 118 VAL CG2 C 13 22.7860 0.0000 . 2 . . 453552 . . 118 VAL CG2 . 52228 1 625 . 1 . 1 118 118 VAL N N 15 129.4164 0.0000 . 1 . . 237893 . . 118 VAL N . 52228 1 626 . 1 . 1 119 119 THR H H 1 8.2412 0.0000 . 1 . . 394232 . . 119 THR H . 52228 1 627 . 1 . 1 119 119 THR C C 13 172.0841 0.0000 . 1 . . 550060 . . 119 THR C . 52228 1 628 . 1 . 1 119 119 THR CA C 13 61.9618 0.0000 . 1 . . 469903 . . 119 THR CA . 52228 1 629 . 1 . 1 119 119 THR N N 15 123.2922 0.0000 . 1 . . 394234 . . 119 THR N . 52228 1 630 . 1 . 1 120 120 VAL H H 1 8.3746 0.0000 . 1 . . 253332 . . 120 VAL H . 52228 1 631 . 1 . 1 120 120 VAL HG11 H 1 0.3710 0.0000 . 2 . . 454986 . . 120 VAL HG11 . 52228 1 632 . 1 . 1 120 120 VAL HG12 H 1 0.3710 0.0000 . 2 . . 454986 . . 120 VAL HG11 . 52228 1 633 . 1 . 1 120 120 VAL HG13 H 1 0.3710 0.0000 . 2 . . 454986 . . 120 VAL HG11 . 52228 1 634 . 1 . 1 120 120 VAL HG21 H 1 0.6670 0.0000 . 2 . . 454836 . . 120 VAL HG21 . 52228 1 635 . 1 . 1 120 120 VAL HG22 H 1 0.6670 0.0000 . 2 . . 454836 . . 120 VAL HG21 . 52228 1 636 . 1 . 1 120 120 VAL HG23 H 1 0.6670 0.0000 . 2 . . 454836 . . 120 VAL HG21 . 52228 1 637 . 1 . 1 120 120 VAL C C 13 175.8472 0.0000 . 1 . . 357726 . . 120 VAL C . 52228 1 638 . 1 . 1 120 120 VAL CA C 13 59.2512 0.0000 . 1 . . 268407 . . 120 VAL CA . 52228 1 639 . 1 . 1 120 120 VAL CB C 13 30.6171 0.0000 . 1 . . 268404 . . 120 VAL CB . 52228 1 640 . 1 . 1 120 120 VAL CG1 C 13 19.9870 0.0000 . 2 . . 456523 . . 120 VAL CG1 . 52228 1 641 . 1 . 1 120 120 VAL CG2 C 13 20.2950 0.0000 . 2 . . 456523 . . 120 VAL CG2 . 52228 1 642 . 1 . 1 120 120 VAL N N 15 127.5370 0.0000 . 1 . . 253334 . . 120 VAL N . 52228 1 643 . 1 . 1 121 121 SER H H 1 8.5305 0.0000 . 1 . . 248175 . . 121 SER H . 52228 1 644 . 1 . 1 121 121 SER C C 13 174.1377 0.0000 . 1 . . 333835 . . 121 SER C . 52228 1 645 . 1 . 1 121 121 SER CA C 13 56.3414 0.0000 . 1 . . 333842 . . 121 SER CA . 52228 1 646 . 1 . 1 121 121 SER CB C 13 63.6488 0.0000 . 1 . . 333839 . . 121 SER CB . 52228 1 647 . 1 . 1 121 121 SER N N 15 118.2816 0.0000 . 1 . . 248177 . . 121 SER N . 52228 1 648 . 1 . 1 122 122 SER H H 1 8.7226 0.0000 . 1 . . 255099 . . 122 SER H . 52228 1 649 . 1 . 1 122 122 SER C C 13 173.9831 0.0000 . 1 . . 322767 . . 122 SER C . 52228 1 650 . 1 . 1 122 122 SER CA C 13 58.1747 0.0000 . 1 . . 322765 . . 122 SER CA . 52228 1 651 . 1 . 1 122 122 SER CB C 13 63.1664 0.0000 . 1 . . 322763 . . 122 SER CB . 52228 1 652 . 1 . 1 122 122 SER N N 15 122.0008 0.0000 . 1 . . 255101 . . 122 SER N . 52228 1 653 . 1 . 1 123 123 ALA H H 1 8.2478 0.0000 . 1 . . 246609 . . 123 ALA H . 52228 1 654 . 1 . 1 123 123 ALA C C 13 175.7326 0.0000 . 1 . . 268733 . . 123 ALA C . 52228 1 655 . 1 . 1 123 123 ALA CA C 13 52.1260 0.0000 . 1 . . 484285 . . 123 ALA CA . 52228 1 656 . 1 . 1 123 123 ALA CB C 13 16.8181 0.0000 . 1 . . 268736 . . 123 ALA CB . 52228 1 657 . 1 . 1 123 123 ALA N N 15 126.6481 0.0000 . 1 . . 246611 . . 123 ALA N . 52228 1 658 . 1 . 1 124 124 SER H H 1 7.4327 0.0000 . 1 . . 257688 . . 124 SER H . 52228 1 659 . 1 . 1 124 124 SER C C 13 173.7196 0.0000 . 1 . . 294153 . . 124 SER C . 52228 1 660 . 1 . 1 124 124 SER CA C 13 56.5400 0.0000 . 1 . . 294155 . . 124 SER CA . 52228 1 661 . 1 . 1 124 124 SER CB C 13 64.3735 0.0000 . 1 . . 294156 . . 124 SER CB . 52228 1 662 . 1 . 1 124 124 SER N N 15 113.3281 0.0000 . 1 . . 257690 . . 124 SER N . 52228 1 663 . 1 . 1 125 125 THR H H 1 8.1316 0.0000 . 1 . . 256620 . . 125 THR H . 52228 1 664 . 1 . 1 125 125 THR C C 13 174.8701 0.0000 . 1 . . 273380 . . 125 THR C . 52228 1 665 . 1 . 1 125 125 THR CA C 13 64.3175 0.0000 . 1 . . 273378 . . 125 THR CA . 52228 1 666 . 1 . 1 125 125 THR CB C 13 68.4841 0.0000 . 1 . . 273387 . . 125 THR CB . 52228 1 667 . 1 . 1 125 125 THR N N 15 117.3031 0.0000 . 1 . . 256622 . . 125 THR N . 52228 1 668 . 1 . 1 126 126 LYS H H 1 9.5212 0.0000 . 1 . . 237906 . . 126 LYS H . 52228 1 669 . 1 . 1 126 126 LYS C C 13 175.1830 0.0000 . 1 . . 268029 . . 126 LYS C . 52228 1 670 . 1 . 1 126 126 LYS CA C 13 55.8360 0.0000 . 1 . . 268035 . . 126 LYS CA . 52228 1 671 . 1 . 1 126 126 LYS CB C 13 35.2196 0.0000 . 1 . . 268033 . . 126 LYS CB . 52228 1 672 . 1 . 1 126 126 LYS N N 15 129.2014 0.0000 . 1 . . 237908 . . 126 LYS N . 52228 1 673 . 1 . 1 127 127 GLY H H 1 8.9872 0.0000 . 1 . . 239706 . . 127 GLY H . 52228 1 674 . 1 . 1 127 127 GLY C C 13 171.0978 0.0000 . 1 . . . . . 127 GLY C . 52228 1 675 . 1 . 1 127 127 GLY CA C 13 44.1268 0.0000 . 1 . . 344513 . . 127 GLY CA . 52228 1 676 . 1 . 1 127 127 GLY N N 15 112.8992 0.0000 . 1 . . 239708 . . 127 GLY N . 52228 1 677 . 1 . 1 128 128 PRO C C 13 177.3516 0.0000 . 1 . . 521051 . . 128 PRO C . 52228 1 678 . 1 . 1 128 128 PRO CA C 13 61.7432 0.0000 . 1 . . 521048 . . 128 PRO CA . 52228 1 679 . 1 . 1 128 128 PRO CB C 13 32.2462 0.0000 . 1 . . 521039 . . 128 PRO CB . 52228 1 680 . 1 . 1 129 129 SER H H 1 8.4975 0.0000 . 1 . . 521023 . . 129 SER H . 52228 1 681 . 1 . 1 129 129 SER C C 13 171.9940 0.0000 . 1 . . 524715 . . 129 SER C . 52228 1 682 . 1 . 1 129 129 SER CA C 13 57.8159 0.0000 . 1 . . 504439 . . 129 SER CA . 52228 1 683 . 1 . 1 129 129 SER CB C 13 64.2554 0.0000 . 1 . . 524719 . . 129 SER CB . 52228 1 684 . 1 . 1 129 129 SER N N 15 115.6962 0.0000 . 1 . . 521025 . . 129 SER N . 52228 1 685 . 1 . 1 130 130 VAL H H 1 7.9722 0.0000 . 1 . . 240915 . . 130 VAL H . 52228 1 686 . 1 . 1 130 130 VAL HG11 H 1 0.5700 0.0000 . 2 . . 762768 . . 130 VAL HG11 . 52228 1 687 . 1 . 1 130 130 VAL HG12 H 1 0.5700 0.0000 . 2 . . 762768 . . 130 VAL HG11 . 52228 1 688 . 1 . 1 130 130 VAL HG13 H 1 0.5700 0.0000 . 2 . . 762768 . . 130 VAL HG11 . 52228 1 689 . 1 . 1 130 130 VAL HG21 H 1 0.5530 0.0000 . 2 . . 454923 . . 130 VAL HG21 . 52228 1 690 . 1 . 1 130 130 VAL HG22 H 1 0.5530 0.0000 . 2 . . 454923 . . 130 VAL HG21 . 52228 1 691 . 1 . 1 130 130 VAL HG23 H 1 0.5530 0.0000 . 2 . . 454923 . . 130 VAL HG21 . 52228 1 692 . 1 . 1 130 130 VAL C C 13 173.7967 0.0000 . 1 . . 524731 . . 130 VAL C . 52228 1 693 . 1 . 1 130 130 VAL CA C 13 60.3327 0.0000 . 1 . . 354220 . . 130 VAL CA . 52228 1 694 . 1 . 1 130 130 VAL CB C 13 32.4063 0.0000 . 1 . . 524735 . . 130 VAL CB . 52228 1 695 . 1 . 1 130 130 VAL CG1 C 13 21.4520 0.0000 . 2 . . 453669 . . 130 VAL CG1 . 52228 1 696 . 1 . 1 130 130 VAL CG2 C 13 21.2220 0.0000 . 2 . . 453669 . . 130 VAL CG2 . 52228 1 697 . 1 . 1 130 130 VAL N N 15 123.0779 0.0000 . 1 . . 240917 . . 130 VAL N . 52228 1 698 . 1 . 1 131 131 PHE H H 1 9.2047 0.0000 . 1 . . 253986 . . 131 PHE H . 52228 1 699 . 1 . 1 131 131 PHE C C 13 173.1967 0.0000 . 1 . . 524362 . . 131 PHE C . 52228 1 700 . 1 . 1 131 131 PHE CA C 13 52.4415 0.0000 . 1 . . 489990 . . 131 PHE CA . 52228 1 701 . 1 . 1 131 131 PHE CB C 13 40.2555 0.0000 . 1 . . 269475 . . 131 PHE CB . 52228 1 702 . 1 . 1 131 131 PHE N N 15 125.0754 0.0000 . 1 . . 253988 . . 131 PHE N . 52228 1 703 . 1 . 1 132 132 PRO C C 13 176.1729 0.0000 . 1 . . 317412 . . 132 PRO C . 52228 1 704 . 1 . 1 132 132 PRO CA C 13 62.6055 0.0000 . 1 . . 317415 . . 132 PRO CA . 52228 1 705 . 1 . 1 132 132 PRO CB C 13 32.8735 0.0000 . 1 . . 317413 . . 132 PRO CB . 52228 1 706 . 1 . 1 133 133 LEU H H 1 8.4055 0.0000 . 1 . . 246954 . . 133 LEU H . 52228 1 707 . 1 . 1 133 133 LEU HD11 H 1 0.2830 0.0000 . 2 . . 455019 . . 133 LEU HD11 . 52228 1 708 . 1 . 1 133 133 LEU HD12 H 1 0.2830 0.0000 . 2 . . 455019 . . 133 LEU HD11 . 52228 1 709 . 1 . 1 133 133 LEU HD13 H 1 0.2830 0.0000 . 2 . . 455019 . . 133 LEU HD11 . 52228 1 710 . 1 . 1 133 133 LEU HD21 H 1 0.5230 0.0000 . 2 . . 454938 . . 133 LEU HD21 . 52228 1 711 . 1 . 1 133 133 LEU HD22 H 1 0.5230 0.0000 . 2 . . 454938 . . 133 LEU HD21 . 52228 1 712 . 1 . 1 133 133 LEU HD23 H 1 0.5230 0.0000 . 2 . . 454938 . . 133 LEU HD21 . 52228 1 713 . 1 . 1 133 133 LEU C C 13 173.9514 0.0000 . 1 . . 449721 . . 133 LEU C . 52228 1 714 . 1 . 1 133 133 LEU CA C 13 52.7107 0.0000 . 1 . . 449729 . . 133 LEU CA . 52228 1 715 . 1 . 1 133 133 LEU CB C 13 37.8961 0.0000 . 1 . . 449731 . . 133 LEU CB . 52228 1 716 . 1 . 1 133 133 LEU CD1 C 13 24.9360 0.0000 . 2 . . 838491 . . 133 LEU CD1 . 52228 1 717 . 1 . 1 133 133 LEU CD2 C 13 23.9650 0.0000 . 2 . . 453414 . . 133 LEU CD2 . 52228 1 718 . 1 . 1 133 133 LEU N N 15 124.4164 0.0000 . 1 . . 246956 . . 133 LEU N . 52228 1 719 . 1 . 1 134 134 ALA H H 1 7.9912 0.0000 . 1 . . 318101 . . 134 ALA H . 52228 1 720 . 1 . 1 134 134 ALA C C 13 175.0694 0.0000 . 1 . . 449013 . . 134 ALA C . 52228 1 721 . 1 . 1 134 134 ALA CA C 13 49.6186 0.0000 . 1 . . 449020 . . 134 ALA CA . 52228 1 722 . 1 . 1 134 134 ALA CB C 13 18.8980 0.0000 . 1 . . 449019 . . 134 ALA CB . 52228 1 723 . 1 . 1 134 134 ALA N N 15 124.0326 0.0000 . 1 . . 318103 . . 134 ALA N . 52228 1 724 . 1 . 1 135 135 PRO CA C 13 62.8180 0.0000 . 1 . . 481765 . . 135 PRO CA . 52228 1 725 . 1 . 1 135 135 PRO CB C 13 31.2926 0.0000 . 1 . . 481766 . . 135 PRO CB . 52228 1 726 . 1 . 1 136 136 SER H H 1 8.3144 0.0000 . 1 . . 239397 . . 136 SER H . 52228 1 727 . 1 . 1 136 136 SER C C 13 174.7675 0.0000 . 1 . . 761839 . . 136 SER C . 52228 1 728 . 1 . 1 136 136 SER CA C 13 58.1151 0.0000 . 1 . . 761841 . . 136 SER CA . 52228 1 729 . 1 . 1 136 136 SER N N 15 115.8828 0.0000 . 1 . . 239399 . . 136 SER N . 52228 1 730 . 1 . 1 137 137 SER H H 1 8.2406 0.0000 . 1 . . 239271 . . 137 SER H . 52228 1 731 . 1 . 1 137 137 SER C C 13 175.6254 0.0000 . 1 . . 761769 . . 137 SER C . 52228 1 732 . 1 . 1 137 137 SER CA C 13 60.1837 0.0000 . 1 . . 271971 . . 137 SER CA . 52228 1 733 . 1 . 1 137 137 SER CB C 13 62.5654 0.0000 . 1 . . 761771 . . 137 SER CB . 52228 1 734 . 1 . 1 137 137 SER N N 15 117.3404 0.0000 . 1 . . 239273 . . 137 SER N . 52228 1 735 . 1 . 1 138 138 LYS H H 1 8.3107 0.0000 . 1 . . 255699 . . 138 LYS H . 52228 1 736 . 1 . 1 138 138 LYS C C 13 176.9463 0.0000 . 1 . . 469318 . . 138 LYS C . 52228 1 737 . 1 . 1 138 138 LYS CA C 13 56.1667 0.0000 . 1 . . 469320 . . 138 LYS CA . 52228 1 738 . 1 . 1 138 138 LYS CB C 13 31.3599 0.0000 . 1 . . 469324 . . 138 LYS CB . 52228 1 739 . 1 . 1 138 138 LYS N N 15 120.3668 0.0000 . 1 . . 255701 . . 138 LYS N . 52228 1 740 . 1 . 1 139 139 SER H H 1 8.1179 0.0000 . 1 . . 469355 . . 139 SER H . 52228 1 741 . 1 . 1 139 139 SER C C 13 173.8880 0.0000 . 1 . . 548322 . . 139 SER C . 52228 1 742 . 1 . 1 139 139 SER CA C 13 57.5993 0.0000 . 1 . . 536901 . . 139 SER CA . 52228 1 743 . 1 . 1 139 139 SER CB C 13 63.2939 0.0000 . 1 . . 548324 . . 139 SER CB . 52228 1 744 . 1 . 1 139 139 SER N N 15 115.4921 0.0000 . 1 . . 469357 . . 139 SER N . 52228 1 745 . 1 . 1 140 140 THR H H 1 7.6872 0.0000 . 1 . . 239541 . . 140 THR H . 52228 1 746 . 1 . 1 140 140 THR C C 13 174.5336 0.0000 . 1 . . 848440 . . 140 THR C . 52228 1 747 . 1 . 1 140 140 THR CA C 13 61.3045 0.0000 . 1 . . 274318 . . 140 THR CA . 52228 1 748 . 1 . 1 140 140 THR CB C 13 69.8039 0.0000 . 1 . . 848444 . . 140 THR CB . 52228 1 749 . 1 . 1 140 140 THR N N 15 114.7066 0.0000 . 1 . . 239543 . . 140 THR N . 52228 1 750 . 1 . 1 141 141 SER H H 1 8.6248 0.0000 . 1 . . 848341 . . 141 SER H . 52228 1 751 . 1 . 1 141 141 SER C C 13 175.2993 0.0000 . 1 . . 848363 . . 141 SER C . 52228 1 752 . 1 . 1 141 141 SER CA C 13 57.7653 0.0000 . 1 . . 848345 . . 141 SER CA . 52228 1 753 . 1 . 1 141 141 SER N N 15 118.4905 0.0000 . 1 . . 848343 . . 141 SER N . 52228 1 754 . 1 . 1 142 142 GLY H H 1 8.7204 0.0000 . 1 . . 239595 . . 142 GLY H . 52228 1 755 . 1 . 1 142 142 GLY C C 13 175.2094 0.0000 . 1 . . . . . 142 GLY C . 52228 1 756 . 1 . 1 142 142 GLY CA C 13 45.9580 0.0000 . 1 . . 341320 . . 142 GLY CA . 52228 1 757 . 1 . 1 142 142 GLY N N 15 113.7616 0.0000 . 1 . . 239597 . . 142 GLY N . 52228 1 758 . 1 . 1 143 143 GLY H H 1 8.5353 0.0000 . 1 . . 239856 . . 143 GLY H . 52228 1 759 . 1 . 1 143 143 GLY C C 13 174.9072 0.0000 . 1 . . 848470 . . 143 GLY C . 52228 1 760 . 1 . 1 143 143 GLY CA C 13 45.3008 0.0000 . 1 . . 848478 . . 143 GLY CA . 52228 1 761 . 1 . 1 143 143 GLY N N 15 109.2698 0.0000 . 1 . . 239858 . . 143 GLY N . 52228 1 762 . 1 . 1 144 144 THR H H 1 8.1085 0.0000 . 1 . . 251412 . . 144 THR H . 52228 1 763 . 1 . 1 144 144 THR C C 13 172.1800 0.0000 . 1 . . 516970 . . 144 THR C . 52228 1 764 . 1 . 1 144 144 THR CA C 13 61.5281 0.0000 . 1 . . 516977 . . 144 THR CA . 52228 1 765 . 1 . 1 144 144 THR CB C 13 70.9928 0.0000 . 1 . . 516974 . . 144 THR CB . 52228 1 766 . 1 . 1 144 144 THR N N 15 117.9018 0.0000 . 1 . . 251414 . . 144 THR N . 52228 1 767 . 1 . 1 145 145 ALA H H 1 9.3378 0.0000 . 1 . . 253308 . . 145 ALA H . 52228 1 768 . 1 . 1 145 145 ALA C C 13 174.1540 0.0000 . 1 . . 268542 . . 145 ALA C . 52228 1 769 . 1 . 1 145 145 ALA CA C 13 49.8200 0.0000 . 1 . . 268547 . . 145 ALA CA . 52228 1 770 . 1 . 1 145 145 ALA CB C 13 21.9414 0.0000 . 1 . . 268543 . . 145 ALA CB . 52228 1 771 . 1 . 1 145 145 ALA N N 15 127.1147 0.0000 . 1 . . 253310 . . 145 ALA N . 52228 1 772 . 1 . 1 146 146 ALA H H 1 7.3381 0.0000 . 1 . . 255852 . . 146 ALA H . 52228 1 773 . 1 . 1 146 146 ALA C C 13 174.9536 0.0000 . 1 . . 330444 . . 146 ALA C . 52228 1 774 . 1 . 1 146 146 ALA CA C 13 49.2566 0.0000 . 1 . . 330450 . . 146 ALA CA . 52228 1 775 . 1 . 1 146 146 ALA CB C 13 19.9256 0.0000 . 1 . . 330481 . . 146 ALA CB . 52228 1 776 . 1 . 1 146 146 ALA N N 15 120.0800 0.0000 . 1 . . 255854 . . 146 ALA N . 52228 1 777 . 1 . 1 147 147 LEU H H 1 8.3904 0.0000 . 1 . . 847775 . . 147 LEU H . 52228 1 778 . 1 . 1 147 147 LEU HD11 H 1 0.2650 0.0000 . 2 . . . . . 147 LEU HD11 . 52228 1 779 . 1 . 1 147 147 LEU HD12 H 1 0.2650 0.0000 . 2 . . . . . 147 LEU HD11 . 52228 1 780 . 1 . 1 147 147 LEU HD13 H 1 0.2650 0.0000 . 2 . . . . . 147 LEU HD11 . 52228 1 781 . 1 . 1 147 147 LEU HD21 H 1 0.2650 0.0000 . 2 . . . . . 147 LEU HD21 . 52228 1 782 . 1 . 1 147 147 LEU HD22 H 1 0.2650 0.0000 . 2 . . . . . 147 LEU HD21 . 52228 1 783 . 1 . 1 147 147 LEU HD23 H 1 0.2650 0.0000 . 2 . . . . . 147 LEU HD21 . 52228 1 784 . 1 . 1 147 147 LEU C C 13 174.9595 0.0000 . 1 . . 516594 . . 147 LEU C . 52228 1 785 . 1 . 1 147 147 LEU CA C 13 53.2149 0.0000 . 1 . . 277401 . . 147 LEU CA . 52228 1 786 . 1 . 1 147 147 LEU CB C 13 43.7983 0.0000 . 1 . . 277399 . . 147 LEU CB . 52228 1 787 . 1 . 1 147 147 LEU CD1 C 13 26.8400 0.0000 . 2 . . . . . 147 LEU CD1 . 52228 1 788 . 1 . 1 147 147 LEU CD2 C 13 26.7890 0.0000 . 2 . . . . . 147 LEU CD2 . 52228 1 789 . 1 . 1 147 147 LEU N N 15 116.9506 0.0000 . 1 . . 847777 . . 147 LEU N . 52228 1 790 . 1 . 1 148 148 GLY H H 1 8.8749 0.0000 . 1 . . 243279 . . 148 GLY H . 52228 1 791 . 1 . 1 148 148 GLY C C 13 171.7862 0.0000 . 1 . . 277396 . . 148 GLY C . 52228 1 792 . 1 . 1 148 148 GLY CA C 13 48.3377 0.0000 . 1 . . 277400 . . 148 GLY CA . 52228 1 793 . 1 . 1 148 148 GLY N N 15 104.8069 0.0000 . 1 . . 243281 . . 148 GLY N . 52228 1 794 . 1 . 1 149 149 CYS H H 1 9.5478 0.0000 . 1 . . 239247 . . 149 CYS H . 52228 1 795 . 1 . 1 149 149 CYS C C 13 171.2346 0.0000 . 1 . . 336069 . . 149 CYS C . 52228 1 796 . 1 . 1 149 149 CYS CA C 13 54.2485 0.0000 . 1 . . 336076 . . 149 CYS CA . 52228 1 797 . 1 . 1 149 149 CYS CB C 13 46.0639 0.0000 . 1 . . 336075 . . 149 CYS CB . 52228 1 798 . 1 . 1 149 149 CYS N N 15 117.4771 0.0000 . 1 . . 239249 . . 149 CYS N . 52228 1 799 . 1 . 1 150 150 LEU H H 1 9.4684 0.0000 . 1 . . 238095 . . 150 LEU H . 52228 1 800 . 1 . 1 150 150 LEU HD11 H 1 0.7300 0.0000 . 2 . . 762771 . . 150 LEU HD11 . 52228 1 801 . 1 . 1 150 150 LEU HD12 H 1 0.7300 0.0000 . 2 . . 762771 . . 150 LEU HD11 . 52228 1 802 . 1 . 1 150 150 LEU HD13 H 1 0.7300 0.0000 . 2 . . 762771 . . 150 LEU HD11 . 52228 1 803 . 1 . 1 150 150 LEU HD21 H 1 0.7810 0.0000 . 2 . . 762771 . . 150 LEU HD21 . 52228 1 804 . 1 . 1 150 150 LEU HD22 H 1 0.7810 0.0000 . 2 . . 762771 . . 150 LEU HD21 . 52228 1 805 . 1 . 1 150 150 LEU HD23 H 1 0.7810 0.0000 . 2 . . 762771 . . 150 LEU HD21 . 52228 1 806 . 1 . 1 150 150 LEU C C 13 173.7195 0.0000 . 1 . . 268556 . . 150 LEU C . 52228 1 807 . 1 . 1 150 150 LEU CA C 13 54.0349 0.0000 . 1 . . 415711 . . 150 LEU CA . 52228 1 808 . 1 . 1 150 150 LEU CB C 13 42.9322 0.0000 . 1 . . 268557 . . 150 LEU CB . 52228 1 809 . 1 . 1 150 150 LEU CD1 C 13 22.9560 0.0000 . 2 . . 453531 . . 150 LEU CD1 . 52228 1 810 . 1 . 1 150 150 LEU CD2 C 13 25.8660 0.0000 . 2 . . 453252 . . 150 LEU CD2 . 52228 1 811 . 1 . 1 150 150 LEU N N 15 127.1338 0.0000 . 1 . . 238097 . . 150 LEU N . 52228 1 812 . 1 . 1 151 151 VAL H H 1 9.3908 0.0000 . 1 . . 415505 . . 151 VAL H . 52228 1 813 . 1 . 1 151 151 VAL HG11 H 1 0.5530 0.0000 . 2 . . 454905 . . 151 VAL HG11 . 52228 1 814 . 1 . 1 151 151 VAL HG12 H 1 0.5530 0.0000 . 2 . . 454905 . . 151 VAL HG11 . 52228 1 815 . 1 . 1 151 151 VAL HG13 H 1 0.5530 0.0000 . 2 . . 454905 . . 151 VAL HG11 . 52228 1 816 . 1 . 1 151 151 VAL HG21 H 1 0.6610 0.0000 . 2 . . 454797 . . 151 VAL HG21 . 52228 1 817 . 1 . 1 151 151 VAL HG22 H 1 0.6610 0.0000 . 2 . . 454797 . . 151 VAL HG21 . 52228 1 818 . 1 . 1 151 151 VAL HG23 H 1 0.6610 0.0000 . 2 . . 454797 . . 151 VAL HG21 . 52228 1 819 . 1 . 1 151 151 VAL C C 13 173.6813 0.0000 . 1 . . 415583 . . 151 VAL C . 52228 1 820 . 1 . 1 151 151 VAL CA C 13 61.4230 0.0000 . 1 . . 415694 . . 151 VAL CA . 52228 1 821 . 1 . 1 151 151 VAL CB C 13 30.2416 0.0000 . 1 . . 415585 . . 151 VAL CB . 52228 1 822 . 1 . 1 151 151 VAL CG1 C 13 23.1500 0.0000 . 2 . . 453846 . . 151 VAL CG1 . 52228 1 823 . 1 . 1 151 151 VAL CG2 C 13 20.7190 0.0000 . 2 . . 453468 . . 151 VAL CG2 . 52228 1 824 . 1 . 1 151 151 VAL N N 15 129.3181 0.0000 . 1 . . 415507 . . 151 VAL N . 52228 1 825 . 1 . 1 152 152 LYS H H 1 8.8574 0.0000 . 1 . . 840453 . . 152 LYS H . 52228 1 826 . 1 . 1 152 152 LYS C C 13 174.7485 0.0000 . 1 . . 311968 . . 152 LYS C . 52228 1 827 . 1 . 1 152 152 LYS CA C 13 55.9193 0.0000 . 1 . . 311970 . . 152 LYS CA . 52228 1 828 . 1 . 1 152 152 LYS CB C 13 36.7866 0.0000 . 1 . . 485888 . . 152 LYS CB . 52228 1 829 . 1 . 1 152 152 LYS N N 15 126.3160 0.0000 . 1 . . 840455 . . 152 LYS N . 52228 1 830 . 1 . 1 153 153 ASP H H 1 8.3700 0.0000 . 1 . . . . . 153 ASP H . 52228 1 831 . 1 . 1 153 153 ASP C C 13 172.2017 0.0000 . 1 . . . . . 153 ASP C . 52228 1 832 . 1 . 1 153 153 ASP CA C 13 55.3662 0.0000 . 1 . . 762458 . . 153 ASP CA . 52228 1 833 . 1 . 1 153 153 ASP CB C 13 36.6478 0.0000 . 1 . . 485889 . . 153 ASP CB . 52228 1 834 . 1 . 1 153 153 ASP N N 15 120.2700 0.0000 . 1 . . . . . 153 ASP N . 52228 1 835 . 1 . 1 154 154 TYR H H 1 7.7395 0.0000 . 1 . . 239646 . . 154 TYR H . 52228 1 836 . 1 . 1 154 154 TYR C C 13 173.9130 0.0000 . 1 . . 478580 . . 154 TYR C . 52228 1 837 . 1 . 1 154 154 TYR CA C 13 54.2079 0.0000 . 1 . . 478584 . . 154 TYR CA . 52228 1 838 . 1 . 1 154 154 TYR CB C 13 41.5350 0.0000 . 1 . . 478585 . . 154 TYR CB . 52228 1 839 . 1 . 1 154 154 TYR N N 15 113.4530 0.0000 . 1 . . 239648 . . 154 TYR N . 52228 1 840 . 1 . 1 155 155 PHE H H 1 9.2692 0.0000 . 1 . . 255768 . . 155 PHE H . 52228 1 841 . 1 . 1 155 155 PHE C C 13 173.3394 0.0000 . 1 . . 485890 . . 155 PHE C . 52228 1 842 . 1 . 1 155 155 PHE CA C 13 57.6657 0.0000 . 1 . . 272159 . . 155 PHE CA . 52228 1 843 . 1 . 1 155 155 PHE CB C 13 42.6355 0.0000 . 1 . . 272161 . . 155 PHE CB . 52228 1 844 . 1 . 1 155 155 PHE N N 15 120.1484 0.0000 . 1 . . 255770 . . 155 PHE N . 52228 1 845 . 1 . 1 157 157 GLU H H 1 8.6000 0.0000 . 1 . . . . . 157 GLU H . 52228 1 846 . 1 . 1 157 157 GLU N N 15 120.9900 0.0000 . 1 . . . . . 157 GLU N . 52228 1 847 . 1 . 1 158 158 PRO C C 13 176.2980 0.0000 . 1 . . 483595 . . 158 PRO C . 52228 1 848 . 1 . 1 158 158 PRO CA C 13 61.7242 0.0000 . 1 . . 483598 . . 158 PRO CA . 52228 1 849 . 1 . 1 158 158 PRO CB C 13 34.1728 0.0000 . 1 . . 483599 . . 158 PRO CB . 52228 1 850 . 1 . 1 159 159 VAL H H 1 7.9194 0.0000 . 1 . . 257025 . . 159 VAL H . 52228 1 851 . 1 . 1 159 159 VAL HG11 H 1 0.2900 0.0000 . 2 . . 762774 . . 159 VAL HG11 . 52228 1 852 . 1 . 1 159 159 VAL HG12 H 1 0.2900 0.0000 . 2 . . 762774 . . 159 VAL HG11 . 52228 1 853 . 1 . 1 159 159 VAL HG13 H 1 0.2900 0.0000 . 2 . . 762774 . . 159 VAL HG11 . 52228 1 854 . 1 . 1 159 159 VAL HG21 H 1 0.2660 0.0000 . 2 . . 762774 . . 159 VAL HG21 . 52228 1 855 . 1 . 1 159 159 VAL HG22 H 1 0.2660 0.0000 . 2 . . 762774 . . 159 VAL HG21 . 52228 1 856 . 1 . 1 159 159 VAL HG23 H 1 0.2660 0.0000 . 2 . . 762774 . . 159 VAL HG21 . 52228 1 857 . 1 . 1 159 159 VAL C C 13 174.6492 0.0000 . 1 . . 483596 . . 159 VAL C . 52228 1 858 . 1 . 1 159 159 VAL CA C 13 59.7928 0.0000 . 1 . . 483603 . . 159 VAL CA . 52228 1 859 . 1 . 1 159 159 VAL CB C 13 34.2312 0.0000 . 1 . . 483638 . . 159 VAL CB . 52228 1 860 . 1 . 1 159 159 VAL CG1 C 13 21.0360 0.0000 . 2 . . 456529 . . 159 VAL CG1 . 52228 1 861 . 1 . 1 159 159 VAL CG2 C 13 21.2680 0.0000 . 2 . . 456529 . . 159 VAL CG2 . 52228 1 862 . 1 . 1 159 159 VAL N N 15 115.6657 0.0000 . 1 . . 257027 . . 159 VAL N . 52228 1 863 . 1 . 1 160 160 THR H H 1 8.3687 0.0000 . 1 . . 248448 . . 160 THR H . 52228 1 864 . 1 . 1 160 160 THR C C 13 173.5118 0.0000 . 1 . . 483728 . . 160 THR C . 52228 1 865 . 1 . 1 160 160 THR CA C 13 60.3282 0.0000 . 1 . . 483740 . . 160 THR CA . 52228 1 866 . 1 . 1 160 160 THR CB C 13 70.3367 0.0000 . 1 . . 483732 . . 160 THR CB . 52228 1 867 . 1 . 1 160 160 THR N N 15 116.5437 0.0000 . 1 . . 248450 . . 160 THR N . 52228 1 868 . 1 . 1 161 161 VAL H H 1 8.6947 0.0000 . 1 . . 254364 . . 161 VAL H . 52228 1 869 . 1 . 1 161 161 VAL HG11 H 1 0.5340 0.0000 . 2 . . 762792 . . 161 VAL HG11 . 52228 1 870 . 1 . 1 161 161 VAL HG12 H 1 0.5340 0.0000 . 2 . . 762792 . . 161 VAL HG11 . 52228 1 871 . 1 . 1 161 161 VAL HG13 H 1 0.5340 0.0000 . 2 . . 762792 . . 161 VAL HG11 . 52228 1 872 . 1 . 1 161 161 VAL HG21 H 1 0.7360 0.0000 . 2 . . 454920 . . 161 VAL HG21 . 52228 1 873 . 1 . 1 161 161 VAL HG22 H 1 0.7360 0.0000 . 2 . . 454920 . . 161 VAL HG21 . 52228 1 874 . 1 . 1 161 161 VAL HG23 H 1 0.7360 0.0000 . 2 . . 454920 . . 161 VAL HG21 . 52228 1 875 . 1 . 1 161 161 VAL C C 13 175.1894 0.0000 . 1 . . 270007 . . 161 VAL C . 52228 1 876 . 1 . 1 161 161 VAL CA C 13 60.5191 0.0000 . 1 . . 270655 . . 161 VAL CA . 52228 1 877 . 1 . 1 161 161 VAL CB C 13 33.4795 0.0000 . 1 . . 270010 . . 161 VAL CB . 52228 1 878 . 1 . 1 161 161 VAL CG1 C 13 20.9950 0.0000 . 2 . . 456541 . . 161 VAL CG1 . 52228 1 879 . 1 . 1 161 161 VAL CG2 C 13 21.8520 0.0000 . 2 . . 453603 . . 161 VAL CG2 . 52228 1 880 . 1 . 1 161 161 VAL N N 15 123.7000 0.0000 . 1 . . 254366 . . 161 VAL N . 52228 1 881 . 1 . 1 162 162 SER H H 1 8.8565 0.0000 . 1 . . 238665 . . 162 SER H . 52228 1 882 . 1 . 1 162 162 SER C C 13 170.9538 0.0000 . 1 . . 270645 . . 162 SER C . 52228 1 883 . 1 . 1 162 162 SER CA C 13 56.0379 0.0000 . 1 . . 270652 . . 162 SER CA . 52228 1 884 . 1 . 1 162 162 SER CB C 13 66.2476 0.0000 . 1 . . 270650 . . 162 SER CB . 52228 1 885 . 1 . 1 162 162 SER N N 15 122.6209 0.0000 . 1 . . 238667 . . 162 SER N . 52228 1 886 . 1 . 1 163 163 TRP H H 1 9.2086 0.0000 . 1 . . 239016 . . 163 TRP H . 52228 1 887 . 1 . 1 163 163 TRP C C 13 177.4980 0.0000 . 1 . . 272568 . . 163 TRP C . 52228 1 888 . 1 . 1 163 163 TRP CA C 13 56.1085 0.0000 . 1 . . 272569 . . 163 TRP CA . 52228 1 889 . 1 . 1 163 163 TRP CB C 13 30.7239 0.0000 . 1 . . 272570 . . 163 TRP CB . 52228 1 890 . 1 . 1 163 163 TRP N N 15 119.5161 0.0000 . 1 . . 239018 . . 163 TRP N . 52228 1 891 . 1 . 1 164 164 ASN H H 1 10.4516 0.0000 . 1 . . 238293 . . 164 ASN H . 52228 1 892 . 1 . 1 164 164 ASN CA C 13 53.6717 0.0000 . 1 . . 269238 . . 164 ASN CA . 52228 1 893 . 1 . 1 164 164 ASN CB C 13 35.5711 0.0000 . 1 . . 269239 . . 164 ASN CB . 52228 1 894 . 1 . 1 164 164 ASN N N 15 125.4450 0.0000 . 1 . . 238295 . . 164 ASN N . 52228 1 895 . 1 . 1 165 165 SER H H 1 9.7000 0.0000 . 1 . . . . . 165 SER H . 52228 1 896 . 1 . 1 165 165 SER C C 13 174.6176 0.0000 . 1 . . . . . 165 SER C . 52228 1 897 . 1 . 1 165 165 SER CA C 13 58.6010 0.0000 . 1 . . 526305 . . 165 SER CA . 52228 1 898 . 1 . 1 165 165 SER CB C 13 60.7511 0.0000 . 1 . . 526305 . . 165 SER CB . 52228 1 899 . 1 . 1 165 165 SER N N 15 111.7900 0.0000 . 1 . . . . . 165 SER N . 52228 1 900 . 1 . 1 166 166 GLY H H 1 7.8246 0.0000 . 1 . . 487010 . . 166 GLY H . 52228 1 901 . 1 . 1 166 166 GLY C C 13 174.3246 0.0000 . 1 . . 535790 . . 166 GLY C . 52228 1 902 . 1 . 1 166 166 GLY CA C 13 43.9300 0.0000 . 1 . . 526293 . . 166 GLY CA . 52228 1 903 . 1 . 1 166 166 GLY N N 15 105.5256 0.0000 . 1 . . 487012 . . 166 GLY N . 52228 1 904 . 1 . 1 167 167 ALA H H 1 7.7299 0.0000 . 1 . . 255516 . . 167 ALA H . 52228 1 905 . 1 . 1 167 167 ALA C C 13 177.3742 0.0000 . 1 . . 271639 . . 167 ALA C . 52228 1 906 . 1 . 1 167 167 ALA CA C 13 52.9693 0.0000 . 1 . . 271642 . . 167 ALA CA . 52228 1 907 . 1 . 1 167 167 ALA CB C 13 18.5822 0.0000 . 1 . . 271637 . . 167 ALA CB . 52228 1 908 . 1 . 1 167 167 ALA N N 15 120.8357 0.0000 . 1 . . 255518 . . 167 ALA N . 52228 1 909 . 1 . 1 168 168 LEU H H 1 7.1941 0.0000 . 1 . . 256080 . . 168 LEU H . 52228 1 910 . 1 . 1 168 168 LEU HD11 H 1 0.9910 0.0000 . 2 . . 454515 . . 168 LEU HD11 . 52228 1 911 . 1 . 1 168 168 LEU HD12 H 1 0.9910 0.0000 . 2 . . 454515 . . 168 LEU HD11 . 52228 1 912 . 1 . 1 168 168 LEU HD13 H 1 0.9910 0.0000 . 2 . . 454515 . . 168 LEU HD11 . 52228 1 913 . 1 . 1 168 168 LEU HD21 H 1 0.8140 0.0000 . 2 . . 454770 . . 168 LEU HD21 . 52228 1 914 . 1 . 1 168 168 LEU HD22 H 1 0.8140 0.0000 . 2 . . 454770 . . 168 LEU HD21 . 52228 1 915 . 1 . 1 168 168 LEU HD23 H 1 0.8140 0.0000 . 2 . . 454770 . . 168 LEU HD21 . 52228 1 916 . 1 . 1 168 168 LEU C C 13 174.4232 0.0000 . 1 . . 272584 . . 168 LEU C . 52228 1 917 . 1 . 1 168 168 LEU CA C 13 54.0391 0.0000 . 1 . . 272591 . . 168 LEU CA . 52228 1 918 . 1 . 1 168 168 LEU CB C 13 41.7491 0.0000 . 1 . . 272586 . . 168 LEU CB . 52228 1 919 . 1 . 1 168 168 LEU CD1 C 13 23.7390 0.0000 . 2 . . 453453 . . 168 LEU CD1 . 52228 1 920 . 1 . 1 168 168 LEU CD2 C 13 26.1640 0.0000 . 2 . . 453276 . . 168 LEU CD2 . 52228 1 921 . 1 . 1 168 168 LEU N N 15 119.2049 0.0000 . 1 . . 256082 . . 168 LEU N . 52228 1 922 . 1 . 1 169 169 THR H H 1 8.6063 0.0000 . 1 . . 257517 . . 169 THR H . 52228 1 923 . 1 . 1 169 169 THR C C 13 175.2903 0.0000 . 1 . . 274541 . . 169 THR C . 52228 1 924 . 1 . 1 169 169 THR CA C 13 61.2128 0.0000 . 1 . . 274538 . . 169 THR CA . 52228 1 925 . 1 . 1 169 169 THR CB C 13 69.8890 0.0000 . 1 . . 274539 . . 169 THR CB . 52228 1 926 . 1 . 1 169 169 THR N N 15 114.1581 0.0000 . 1 . . 257519 . . 169 THR N . 52228 1 927 . 1 . 1 170 170 SER H H 1 8.0726 0.0000 . 1 . . 255753 . . 170 SER H . 52228 1 928 . 1 . 1 170 170 SER C C 13 174.6825 0.0000 . 1 . . 330127 . . 170 SER C . 52228 1 929 . 1 . 1 170 170 SER CA C 13 58.3208 0.0000 . 1 . . 330124 . . 170 SER CA . 52228 1 930 . 1 . 1 170 170 SER CB C 13 62.7960 0.0000 . 1 . . 330122 . . 170 SER CB . 52228 1 931 . 1 . 1 170 170 SER N N 15 120.0715 0.0000 . 1 . . 255755 . . 170 SER N . 52228 1 932 . 1 . 1 171 171 GLY H H 1 8.6242 0.0000 . 1 . . 257883 . . 171 GLY H . 52228 1 933 . 1 . 1 171 171 GLY C C 13 173.4520 0.0000 . 1 . . 838361 . . 171 GLY C . 52228 1 934 . 1 . 1 171 171 GLY CA C 13 45.3272 0.0000 . 1 . . 344562 . . 171 GLY CA . 52228 1 935 . 1 . 1 171 171 GLY N N 15 112.7720 0.0000 . 1 . . 257885 . . 171 GLY N . 52228 1 936 . 1 . 1 172 172 VAL H H 1 6.9597 0.0000 . 1 . . 239046 . . 172 VAL H . 52228 1 937 . 1 . 1 172 172 VAL HG11 H 1 0.8740 0.0000 . 2 . . 454746 . . 172 VAL HG11 . 52228 1 938 . 1 . 1 172 172 VAL HG12 H 1 0.8740 0.0000 . 2 . . 454746 . . 172 VAL HG11 . 52228 1 939 . 1 . 1 172 172 VAL HG13 H 1 0.8740 0.0000 . 2 . . 454746 . . 172 VAL HG11 . 52228 1 940 . 1 . 1 172 172 VAL HG21 H 1 0.5020 0.0000 . 2 . . 454944 . . 172 VAL HG21 . 52228 1 941 . 1 . 1 172 172 VAL HG22 H 1 0.5020 0.0000 . 2 . . 454944 . . 172 VAL HG21 . 52228 1 942 . 1 . 1 172 172 VAL HG23 H 1 0.5020 0.0000 . 2 . . 454944 . . 172 VAL HG21 . 52228 1 943 . 1 . 1 172 172 VAL C C 13 177.1455 0.0000 . 1 . . 272541 . . 172 VAL C . 52228 1 944 . 1 . 1 172 172 VAL CA C 13 61.3776 0.0000 . 1 . . 272543 . . 172 VAL CA . 52228 1 945 . 1 . 1 172 172 VAL CB C 13 32.3099 0.0000 . 1 . . 272544 . . 172 VAL CB . 52228 1 946 . 1 . 1 172 172 VAL CG1 C 13 21.1860 0.0000 . 2 . . 456550 . . 172 VAL CG1 . 52228 1 947 . 1 . 1 172 172 VAL CG2 C 13 21.1050 0.0000 . 2 . . 456550 . . 172 VAL CG2 . 52228 1 948 . 1 . 1 172 172 VAL N N 15 119.2650 0.0000 . 1 . . 239048 . . 172 VAL N . 52228 1 949 . 1 . 1 173 173 HIS H H 1 9.2907 0.0000 . 1 . . 254181 . . 173 HIS H . 52228 1 950 . 1 . 1 173 173 HIS C C 13 172.4718 0.0000 . 1 . . 269656 . . 173 HIS C . 52228 1 951 . 1 . 1 173 173 HIS CA C 13 54.0871 0.0000 . 1 . . 269660 . . 173 HIS CA . 52228 1 952 . 1 . 1 173 173 HIS CB C 13 29.7776 0.0000 . 1 . . 269662 . . 173 HIS CB . 52228 1 953 . 1 . 1 173 173 HIS N N 15 124.3432 0.0000 . 1 . . 254183 . . 173 HIS N . 52228 1 954 . 1 . 1 174 174 THR H H 1 8.8526 0.0000 . 1 . . 254427 . . 174 THR H . 52228 1 955 . 1 . 1 174 174 THR C C 13 173.6939 0.0000 . 1 . . 270182 . . 174 THR C . 52228 1 956 . 1 . 1 174 174 THR CA C 13 61.8699 0.0000 . 1 . . 270173 . . 174 THR CA . 52228 1 957 . 1 . 1 174 174 THR CB C 13 68.1925 0.0000 . 1 . . 270176 . . 174 THR CB . 52228 1 958 . 1 . 1 174 174 THR N N 15 123.4876 0.0000 . 1 . . 254429 . . 174 THR N . 52228 1 959 . 1 . 1 175 175 PHE H H 1 8.6475 0.0000 . 1 . . 253155 . . 175 PHE H . 52228 1 960 . 1 . 1 175 175 PHE C C 13 173.2641 0.0000 . 1 . . 268253 . . 175 PHE C . 52228 1 961 . 1 . 1 175 175 PHE CA C 13 58.4743 0.0000 . 1 . . 268259 . . 175 PHE CA . 52228 1 962 . 1 . 1 175 175 PHE CB C 13 38.0996 0.0000 . 1 . . 268257 . . 175 PHE CB . 52228 1 963 . 1 . 1 175 175 PHE N N 15 128.0900 0.0000 . 1 . . 253157 . . 175 PHE N . 52228 1 964 . 1 . 1 176 176 PRO C C 13 177.3508 0.0000 . 1 . . 268577 . . 176 PRO C . 52228 1 965 . 1 . 1 176 176 PRO CA C 13 62.4540 0.0000 . 1 . . 268583 . . 176 PRO CA . 52228 1 966 . 1 . 1 176 176 PRO CB C 13 31.2111 0.0000 . 1 . . 268578 . . 176 PRO CB . 52228 1 967 . 1 . 1 177 177 ALA H H 1 9.0394 0.0000 . 1 . . 240420 . . 177 ALA H . 52228 1 968 . 1 . 1 177 177 ALA C C 13 178.1756 0.0000 . 1 . . 268584 . . 177 ALA C . 52228 1 969 . 1 . 1 177 177 ALA CA C 13 52.3130 0.0000 . 1 . . 268581 . . 177 ALA CA . 52228 1 970 . 1 . 1 177 177 ALA CB C 13 20.0717 0.0000 . 1 . . 268582 . . 177 ALA CB . 52228 1 971 . 1 . 1 177 177 ALA N N 15 126.7059 0.0000 . 1 . . 240422 . . 177 ALA N . 52228 1 972 . 1 . 1 178 178 VAL H H 1 8.8213 0.0000 . 1 . . 256479 . . 178 VAL H . 52228 1 973 . 1 . 1 178 178 VAL HG11 H 1 0.9130 0.0000 . 2 . . 762777 . . 178 VAL HG11 . 52228 1 974 . 1 . 1 178 178 VAL HG12 H 1 0.9130 0.0000 . 2 . . 762777 . . 178 VAL HG11 . 52228 1 975 . 1 . 1 178 178 VAL HG13 H 1 0.9130 0.0000 . 2 . . 762777 . . 178 VAL HG11 . 52228 1 976 . 1 . 1 178 178 VAL HG21 H 1 0.9100 0.0000 . 2 . . 762777 . . 178 VAL HG21 . 52228 1 977 . 1 . 1 178 178 VAL HG22 H 1 0.9100 0.0000 . 2 . . 762777 . . 178 VAL HG21 . 52228 1 978 . 1 . 1 178 178 VAL HG23 H 1 0.9100 0.0000 . 2 . . 762777 . . 178 VAL HG21 . 52228 1 979 . 1 . 1 178 178 VAL C C 13 174.7671 0.0000 . 1 . . 335245 . . 178 VAL C . 52228 1 980 . 1 . 1 178 178 VAL CA C 13 59.8451 0.0000 . 1 . . 335249 . . 178 VAL CA . 52228 1 981 . 1 . 1 178 178 VAL CB C 13 33.6772 0.0000 . 1 . . 335250 . . 178 VAL CB . 52228 1 982 . 1 . 1 178 178 VAL CG1 C 13 21.5760 0.0000 . 2 . . 456553 . . 178 VAL CG1 . 52228 1 983 . 1 . 1 178 178 VAL CG2 C 13 20.5750 0.0000 . 2 . . 453618 . . 178 VAL CG2 . 52228 1 984 . 1 . 1 178 178 VAL N N 15 117.8273 0.0000 . 1 . . 256481 . . 178 VAL N . 52228 1 985 . 1 . 1 179 179 LEU H H 1 8.5799 0.0000 . 1 . . 238053 . . 179 LEU H . 52228 1 986 . 1 . 1 179 179 LEU HD11 H 1 0.1400 0.0000 . 2 . . 455088 . . 179 LEU HD11 . 52228 1 987 . 1 . 1 179 179 LEU HD12 H 1 0.1400 0.0000 . 2 . . 455088 . . 179 LEU HD11 . 52228 1 988 . 1 . 1 179 179 LEU HD13 H 1 0.1400 0.0000 . 2 . . 455088 . . 179 LEU HD11 . 52228 1 989 . 1 . 1 179 179 LEU HD21 H 1 0.6820 0.0000 . 2 . . 454839 . . 179 LEU HD21 . 52228 1 990 . 1 . 1 179 179 LEU HD22 H 1 0.6820 0.0000 . 2 . . 454839 . . 179 LEU HD21 . 52228 1 991 . 1 . 1 179 179 LEU HD23 H 1 0.6820 0.0000 . 2 . . 454839 . . 179 LEU HD21 . 52228 1 992 . 1 . 1 179 179 LEU C C 13 176.8214 0.0000 . 1 . . 268455 . . 179 LEU C . 52228 1 993 . 1 . 1 179 179 LEU CA C 13 54.1077 0.0000 . 1 . . 268457 . . 179 LEU CA . 52228 1 994 . 1 . 1 179 179 LEU CB C 13 41.1662 0.0000 . 1 . . 268458 . . 179 LEU CB . 52228 1 995 . 1 . 1 179 179 LEU CD1 C 13 21.9280 0.0000 . 2 . . 453597 . . 179 LEU CD1 . 52228 1 996 . 1 . 1 179 179 LEU CD2 C 13 25.4460 0.0000 . 2 . . 453288 . . 179 LEU CD2 . 52228 1 997 . 1 . 1 179 179 LEU N N 15 127.0748 0.0000 . 1 . . 238055 . . 179 LEU N . 52228 1 998 . 1 . 1 180 180 GLN H H 1 8.1950 0.0000 . 1 . . 253848 . . 180 GLN H . 52228 1 999 . 1 . 1 180 180 GLN C C 13 178.1353 0.0000 . 1 . . 315306 . . 180 GLN C . 52228 1 1000 . 1 . 1 180 180 GLN CA C 13 54.6361 0.0000 . 1 . . 315305 . . 180 GLN CA . 52228 1 1001 . 1 . 1 180 180 GLN CB C 13 32.0286 0.0000 . 1 . . 357378 . . 180 GLN CB . 52228 1 1002 . 1 . 1 180 180 GLN N N 15 125.3330 0.0000 . 1 . . 253850 . . 180 GLN N . 52228 1 1003 . 1 . 1 181 181 SER H H 1 9.1403 0.0000 . 1 . . 260502 . . 181 SER H . 52228 1 1004 . 1 . 1 181 181 SER C C 13 174.6708 0.0000 . 1 . . 275338 . . 181 SER C . 52228 1 1005 . 1 . 1 181 181 SER CA C 13 60.8913 0.0000 . 1 . . 275345 . . 181 SER CA . 52228 1 1006 . 1 . 1 181 181 SER CB C 13 61.8569 0.0000 . 1 . . 275342 . . 181 SER CB . 52228 1 1007 . 1 . 1 181 181 SER N N 15 118.9021 0.0000 . 1 . . 260504 . . 181 SER N . 52228 1 1008 . 1 . 1 182 182 SER H H 1 7.2916 0.0000 . 1 . . 249168 . . 182 SER H . 52228 1 1009 . 1 . 1 182 182 SER C C 13 175.3926 0.0000 . 1 . . 275336 . . 182 SER C . 52228 1 1010 . 1 . 1 182 182 SER CA C 13 57.4125 0.0000 . 1 . . 275340 . . 182 SER CA . 52228 1 1011 . 1 . 1 182 182 SER CB C 13 63.7445 0.0000 . 1 . . 275337 . . 182 SER CB . 52228 1 1012 . 1 . 1 182 182 SER N N 15 112.7665 0.0000 . 1 . . 249170 . . 182 SER N . 52228 1 1013 . 1 . 1 183 183 GLY H H 1 8.0727 0.0000 . 1 . . 239817 . . 183 GLY H . 52228 1 1014 . 1 . 1 183 183 GLY C C 13 171.1803 0.0000 . 1 . . 358444 . . 183 GLY C . 52228 1 1015 . 1 . 1 183 183 GLY CA C 13 44.3715 0.0000 . 1 . . 358452 . . 183 GLY CA . 52228 1 1016 . 1 . 1 183 183 GLY N N 15 109.6558 0.0000 . 1 . . 239819 . . 183 GLY N . 52228 1 1017 . 1 . 1 184 184 LEU H H 1 6.8023 0.0000 . 1 . . 257475 . . 184 LEU H . 52228 1 1018 . 1 . 1 184 184 LEU HD11 H 1 0.6170 0.0000 . 2 . . 762780 . . 184 LEU HD11 . 52228 1 1019 . 1 . 1 184 184 LEU HD12 H 1 0.6170 0.0000 . 2 . . 762780 . . 184 LEU HD11 . 52228 1 1020 . 1 . 1 184 184 LEU HD13 H 1 0.6170 0.0000 . 2 . . 762780 . . 184 LEU HD11 . 52228 1 1021 . 1 . 1 184 184 LEU HD21 H 1 0.5780 0.0000 . 2 . . 762780 . . 184 LEU HD21 . 52228 1 1022 . 1 . 1 184 184 LEU HD22 H 1 0.5780 0.0000 . 2 . . 762780 . . 184 LEU HD21 . 52228 1 1023 . 1 . 1 184 184 LEU HD23 H 1 0.5780 0.0000 . 2 . . 762780 . . 184 LEU HD21 . 52228 1 1024 . 1 . 1 184 184 LEU C C 13 177.3472 0.0000 . 1 . . 274441 . . 184 LEU C . 52228 1 1025 . 1 . 1 184 184 LEU CA C 13 51.7937 0.0000 . 1 . . 274443 . . 184 LEU CA . 52228 1 1026 . 1 . 1 184 184 LEU CB C 13 42.6176 0.0000 . 1 . . 274442 . . 184 LEU CB . 52228 1 1027 . 1 . 1 184 184 LEU CD1 C 13 25.2110 0.0000 . 2 . . 453357 . . 184 LEU CD1 . 52228 1 1028 . 1 . 1 184 184 LEU CD2 C 13 23.3270 0.0000 . 2 . . 453537 . . 184 LEU CD2 . 52228 1 1029 . 1 . 1 184 184 LEU N N 15 114.2759 0.0000 . 1 . . 257477 . . 184 LEU N . 52228 1 1030 . 1 . 1 185 185 TYR H H 1 9.0537 0.0000 . 1 . . 254901 . . 185 TYR H . 52228 1 1031 . 1 . 1 185 185 TYR C C 13 176.5964 0.0000 . 1 . . 270617 . . 185 TYR C . 52228 1 1032 . 1 . 1 185 185 TYR CA C 13 58.5853 0.0000 . 1 . . 270621 . . 185 TYR CA . 52228 1 1033 . 1 . 1 185 185 TYR CB C 13 39.3958 0.0000 . 1 . . 270613 . . 185 TYR CB . 52228 1 1034 . 1 . 1 185 185 TYR N N 15 122.3538 0.0000 . 1 . . 254903 . . 185 TYR N . 52228 1 1035 . 1 . 1 186 186 SER H H 1 8.3352 0.0000 . 1 . . 249255 . . 186 SER H . 52228 1 1036 . 1 . 1 186 186 SER C C 13 172.5682 0.0000 . 1 . . 346014 . . 186 SER C . 52228 1 1037 . 1 . 1 186 186 SER CA C 13 57.2057 0.0000 . 1 . . 346020 . . 186 SER CA . 52228 1 1038 . 1 . 1 186 186 SER CB C 13 65.5812 0.0000 . 1 . . 346017 . . 186 SER CB . 52228 1 1039 . 1 . 1 186 186 SER N N 15 111.2160 0.0000 . 1 . . 249257 . . 186 SER N . 52228 1 1040 . 1 . 1 187 187 LEU H H 1 9.5216 0.0000 . 1 . . 253842 . . 187 LEU H . 52228 1 1041 . 1 . 1 187 187 LEU HD11 H 1 0.8250 0.0000 . 2 . . 762783 . . 187 LEU HD11 . 52228 1 1042 . 1 . 1 187 187 LEU HD12 H 1 0.8250 0.0000 . 2 . . 762783 . . 187 LEU HD11 . 52228 1 1043 . 1 . 1 187 187 LEU HD13 H 1 0.8250 0.0000 . 2 . . 762783 . . 187 LEU HD11 . 52228 1 1044 . 1 . 1 187 187 LEU HD21 H 1 0.8630 0.0000 . 2 . . 762783 . . 187 LEU HD21 . 52228 1 1045 . 1 . 1 187 187 LEU HD22 H 1 0.8630 0.0000 . 2 . . 762783 . . 187 LEU HD21 . 52228 1 1046 . 1 . 1 187 187 LEU HD23 H 1 0.8630 0.0000 . 2 . . 762783 . . 187 LEU HD21 . 52228 1 1047 . 1 . 1 187 187 LEU C C 13 174.5502 0.0000 . 1 . . 315853 . . 187 LEU C . 52228 1 1048 . 1 . 1 187 187 LEU CA C 13 55.1245 0.0000 . 1 . . 315864 . . 187 LEU CA . 52228 1 1049 . 1 . 1 187 187 LEU CB C 13 44.3140 0.0000 . 1 . . 315854 . . 187 LEU CB . 52228 1 1050 . 1 . 1 187 187 LEU CD1 C 13 25.3170 0.0000 . 2 . . 453294 . . 187 LEU CD1 . 52228 1 1051 . 1 . 1 187 187 LEU CD2 C 13 27.4570 0.0000 . 2 . . 453201 . . 187 LEU CD2 . 52228 1 1052 . 1 . 1 187 187 LEU N N 15 125.2531 0.0000 . 1 . . 253844 . . 187 LEU N . 52228 1 1053 . 1 . 1 188 188 SER H H 1 7.3599 0.0000 . 1 . . 239613 . . 188 SER H . 52228 1 1054 . 1 . 1 188 188 SER C C 13 172.5597 0.0000 . 1 . . 274698 . . 188 SER C . 52228 1 1055 . 1 . 1 188 188 SER CA C 13 57.5356 0.0000 . 1 . . 274699 . . 188 SER CA . 52228 1 1056 . 1 . 1 188 188 SER CB C 13 65.6493 0.0000 . 1 . . 274701 . . 188 SER CB . 52228 1 1057 . 1 . 1 188 188 SER N N 15 113.7900 0.0000 . 1 . . 239615 . . 188 SER N . 52228 1 1058 . 1 . 1 189 189 SER H H 1 8.6479 0.0000 . 1 . . 242160 . . 189 SER H . 52228 1 1059 . 1 . 1 189 189 SER C C 13 174.1538 0.0000 . 1 . . 273851 . . 189 SER C . 52228 1 1060 . 1 . 1 189 189 SER CA C 13 56.4709 0.0000 . 1 . . 273855 . . 189 SER CA . 52228 1 1061 . 1 . 1 189 189 SER CB C 13 63.9527 0.0000 . 1 . . 273853 . . 189 SER CB . 52228 1 1062 . 1 . 1 189 189 SER N N 15 115.8747 0.0000 . 1 . . 242162 . . 189 SER N . 52228 1 1063 . 1 . 1 190 190 VAL H H 1 9.1895 0.0000 . 1 . . 238602 . . 190 VAL H . 52228 1 1064 . 1 . 1 190 190 VAL HG11 H 1 0.8270 0.0000 . 2 . . 454740 . . 190 VAL HG11 . 52228 1 1065 . 1 . 1 190 190 VAL HG12 H 1 0.8270 0.0000 . 2 . . 454740 . . 190 VAL HG11 . 52228 1 1066 . 1 . 1 190 190 VAL HG13 H 1 0.8270 0.0000 . 2 . . 454740 . . 190 VAL HG11 . 52228 1 1067 . 1 . 1 190 190 VAL HG21 H 1 1.0500 0.0000 . 2 . . 454470 . . 190 VAL HG21 . 52228 1 1068 . 1 . 1 190 190 VAL HG22 H 1 1.0500 0.0000 . 2 . . 454470 . . 190 VAL HG21 . 52228 1 1069 . 1 . 1 190 190 VAL HG23 H 1 1.0500 0.0000 . 2 . . 454470 . . 190 VAL HG21 . 52228 1 1070 . 1 . 1 190 190 VAL C C 13 172.7946 0.0000 . 1 . . 270440 . . 190 VAL C . 52228 1 1071 . 1 . 1 190 190 VAL CA C 13 58.7379 0.0000 . 1 . . 270443 . . 190 VAL CA . 52228 1 1072 . 1 . 1 190 190 VAL CB C 13 35.3349 0.0000 . 1 . . 270444 . . 190 VAL CB . 52228 1 1073 . 1 . 1 190 190 VAL CG1 C 13 20.7970 0.0000 . 2 . . 453795 . . 190 VAL CG1 . 52228 1 1074 . 1 . 1 190 190 VAL CG2 C 13 19.4850 0.0000 . 2 . . 453975 . . 190 VAL CG2 . 52228 1 1075 . 1 . 1 190 190 VAL N N 15 122.6749 0.0000 . 1 . . 238604 . . 190 VAL N . 52228 1 1076 . 1 . 1 191 191 VAL H H 1 8.9289 0.0000 . 1 . . 329043 . . 191 VAL H . 52228 1 1077 . 1 . 1 191 191 VAL HG11 H 1 -0.3530 0.0000 . 2 . . 455181 . . 191 VAL HG11 . 52228 1 1078 . 1 . 1 191 191 VAL HG12 H 1 -0.3530 0.0000 . 2 . . 455181 . . 191 VAL HG11 . 52228 1 1079 . 1 . 1 191 191 VAL HG13 H 1 -0.3530 0.0000 . 2 . . 455181 . . 191 VAL HG11 . 52228 1 1080 . 1 . 1 191 191 VAL HG21 H 1 -0.2300 0.0000 . 2 . . 455151 . . 191 VAL HG21 . 52228 1 1081 . 1 . 1 191 191 VAL HG22 H 1 -0.2300 0.0000 . 2 . . 455151 . . 191 VAL HG21 . 52228 1 1082 . 1 . 1 191 191 VAL HG23 H 1 -0.2300 0.0000 . 2 . . 455151 . . 191 VAL HG21 . 52228 1 1083 . 1 . 1 191 191 VAL CA C 13 58.7380 0.0000 . 1 . . . . . 191 VAL CA . 52228 1 1084 . 1 . 1 191 191 VAL CB C 13 33.6480 0.0000 . 1 . . . . . 191 VAL CB . 52228 1 1085 . 1 . 1 191 191 VAL CG1 C 13 18.9460 0.0000 . 2 . . . . . 191 VAL CG1 . 52228 1 1086 . 1 . 1 191 191 VAL CG2 C 13 20.1390 0.0000 . 2 . . . . . 191 VAL CG2 . 52228 1 1087 . 1 . 1 191 191 VAL N N 15 120.7468 0.0000 . 1 . . 329045 . . 191 VAL N . 52228 1 1088 . 1 . 1 192 192 THR H H 1 8.6520 0.0000 . 1 . . . . . 192 THR H . 52228 1 1089 . 1 . 1 192 192 THR CA C 13 58.4670 0.0000 . 1 . . . . . 192 THR CA . 52228 1 1090 . 1 . 1 192 192 THR CB C 13 69.3400 0.0000 . 1 . . . . . 192 THR CB . 52228 1 1091 . 1 . 1 192 192 THR N N 15 117.1280 0.0000 . 1 . . . . . 192 THR N . 52228 1 1092 . 1 . 1 193 193 VAL H H 1 7.2840 0.0000 . 1 . . . . . 193 VAL H . 52228 1 1093 . 1 . 1 193 193 VAL C C 13 177.4684 0.0000 . 1 . . . . . 193 VAL C . 52228 1 1094 . 1 . 1 193 193 VAL CA C 13 58.7810 0.0000 . 1 . . . . . 193 VAL CA . 52228 1 1095 . 1 . 1 193 193 VAL CB C 13 32.7500 0.0000 . 1 . . . . . 193 VAL CB . 52228 1 1096 . 1 . 1 193 193 VAL N N 15 114.4380 0.0000 . 1 . . . . . 193 VAL N . 52228 1 1097 . 1 . 1 195 195 SER C C 13 176.3849 0.0000 . 1 . . 485731 . . 195 SER C . 52228 1 1098 . 1 . 1 195 195 SER CA C 13 59.7140 0.0000 . 1 . . 856029 . . 195 SER CA . 52228 1 1099 . 1 . 1 196 196 SER H H 1 8.8691 0.0000 . 1 . . 485713 . . 196 SER H . 52228 1 1100 . 1 . 1 196 196 SER C C 13 175.6312 0.0000 . 1 . . 856020 . . 196 SER C . 52228 1 1101 . 1 . 1 196 196 SER CA C 13 59.6944 0.0000 . 1 . . 856026 . . 196 SER CA . 52228 1 1102 . 1 . 1 196 196 SER CB C 13 61.9507 0.0000 . 1 . . 856022 . . 196 SER CB . 52228 1 1103 . 1 . 1 196 196 SER N N 15 121.6705 0.0000 . 1 . . 485715 . . 196 SER N . 52228 1 1104 . 1 . 1 197 197 SER H H 1 7.8108 0.0000 . 1 . . 239361 . . 197 SER H . 52228 1 1105 . 1 . 1 197 197 SER C C 13 175.2871 0.0000 . 1 . . 273648 . . 197 SER C . 52228 1 1106 . 1 . 1 197 197 SER CA C 13 58.9911 0.0000 . 1 . . 273649 . . 197 SER CA . 52228 1 1107 . 1 . 1 197 197 SER CB C 13 64.2344 0.0000 . 1 . . 273652 . . 197 SER CB . 52228 1 1108 . 1 . 1 197 197 SER N N 15 116.8620 0.0000 . 1 . . 239363 . . 197 SER N . 52228 1 1109 . 1 . 1 198 198 LEU H H 1 7.3527 0.0000 . 1 . . 238695 . . 198 LEU H . 52228 1 1110 . 1 . 1 198 198 LEU C C 13 178.3390 0.0000 . 1 . . 277249 . . 198 LEU C . 52228 1 1111 . 1 . 1 198 198 LEU CA C 13 56.7577 0.0000 . 1 . . 270882 . . 198 LEU CA . 52228 1 1112 . 1 . 1 198 198 LEU CB C 13 40.5431 0.0000 . 1 . . 270885 . . 198 LEU CB . 52228 1 1113 . 1 . 1 198 198 LEU N N 15 122.6605 0.0000 . 1 . . 238697 . . 198 LEU N . 52228 1 1114 . 1 . 1 199 199 GLY H H 1 8.6540 0.0000 . 1 . . 243240 . . 199 GLY H . 52228 1 1115 . 1 . 1 199 199 GLY C C 13 174.7935 0.0000 . 1 . . 277250 . . 199 GLY C . 52228 1 1116 . 1 . 1 199 199 GLY CA C 13 45.0175 0.0000 . 1 . . 353277 . . 199 GLY CA . 52228 1 1117 . 1 . 1 199 199 GLY N N 15 107.5189 0.0000 . 1 . . 243242 . . 199 GLY N . 52228 1 1118 . 1 . 1 200 200 THR H H 1 7.4456 0.0000 . 1 . . 258450 . . 200 THR H . 52228 1 1119 . 1 . 1 200 200 THR C C 13 174.0808 0.0000 . 1 . . 276258 . . 200 THR C . 52228 1 1120 . 1 . 1 200 200 THR CA C 13 61.8403 0.0000 . 1 . . 276262 . . 200 THR CA . 52228 1 1121 . 1 . 1 200 200 THR CB C 13 69.8875 0.0000 . 1 . . 276263 . . 200 THR CB . 52228 1 1122 . 1 . 1 200 200 THR N N 15 110.2798 0.0000 . 1 . . 258452 . . 200 THR N . 52228 1 1123 . 1 . 1 201 201 GLN H H 1 7.8001 0.0000 . 1 . . 241275 . . 201 GLN H . 52228 1 1124 . 1 . 1 201 201 GLN C C 13 173.8990 0.0000 . 1 . . 326627 . . 201 GLN C . 52228 1 1125 . 1 . 1 201 201 GLN CA C 13 53.9922 0.0000 . 1 . . 326633 . . 201 GLN CA . 52228 1 1126 . 1 . 1 201 201 GLN CB C 13 30.0965 0.0000 . 1 . . 326634 . . 201 GLN CB . 52228 1 1127 . 1 . 1 201 201 GLN N N 15 122.1505 0.0000 . 1 . . 241277 . . 201 GLN N . 52228 1 1128 . 1 . 1 202 202 THR H H 1 7.9166 0.0000 . 1 . . 256371 . . 202 THR H . 52228 1 1129 . 1 . 1 202 202 THR C C 13 173.2716 0.0000 . 1 . . 272988 . . 202 THR C . 52228 1 1130 . 1 . 1 202 202 THR CA C 13 61.6433 0.0000 . 1 . . 272992 . . 202 THR CA . 52228 1 1131 . 1 . 1 202 202 THR CB C 13 69.8353 0.0000 . 1 . . 272990 . . 202 THR CB . 52228 1 1132 . 1 . 1 202 202 THR N N 15 118.6358 0.0000 . 1 . . 256373 . . 202 THR N . 52228 1 1133 . 1 . 1 203 203 TYR H H 1 9.2093 0.0000 . 1 . . 253509 . . 203 TYR H . 52228 1 1134 . 1 . 1 203 203 TYR C C 13 173.7355 0.0000 . 1 . . 268764 . . 203 TYR C . 52228 1 1135 . 1 . 1 203 203 TYR CA C 13 58.0740 0.0000 . 1 . . 268769 . . 203 TYR CA . 52228 1 1136 . 1 . 1 203 203 TYR CB C 13 40.0408 0.0000 . 1 . . 268767 . . 203 TYR CB . 52228 1 1137 . 1 . 1 203 203 TYR N N 15 127.1644 0.0000 . 1 . . 253511 . . 203 TYR N . 52228 1 1138 . 1 . 1 204 204 ILE H H 1 8.8824 0.0000 . 1 . . 238506 . . 204 ILE H . 52228 1 1139 . 1 . 1 204 204 ILE HD11 H 1 0.7100 0.0000 . 1 . . 454803 . . 204 ILE HD11 . 52228 1 1140 . 1 . 1 204 204 ILE HD12 H 1 0.7100 0.0000 . 1 . . 454803 . . 204 ILE HD11 . 52228 1 1141 . 1 . 1 204 204 ILE HD13 H 1 0.7100 0.0000 . 1 . . 454803 . . 204 ILE HD11 . 52228 1 1142 . 1 . 1 204 204 ILE C C 13 174.6435 0.0000 . 1 . . 354927 . . 204 ILE C . 52228 1 1143 . 1 . 1 204 204 ILE CA C 13 58.6954 0.0000 . 1 . . 354932 . . 204 ILE CA . 52228 1 1144 . 1 . 1 204 204 ILE CB C 13 41.2890 0.0000 . 1 . . 354933 . . 204 ILE CB . 52228 1 1145 . 1 . 1 204 204 ILE CD1 C 13 13.1380 0.0000 . 1 . . 454170 . . 204 ILE CD1 . 52228 1 1146 . 1 . 1 204 204 ILE N N 15 124.0796 0.0000 . 1 . . 238508 . . 204 ILE N . 52228 1 1147 . 1 . 1 205 205 CYS H H 1 8.5886 0.0000 . 1 . . 254703 . . 205 CYS H . 52228 1 1148 . 1 . 1 205 205 CYS C C 13 172.1239 0.0000 . 1 . . 270265 . . 205 CYS C . 52228 1 1149 . 1 . 1 205 205 CYS CA C 13 52.0976 0.0000 . 1 . . 270267 . . 205 CYS CA . 52228 1 1150 . 1 . 1 205 205 CYS CB C 13 42.6660 0.0000 . 1 . . 270264 . . 205 CYS CB . 52228 1 1151 . 1 . 1 205 205 CYS N N 15 123.6389 0.0000 . 1 . . 254705 . . 205 CYS N . 52228 1 1152 . 1 . 1 206 206 ASN H H 1 8.8925 0.0000 . 1 . . 241050 . . 206 ASN H . 52228 1 1153 . 1 . 1 206 206 ASN C C 13 174.2021 0.0000 . 1 . . 428261 . . 206 ASN C . 52228 1 1154 . 1 . 1 206 206 ASN CA C 13 51.5608 0.0000 . 1 . . 428231 . . 206 ASN CA . 52228 1 1155 . 1 . 1 206 206 ASN CB C 13 38.9217 0.0000 . 1 . . 283239 . . 206 ASN CB . 52228 1 1156 . 1 . 1 206 206 ASN N N 15 123.1192 0.0000 . 1 . . 241052 . . 206 ASN N . 52228 1 1157 . 1 . 1 207 207 VAL H H 1 9.2448 0.0000 . 1 . . 253662 . . 207 VAL H . 52228 1 1158 . 1 . 1 207 207 VAL HG11 H 1 0.4350 0.0000 . 2 . . . . . 207 VAL HG11 . 52228 1 1159 . 1 . 1 207 207 VAL HG12 H 1 0.4350 0.0000 . 2 . . . . . 207 VAL HG11 . 52228 1 1160 . 1 . 1 207 207 VAL HG13 H 1 0.4350 0.0000 . 2 . . . . . 207 VAL HG11 . 52228 1 1161 . 1 . 1 207 207 VAL HG21 H 1 0.6510 0.0000 . 2 . . . . . 207 VAL HG21 . 52228 1 1162 . 1 . 1 207 207 VAL HG22 H 1 0.6510 0.0000 . 2 . . . . . 207 VAL HG21 . 52228 1 1163 . 1 . 1 207 207 VAL HG23 H 1 0.6510 0.0000 . 2 . . . . . 207 VAL HG21 . 52228 1 1164 . 1 . 1 207 207 VAL CA C 13 61.1912 0.0000 . 1 . . 268968 . . 207 VAL CA . 52228 1 1165 . 1 . 1 207 207 VAL CB C 13 32.8832 0.0000 . 1 . . 268971 . . 207 VAL CB . 52228 1 1166 . 1 . 1 207 207 VAL CG1 C 13 21.1330 0.0000 . 2 . . . . . 207 VAL CG1 . 52228 1 1167 . 1 . 1 207 207 VAL CG2 C 13 21.7470 0.0000 . 2 . . . . . 207 VAL CG2 . 52228 1 1168 . 1 . 1 207 207 VAL N N 15 126.6596 0.0000 . 1 . . 253664 . . 207 VAL N . 52228 1 1169 . 1 . 1 211 211 PRO C C 13 175.8747 0.0000 . 1 . . 277351 . . 211 PRO C . 52228 1 1170 . 1 . 1 211 211 PRO CA C 13 65.6512 0.0000 . 1 . . 277349 . . 211 PRO CA . 52228 1 1171 . 1 . 1 211 211 PRO CB C 13 31.1329 0.0000 . 1 . . 277344 . . 211 PRO CB . 52228 1 1172 . 1 . 1 212 212 SER H H 1 6.4031 0.0000 . 1 . . 258981 . . 212 SER H . 52228 1 1173 . 1 . 1 212 212 SER C C 13 174.0957 0.0000 . 1 . . 277341 . . 212 SER C . 52228 1 1174 . 1 . 1 212 212 SER CA C 13 56.8569 0.0000 . 1 . . 277342 . . 212 SER CA . 52228 1 1175 . 1 . 1 212 212 SER CB C 13 63.7300 0.0000 . 1 . . 277343 . . 212 SER CB . 52228 1 1176 . 1 . 1 212 212 SER N N 15 105.6346 0.0000 . 1 . . 258983 . . 212 SER N . 52228 1 1177 . 1 . 1 213 213 ASN H H 1 8.1993 0.0000 . 1 . . 247770 . . 213 ASN H . 52228 1 1178 . 1 . 1 213 213 ASN C C 13 174.4064 0.0000 . 1 . . 394717 . . 213 ASN C . 52228 1 1179 . 1 . 1 213 213 ASN CB C 13 37.2893 0.0000 . 1 . . 394666 . . 213 ASN CB . 52228 1 1180 . 1 . 1 213 213 ASN N N 15 120.5040 0.0000 . 1 . . 247772 . . 213 ASN N . 52228 1 1181 . 1 . 1 214 214 THR H H 1 7.7939 0.0000 . 1 . . 257829 . . 214 THR H . 52228 1 1182 . 1 . 1 214 214 THR C C 13 173.4509 0.0000 . 1 . . 394670 . . 214 THR C . 52228 1 1183 . 1 . 1 214 214 THR CA C 13 62.7463 0.0000 . 1 . . 275161 . . 214 THR CA . 52228 1 1184 . 1 . 1 214 214 THR CB C 13 69.3502 0.0000 . 1 . . 394674 . . 214 THR CB . 52228 1 1185 . 1 . 1 214 214 THR N N 15 113.1643 0.0000 . 1 . . 257831 . . 214 THR N . 52228 1 1186 . 1 . 1 215 215 LYS H H 1 8.5154 0.0000 . 1 . . 246333 . . 215 LYS H . 52228 1 1187 . 1 . 1 215 215 LYS C C 13 174.9924 0.0000 . 1 . . 525741 . . 215 LYS C . 52228 1 1188 . 1 . 1 215 215 LYS CA C 13 55.4223 0.0000 . 1 . . 525749 . . 215 LYS CA . 52228 1 1189 . 1 . 1 215 215 LYS CB C 13 33.6563 0.0000 . 1 . . 525753 . . 215 LYS CB . 52228 1 1190 . 1 . 1 215 215 LYS N N 15 129.1252 0.0000 . 1 . . 246335 . . 215 LYS N . 52228 1 1191 . 1 . 1 216 216 VAL H H 1 8.6713 0.0000 . 1 . . 238434 . . 216 VAL H . 52228 1 1192 . 1 . 1 216 216 VAL HG11 H 1 0.7540 0.0000 . 2 . . 762792 . . 216 VAL HG11 . 52228 1 1193 . 1 . 1 216 216 VAL HG12 H 1 0.7540 0.0000 . 2 . . 762792 . . 216 VAL HG11 . 52228 1 1194 . 1 . 1 216 216 VAL HG13 H 1 0.7540 0.0000 . 2 . . 762792 . . 216 VAL HG11 . 52228 1 1195 . 1 . 1 216 216 VAL HG21 H 1 0.7580 0.0000 . 2 . . 762792 . . 216 VAL HG21 . 52228 1 1196 . 1 . 1 216 216 VAL HG22 H 1 0.7580 0.0000 . 2 . . 762792 . . 216 VAL HG21 . 52228 1 1197 . 1 . 1 216 216 VAL HG23 H 1 0.7580 0.0000 . 2 . . 762792 . . 216 VAL HG21 . 52228 1 1198 . 1 . 1 216 216 VAL C C 13 172.8289 0.0000 . 1 . . 503250 . . 216 VAL C . 52228 1 1199 . 1 . 1 216 216 VAL CA C 13 60.4460 0.0000 . 1 . . 503261 . . 216 VAL CA . 52228 1 1200 . 1 . 1 216 216 VAL CB C 13 35.5597 0.0000 . 1 . . 503257 . . 216 VAL CB . 52228 1 1201 . 1 . 1 216 216 VAL CG1 C 13 21.1370 0.0000 . 2 . . 838497 . . 216 VAL CG1 . 52228 1 1202 . 1 . 1 216 216 VAL CG2 C 13 20.5830 0.0000 . 2 . . 453756 . . 216 VAL CG2 . 52228 1 1203 . 1 . 1 216 216 VAL N N 15 124.1503 0.0000 . 1 . . 238436 . . 216 VAL N . 52228 1 1204 . 1 . 1 217 217 ASP H H 1 8.2947 0.0000 . 1 . . 238173 . . 217 ASP H . 52228 1 1205 . 1 . 1 217 217 ASP C C 13 175.1561 0.0000 . 1 . . 540403 . . 217 ASP C . 52228 1 1206 . 1 . 1 217 217 ASP CA C 13 52.3040 0.0000 . 1 . . 540405 . . 217 ASP CA . 52228 1 1207 . 1 . 1 217 217 ASP CB C 13 42.4125 0.0000 . 1 . . 540411 . . 217 ASP CB . 52228 1 1208 . 1 . 1 217 217 ASP N N 15 126.4621 0.0000 . 1 . . 238175 . . 217 ASP N . 52228 1 1209 . 1 . 1 218 218 LYS H H 1 8.6478 0.0000 . 1 . . 473190 . . 218 LYS H . 52228 1 1210 . 1 . 1 218 218 LYS C C 13 173.2836 0.0000 . 1 . . 540379 . . 218 LYS C . 52228 1 1211 . 1 . 1 218 218 LYS CA C 13 53.0472 0.0000 . 1 . . 540381 . . 218 LYS CA . 52228 1 1212 . 1 . 1 218 218 LYS CB C 13 33.4635 0.0000 . 1 . . 540385 . . 218 LYS CB . 52228 1 1213 . 1 . 1 218 218 LYS N N 15 124.4390 0.0000 . 1 . . 473192 . . 218 LYS N . 52228 1 1214 . 1 . 1 219 219 LYS H H 1 8.5260 0.0000 . 1 . . 237999 . . 219 LYS H . 52228 1 1215 . 1 . 1 219 219 LYS C C 13 176.1088 0.0000 . 1 . . 436736 . . 219 LYS C . 52228 1 1216 . 1 . 1 219 219 LYS CA C 13 56.1777 0.0000 . 1 . . 268323 . . 219 LYS CA . 52228 1 1217 . 1 . 1 219 219 LYS CB C 13 31.9380 0.0000 . 1 . . 436746 . . 219 LYS CB . 52228 1 1218 . 1 . 1 219 219 LYS N N 15 127.7043 0.0000 . 1 . . 238001 . . 219 LYS N . 52228 1 1219 . 1 . 1 220 220 VAL H H 1 9.0050 0.0000 . 1 . . 237912 . . 220 VAL H . 52228 1 1220 . 1 . 1 220 220 VAL HG11 H 1 1.1360 0.0000 . 2 . . 762795 . . 220 VAL HG11 . 52228 1 1221 . 1 . 1 220 220 VAL HG12 H 1 1.1360 0.0000 . 2 . . 762795 . . 220 VAL HG11 . 52228 1 1222 . 1 . 1 220 220 VAL HG13 H 1 1.1360 0.0000 . 2 . . 762795 . . 220 VAL HG11 . 52228 1 1223 . 1 . 1 220 220 VAL HG21 H 1 1.1490 0.0000 . 2 . . 762795 . . 220 VAL HG21 . 52228 1 1224 . 1 . 1 220 220 VAL HG22 H 1 1.1490 0.0000 . 2 . . 762795 . . 220 VAL HG21 . 52228 1 1225 . 1 . 1 220 220 VAL HG23 H 1 1.1490 0.0000 . 2 . . 762795 . . 220 VAL HG21 . 52228 1 1226 . 1 . 1 220 220 VAL C C 13 174.8554 0.0000 . 1 . . 439586 . . 220 VAL C . 52228 1 1227 . 1 . 1 220 220 VAL CA C 13 62.4861 0.0000 . 1 . . 268009 . . 220 VAL CA . 52228 1 1228 . 1 . 1 220 220 VAL CB C 13 31.3154 0.0000 . 1 . . 439596 . . 220 VAL CB . 52228 1 1229 . 1 . 1 220 220 VAL CG1 C 13 23.2320 0.0000 . 2 . . . . . 220 VAL CG1 . 52228 1 1230 . 1 . 1 220 220 VAL CG2 C 13 21.5760 0.0000 . 2 . . . . . 220 VAL CG2 . 52228 1 1231 . 1 . 1 220 220 VAL N N 15 129.0699 0.0000 . 1 . . 237914 . . 220 VAL N . 52228 1 1232 . 1 . 1 221 221 GLU H H 1 8.4836 0.0000 . 1 . . 253530 . . 221 GLU H . 52228 1 1233 . 1 . 1 221 221 GLU C C 13 173.7757 0.0000 . 1 . . 448996 . . 221 GLU C . 52228 1 1234 . 1 . 1 221 221 GLU CA C 13 53.0053 0.0000 . 1 . . 449001 . . 221 GLU CA . 52228 1 1235 . 1 . 1 221 221 GLU CB C 13 30.6307 0.0000 . 1 . . 268723 . . 221 GLU CB . 52228 1 1236 . 1 . 1 221 221 GLU N N 15 126.5763 0.0000 . 1 . . 253532 . . 221 GLU N . 52228 1 1237 . 1 . 1 223 223 LYS H H 1 8.3600 0.0000 . 1 . . . . . 223 LYS H . 52228 1 1238 . 1 . 1 223 223 LYS C C 13 176.4077 0.0000 . 1 . . 272281 . . 223 LYS C . 52228 1 1239 . 1 . 1 223 223 LYS CA C 13 55.4165 0.0000 . 1 . . 272292 . . 223 LYS CA . 52228 1 1240 . 1 . 1 223 223 LYS CB C 13 33.1158 0.0000 . 1 . . 272290 . . 223 LYS CB . 52228 1 1241 . 1 . 1 223 223 LYS N N 15 121.5600 0.0000 . 1 . . . . . 223 LYS N . 52228 1 1242 . 1 . 1 224 224 SER H H 1 8.6050 0.0000 . 1 . . 238974 . . 224 SER H . 52228 1 1243 . 1 . 1 224 224 SER C C 13 174.4557 0.0000 . 1 . . 548356 . . 224 SER C . 52228 1 1244 . 1 . 1 224 224 SER CA C 13 57.4908 0.0000 . 1 . . 500183 . . 224 SER CA . 52228 1 1245 . 1 . 1 224 224 SER CB C 13 63.2907 0.0000 . 1 . . 548360 . . 224 SER CB . 52228 1 1246 . 1 . 1 224 224 SER N N 15 119.6751 0.0000 . 1 . . 238976 . . 224 SER N . 52228 1 1247 . 1 . 1 225 225 CYS H H 1 8.6439 0.0000 . 1 . . 259953 . . 225 CYS H . 52228 1 1248 . 1 . 1 225 225 CYS C C 13 176.1706 0.0000 . 1 . . 542529 . . 225 CYS C . 52228 1 1249 . 1 . 1 225 225 CYS CA C 13 62.3281 0.0000 . 1 . . 522612 . . 225 CYS CA . 52228 1 1250 . 1 . 1 225 225 CYS CB C 13 41.1785 0.0000 . 1 . . 852061 . . 225 CYS CB . 52228 1 1251 . 1 . 1 225 225 CYS N N 15 122.1935 0.0000 . 1 . . 259955 . . 225 CYS N . 52228 1 1252 . 1 . 1 226 226 ASP H H 1 8.5397 0.0000 . 1 . . 522580 . . 226 ASP H . 52228 1 1253 . 1 . 1 226 226 ASP C C 13 176.3323 0.0000 . 1 . . 557933 . . 226 ASP C . 52228 1 1254 . 1 . 1 226 226 ASP CA C 13 53.9439 0.0000 . 1 . . 557945 . . 226 ASP CA . 52228 1 1255 . 1 . 1 226 226 ASP CB C 13 40.7271 0.0000 . 1 . . 557937 . . 226 ASP CB . 52228 1 1256 . 1 . 1 226 226 ASP N N 15 122.7925 0.0000 . 1 . . 522582 . . 226 ASP N . 52228 1 1257 . 1 . 1 227 227 LYS H H 1 8.3734 0.0000 . 1 . . 355700 . . 227 LYS H . 52228 1 1258 . 1 . 1 227 227 LYS C C 13 176.9862 0.0000 . 1 . . 516166 . . 227 LYS C . 52228 1 1259 . 1 . 1 227 227 LYS CA C 13 56.3646 0.0000 . 1 . . 516174 . . 227 LYS CA . 52228 1 1260 . 1 . 1 227 227 LYS CB C 13 31.8983 0.0000 . 1 . . 516178 . . 227 LYS CB . 52228 1 1261 . 1 . 1 227 227 LYS N N 15 121.8759 0.0000 . 1 . . 355702 . . 227 LYS N . 52228 1 1262 . 1 . 1 228 228 THR H H 1 8.1619 0.0000 . 1 . . 239586 . . 228 THR H . 52228 1 1263 . 1 . 1 228 228 THR C C 13 174.6158 0.0000 . 1 . . 274617 . . 228 THR C . 52228 1 1264 . 1 . 1 228 228 THR CA C 13 62.1076 0.0000 . 1 . . 274618 . . 228 THR CA . 52228 1 1265 . 1 . 1 228 228 THR CB C 13 69.3740 0.0000 . 1 . . 274622 . . 228 THR CB . 52228 1 1266 . 1 . 1 228 228 THR N N 15 113.6790 0.0000 . 1 . . 239588 . . 228 THR N . 52228 1 1267 . 1 . 1 229 229 HIS H H 1 8.3789 0.0000 . 1 . . 238911 . . 229 HIS H . 52228 1 1268 . 1 . 1 229 229 HIS C C 13 174.4101 0.0000 . 1 . . 852467 . . 229 HIS C . 52228 1 1269 . 1 . 1 229 229 HIS CA C 13 55.0873 0.0000 . 1 . . 852475 . . 229 HIS CA . 52228 1 1270 . 1 . 1 229 229 HIS CB C 13 28.7441 0.0000 . 1 . . 852479 . . 229 HIS CB . 52228 1 1271 . 1 . 1 229 229 HIS N N 15 120.3650 0.0000 . 1 . . 238913 . . 229 HIS N . 52228 1 1272 . 1 . 1 230 230 THR H H 1 8.1020 0.0000 . 1 . . 239421 . . 230 THR H . 52228 1 1273 . 1 . 1 230 230 THR C C 13 173.8074 0.0000 . 1 . . 852498 . . 230 THR C . 52228 1 1274 . 1 . 1 230 230 THR CA C 13 61.3801 0.0000 . 1 . . 852510 . . 230 THR CA . 52228 1 1275 . 1 . 1 230 230 THR CB C 13 69.6013 0.0000 . 1 . . 852504 . . 230 THR CB . 52228 1 1276 . 1 . 1 230 230 THR N N 15 116.1369 0.0000 . 1 . . 239423 . . 230 THR N . 52228 1 1277 . 1 . 1 231 231 ALA H H 1 8.3213 0.0000 . 1 . . 238008 . . 231 ALA H . 52228 1 1278 . 1 . 1 231 231 ALA C C 13 175.6245 0.0000 . 1 . . 542922 . . 231 ALA C . 52228 1 1279 . 1 . 1 231 231 ALA CA C 13 50.2137 0.0000 . 1 . . 268305 . . 231 ALA CA . 52228 1 1280 . 1 . 1 231 231 ALA CB C 13 17.5806 0.0000 . 1 . . 541093 . . 231 ALA CB . 52228 1 1281 . 1 . 1 231 231 ALA N N 15 127.7267 0.0000 . 1 . . 238010 . . 231 ALA N . 52228 1 1282 . 1 . 1 232 232 PRO C C 13 177.7196 0.0000 . 1 . . 523684 . . 232 PRO C . 52228 1 1283 . 1 . 1 232 232 PRO CA C 13 62.9996 0.0000 . 1 . . 523686 . . 232 PRO CA . 52228 1 1284 . 1 . 1 232 232 PRO CB C 13 31.2647 0.0000 . 1 . . 523686 . . 232 PRO CB . 52228 1 1285 . 1 . 1 233 233 GLY H H 1 8.3999 0.0000 . 1 . . 483344 . . 233 GLY H . 52228 1 1286 . 1 . 1 233 233 GLY C C 13 174.8230 0.0000 . 1 . . . . . 233 GLY C . 52228 1 1287 . 1 . 1 233 233 GLY CA C 13 45.0442 0.0000 . 1 . . . . . 233 GLY CA . 52228 1 1288 . 1 . 1 233 233 GLY N N 15 109.1178 0.0000 . 1 . . 483346 . . 233 GLY N . 52228 1 1289 . 1 . 1 263 263 SER C C 13 174.7597 0.0000 . 1 . . 857918 . . 263 SER C . 52228 1 1290 . 1 . 1 263 263 SER CA C 13 58.0042 0.0000 . 1 . . 857928 . . 263 SER CA . 52228 1 1291 . 1 . 1 263 263 SER CB C 13 58.0268 0.0000 . 1 . . 857930 . . 263 SER CB . 52228 1 1292 . 1 . 1 264 264 SER H H 1 8.3754 0.0000 . 1 . . 260643 . . 264 SER H . 52228 1 1293 . 1 . 1 264 264 SER CA C 13 58.3308 0.0000 . 1 . . 857932 . . 264 SER CA . 52228 1 1294 . 1 . 1 264 264 SER CB C 13 63.1824 0.0000 . 1 . . 857931 . . 264 SER CB . 52228 1 1295 . 1 . 1 264 264 SER N N 15 117.5472 0.0000 . 1 . . 260645 . . 264 SER N . 52228 1 1296 . 1 . 1 265 265 GLY H H 1 8.2783 0.0000 . 1 . . 239799 . . 265 GLY H . 52228 1 1297 . 1 . 1 265 265 GLY C C 13 173.8539 0.0000 . 1 . . 858007 . . 265 GLY C . 52228 1 1298 . 1 . 1 265 265 GLY CA C 13 44.9892 0.0000 . 1 . . 760296 . . 265 GLY CA . 52228 1 1299 . 1 . 1 265 265 GLY N N 15 110.3031 0.0000 . 1 . . 239801 . . 265 GLY N . 52228 1 1300 . 1 . 1 266 266 LEU H H 1 7.9578 0.0000 . 1 . . 241296 . . 266 LEU H . 52228 1 1301 . 1 . 1 266 266 LEU HD11 H 1 0.9000 0.0000 . 2 . . 762759 . . 266 LEU HD11 . 52228 1 1302 . 1 . 1 266 266 LEU HD12 H 1 0.9000 0.0000 . 2 . . 762759 . . 266 LEU HD11 . 52228 1 1303 . 1 . 1 266 266 LEU HD13 H 1 0.9000 0.0000 . 2 . . 762759 . . 266 LEU HD11 . 52228 1 1304 . 1 . 1 266 266 LEU HD21 H 1 0.8760 0.0000 . 2 . . 762759 . . 266 LEU HD21 . 52228 1 1305 . 1 . 1 266 266 LEU HD22 H 1 0.8760 0.0000 . 2 . . 762759 . . 266 LEU HD21 . 52228 1 1306 . 1 . 1 266 266 LEU HD23 H 1 0.8760 0.0000 . 2 . . 762759 . . 266 LEU HD21 . 52228 1 1307 . 1 . 1 266 266 LEU C C 13 177.0938 0.0000 . 1 . . 760390 . . 266 LEU C . 52228 1 1308 . 1 . 1 266 266 LEU CA C 13 54.9009 0.0000 . 1 . . 535784 . . 266 LEU CA . 52228 1 1309 . 1 . 1 266 266 LEU CB C 13 41.6895 0.0000 . 1 . . 761810 . . 266 LEU CB . 52228 1 1310 . 1 . 1 266 266 LEU CD1 C 13 24.7330 0.0000 . 2 . . 453330 . . 266 LEU CD1 . 52228 1 1311 . 1 . 1 266 266 LEU CD2 C 13 23.5290 0.0000 . 2 . . 453435 . . 266 LEU CD2 . 52228 1 1312 . 1 . 1 266 266 LEU N N 15 121.5256 0.0000 . 1 . . 241298 . . 266 LEU N . 52228 1 1313 . 1 . 1 267 267 VAL H H 1 8.1888 0.0000 . 1 . . 238521 . . 267 VAL H . 52228 1 1314 . 1 . 1 267 267 VAL HG11 H 1 -0.0050 0.0000 . 2 . . . . . 267 VAL HG11 . 52228 1 1315 . 1 . 1 267 267 VAL HG12 H 1 -0.0050 0.0000 . 2 . . . . . 267 VAL HG11 . 52228 1 1316 . 1 . 1 267 267 VAL HG13 H 1 -0.0050 0.0000 . 2 . . . . . 267 VAL HG11 . 52228 1 1317 . 1 . 1 267 267 VAL HG21 H 1 -0.6140 0.0000 . 2 . . . . . 267 VAL HG21 . 52228 1 1318 . 1 . 1 267 267 VAL HG22 H 1 -0.6140 0.0000 . 2 . . . . . 267 VAL HG21 . 52228 1 1319 . 1 . 1 267 267 VAL HG23 H 1 -0.6140 0.0000 . 2 . . . . . 267 VAL HG21 . 52228 1 1320 . 1 . 1 267 267 VAL C C 13 174.5037 0.0000 . 1 . . 480713 . . 267 VAL C . 52228 1 1321 . 1 . 1 267 267 VAL CA C 13 59.4019 0.0000 . 1 . . 480720 . . 267 VAL CA . 52228 1 1322 . 1 . 1 267 267 VAL CB C 13 31.8936 0.0000 . 1 . . 480723 . . 267 VAL CB . 52228 1 1323 . 1 . 1 267 267 VAL CG1 C 13 19.6650 0.0000 . 2 . . . . . 267 VAL CG1 . 52228 1 1324 . 1 . 1 267 267 VAL CG2 C 13 21.8520 0.0000 . 2 . . . . . 267 VAL CG2 . 52228 1 1325 . 1 . 1 267 267 VAL N N 15 123.0833 0.0000 . 1 . . 238523 . . 267 VAL N . 52228 1 1326 . 1 . 1 268 268 PRO C C 13 174.2984 0.0000 . 1 . . 269816 . . 268 PRO C . 52228 1 1327 . 1 . 1 268 268 PRO CA C 13 61.8897 0.0000 . 1 . . 269814 . . 268 PRO CA . 52228 1 1328 . 1 . 1 269 269 ARG H H 1 8.2336 0.0000 . 1 . . 254298 . . 269 ARG H . 52228 1 1329 . 1 . 1 269 269 ARG C C 13 176.6347 0.0000 . 1 . . 427834 . . 269 ARG C . 52228 1 1330 . 1 . 1 269 269 ARG CA C 13 55.9500 0.0000 . 1 . . 427837 . . 269 ARG CA . 52228 1 1331 . 1 . 1 269 269 ARG CB C 13 32.2949 0.0000 . 1 . . 427839 . . 269 ARG CB . 52228 1 1332 . 1 . 1 269 269 ARG N N 15 123.9979 0.0000 . 1 . . 254300 . . 269 ARG N . 52228 1 1333 . 1 . 1 270 270 GLY H H 1 8.2581 0.0000 . 1 . . 251568 . . 270 GLY H . 52228 1 1334 . 1 . 1 270 270 GLY C C 13 174.2623 0.0000 . 1 . . 427835 . . 270 GLY C . 52228 1 1335 . 1 . 1 270 270 GLY CA C 13 45.0832 0.0000 . 1 . . 427840 . . 270 GLY CA . 52228 1 1336 . 1 . 1 270 270 GLY N N 15 116.5058 0.0000 . 1 . . 251570 . . 270 GLY N . 52228 1 1337 . 1 . 1 271 271 SER H H 1 8.3347 0.0000 . 1 . . 239499 . . 271 SER H . 52228 1 1338 . 1 . 1 271 271 SER C C 13 174.3455 0.0000 . 1 . . 274197 . . 271 SER C . 52228 1 1339 . 1 . 1 271 271 SER CA C 13 57.9219 0.0000 . 1 . . 274204 . . 271 SER CA . 52228 1 1340 . 1 . 1 271 271 SER CB C 13 63.2933 0.0000 . 1 . . 274201 . . 271 SER CB . 52228 1 1341 . 1 . 1 271 271 SER N N 15 115.0361 0.0000 . 1 . . 239501 . . 271 SER N . 52228 1 1342 . 1 . 1 272 272 ASP H H 1 8.0942 0.0000 . 1 . . 247428 . . 272 ASP H . 52228 1 1343 . 1 . 1 272 272 ASP C C 13 175.9804 0.0000 . 1 . . 270901 . . 272 ASP C . 52228 1 1344 . 1 . 1 272 272 ASP CA C 13 53.7532 0.0000 . 1 . . 270900 . . 272 ASP CA . 52228 1 1345 . 1 . 1 272 272 ASP CB C 13 40.2061 0.0000 . 1 . . 270903 . . 272 ASP CB . 52228 1 1346 . 1 . 1 272 272 ASP N N 15 122.1964 0.0000 . 1 . . 247430 . . 272 ASP N . 52228 1 1347 . 1 . 1 273 273 ILE H H 1 8.2552 0.0000 . 1 . . 255117 . . 273 ILE H . 52228 1 1348 . 1 . 1 273 273 ILE HD11 H 1 0.6590 0.0000 . 1 . . 454869 . . 273 ILE HD11 . 52228 1 1349 . 1 . 1 273 273 ILE HD12 H 1 0.6590 0.0000 . 1 . . 454869 . . 273 ILE HD11 . 52228 1 1350 . 1 . 1 273 273 ILE HD13 H 1 0.6590 0.0000 . 1 . . 454869 . . 273 ILE HD11 . 52228 1 1351 . 1 . 1 273 273 ILE C C 13 175.9279 0.0000 . 1 . . 270848 . . 273 ILE C . 52228 1 1352 . 1 . 1 273 273 ILE CA C 13 62.4175 0.0000 . 1 . . 270851 . . 273 ILE CA . 52228 1 1353 . 1 . 1 273 273 ILE CB C 13 36.9473 0.0000 . 1 . . 308387 . . 273 ILE CB . 52228 1 1354 . 1 . 1 273 273 ILE CD1 C 13 13.8700 0.0000 . 1 . . 454140 . . 273 ILE CD1 . 52228 1 1355 . 1 . 1 273 273 ILE N N 15 122.0770 0.0000 . 1 . . 255119 . . 273 ILE N . 52228 1 1356 . 1 . 1 274 274 GLN H H 1 8.5526 0.0000 . 1 . . 253089 . . 274 GLN H . 52228 1 1357 . 1 . 1 274 274 GLN C C 13 175.0571 0.0000 . 1 . . 557916 . . 274 GLN C . 52228 1 1358 . 1 . 1 274 274 GLN CA C 13 54.2973 0.0000 . 1 . . 268068 . . 274 GLN CA . 52228 1 1359 . 1 . 1 274 274 GLN CB C 13 29.8291 0.0000 . 1 . . 393935 . . 274 GLN CB . 52228 1 1360 . 1 . 1 274 274 GLN N N 15 128.7778 0.0000 . 1 . . 253091 . . 274 GLN N . 52228 1 1361 . 1 . 1 275 275 MET H H 1 8.8354 0.0000 . 1 . . 238542 . . 275 MET H . 52228 1 1362 . 1 . 1 275 275 MET C C 13 175.8277 0.0000 . 1 . . 319876 . . 275 MET C . 52228 1 1363 . 1 . 1 275 275 MET CA C 13 51.8090 0.0000 . 1 . . 319879 . . 275 MET CA . 52228 1 1364 . 1 . 1 275 275 MET CB C 13 31.8702 0.0000 . 1 . . 319878 . . 275 MET CB . 52228 1 1365 . 1 . 1 275 275 MET N N 15 123.0931 0.0000 . 1 . . 238544 . . 275 MET N . 52228 1 1366 . 1 . 1 276 276 THR H H 1 9.1597 0.0000 . 1 . . 238977 . . 276 THR H . 52228 1 1367 . 1 . 1 276 276 THR C C 13 174.4003 0.0000 . 1 . . 536913 . . 276 THR C . 52228 1 1368 . 1 . 1 276 276 THR CA C 13 62.0277 0.0000 . 1 . . 272296 . . 276 THR CA . 52228 1 1369 . 1 . 1 276 276 THR CB C 13 69.3678 0.0000 . 1 . . 536917 . . 276 THR CB . 52228 1 1370 . 1 . 1 276 276 THR N N 15 119.6977 0.0000 . 1 . . 238979 . . 276 THR N . 52228 1 1371 . 1 . 1 277 277 GLN H H 1 9.7656 0.0000 . 1 . . 252765 . . 277 GLN H . 52228 1 1372 . 1 . 1 277 277 GLN C C 13 175.1682 0.0000 . 1 . . 267812 . . 277 GLN C . 52228 1 1373 . 1 . 1 277 277 GLN CA C 13 55.1392 0.0000 . 1 . . 267818 . . 277 GLN CA . 52228 1 1374 . 1 . 1 277 277 GLN CB C 13 29.6051 0.0000 . 1 . . 267817 . . 277 GLN CB . 52228 1 1375 . 1 . 1 277 277 GLN N N 15 131.4446 0.0000 . 1 . . 252767 . . 277 GLN N . 52228 1 1376 . 1 . 1 278 278 SER H H 1 9.1788 0.0000 . 1 . . 248037 . . 278 SER H . 52228 1 1377 . 1 . 1 278 278 SER C C 13 171.6914 0.0000 . 1 . . 353739 . . 278 SER C . 52228 1 1378 . 1 . 1 278 278 SER CA C 13 55.3578 0.0000 . 1 . . 353741 . . 278 SER CA . 52228 1 1379 . 1 . 1 278 278 SER N N 15 119.5151 0.0000 . 1 . . 248039 . . 278 SER N . 52228 1 1380 . 1 . 1 279 279 PRO C C 13 175.9597 0.0000 . 1 . . 838364 . . 279 PRO C . 52228 1 1381 . 1 . 1 279 279 PRO CA C 13 62.7811 0.0000 . 1 . . 499271 . . 279 PRO CA . 52228 1 1382 . 1 . 1 279 279 PRO CB C 13 34.2343 0.0000 . 1 . . 499275 . . 279 PRO CB . 52228 1 1383 . 1 . 1 280 280 SER H H 1 9.0831 0.0000 . 1 . . 483449 . . 280 SER H . 52228 1 1384 . 1 . 1 280 280 SER C C 13 175.5028 0.0000 . 1 . . 499319 . . 280 SER C . 52228 1 1385 . 1 . 1 280 280 SER CA C 13 60.6146 0.0000 . 1 . . 274111 . . 280 SER CA . 52228 1 1386 . 1 . 1 280 280 SER CB C 13 62.5351 0.0000 . 1 . . 499329 . . 280 SER CB . 52228 1 1387 . 1 . 1 280 280 SER N N 15 115.5545 0.0000 . 1 . . 483451 . . 280 SER N . 52228 1 1388 . 1 . 1 281 281 SER H H 1 7.7481 0.0000 . 1 . . 257223 . . 281 SER H . 52228 1 1389 . 1 . 1 281 281 SER C C 13 171.9426 0.0000 . 1 . . 354577 . . 281 SER C . 52228 1 1390 . 1 . 1 281 281 SER CA C 13 56.7740 0.0000 . 1 . . 274107 . . 281 SER CA . 52228 1 1391 . 1 . 1 281 281 SER CB C 13 64.4626 0.0000 . 1 . . 354581 . . 281 SER CB . 52228 1 1392 . 1 . 1 281 281 SER N N 15 115.1740 0.0000 . 1 . . 257225 . . 281 SER N . 52228 1 1393 . 1 . 1 282 282 LEU H H 1 8.9824 0.0000 . 1 . . 238437 . . 282 LEU H . 52228 1 1394 . 1 . 1 282 282 LEU HD11 H 1 0.8460 0.0000 . 2 . . 762798 . . 282 LEU HD11 . 52228 1 1395 . 1 . 1 282 282 LEU HD12 H 1 0.8460 0.0000 . 2 . . 762798 . . 282 LEU HD11 . 52228 1 1396 . 1 . 1 282 282 LEU HD13 H 1 0.8460 0.0000 . 2 . . 762798 . . 282 LEU HD11 . 52228 1 1397 . 1 . 1 282 282 LEU HD21 H 1 0.8520 0.0000 . 2 . . 762798 . . 282 LEU HD21 . 52228 1 1398 . 1 . 1 282 282 LEU HD22 H 1 0.8520 0.0000 . 2 . . 762798 . . 282 LEU HD21 . 52228 1 1399 . 1 . 1 282 282 LEU HD23 H 1 0.8520 0.0000 . 2 . . 762798 . . 282 LEU HD21 . 52228 1 1400 . 1 . 1 282 282 LEU C C 13 174.2489 0.0000 . 1 . . 354561 . . 282 LEU C . 52228 1 1401 . 1 . 1 282 282 LEU CA C 13 54.5178 0.0000 . 1 . . 354573 . . 282 LEU CA . 52228 1 1402 . 1 . 1 282 282 LEU CB C 13 44.8615 0.0000 . 1 . . 354565 . . 282 LEU CB . 52228 1 1403 . 1 . 1 282 282 LEU CD1 C 13 20.7840 0.0000 . 2 . . 453243 . . 282 LEU CD1 . 52228 1 1404 . 1 . 1 282 282 LEU CD2 C 13 26.3930 0.0000 . 2 . . 456781 . . 282 LEU CD2 . 52228 1 1405 . 1 . 1 282 282 LEU N N 15 124.0652 0.0000 . 1 . . 238439 . . 282 LEU N . 52228 1 1406 . 1 . 1 283 283 SER H H 1 8.6421 0.0000 . 1 . . 239109 . . 283 SER H . 52228 1 1407 . 1 . 1 283 283 SER C C 13 173.2348 0.0000 . 1 . . 333679 . . 283 SER C . 52228 1 1408 . 1 . 1 283 283 SER CA C 13 56.2185 0.0000 . 1 . . 333688 . . 283 SER CA . 52228 1 1409 . 1 . 1 283 283 SER CB C 13 63.8726 0.0000 . 1 . . 333684 . . 283 SER CB . 52228 1 1410 . 1 . 1 283 283 SER N N 15 118.7327 0.0000 . 1 . . 239111 . . 283 SER N . 52228 1 1411 . 1 . 1 284 284 ALA H H 1 9.1326 0.0000 . 1 . . 238086 . . 284 ALA H . 52228 1 1412 . 1 . 1 284 284 ALA C C 13 175.0340 0.0000 . 1 . . 310292 . . 284 ALA C . 52228 1 1413 . 1 . 1 284 284 ALA CA C 13 50.7942 0.0000 . 1 . . 268510 . . 284 ALA CA . 52228 1 1414 . 1 . 1 284 284 ALA CB C 13 22.8579 0.0000 . 1 . . 336631 . . 284 ALA CB . 52228 1 1415 . 1 . 1 284 284 ALA N N 15 127.1951 0.0000 . 1 . . 238088 . . 284 ALA N . 52228 1 1416 . 1 . 1 285 285 SER H H 1 8.7149 0.0000 . 1 . . 256731 . . 285 SER H . 52228 1 1417 . 1 . 1 285 285 SER C C 13 173.8847 0.0000 . 1 . . 336609 . . 285 SER C . 52228 1 1418 . 1 . 1 285 285 SER CA C 13 56.6906 0.0000 . 1 . . 336616 . . 285 SER CA . 52228 1 1419 . 1 . 1 285 285 SER CB C 13 64.4238 0.0000 . 1 . . 336613 . . 285 SER CB . 52228 1 1420 . 1 . 1 285 285 SER N N 15 116.9380 0.0000 . 1 . . 256733 . . 285 SER N . 52228 1 1421 . 1 . 1 286 286 VAL H H 1 8.5004 0.0000 . 1 . . 456883 . . 286 VAL H . 52228 1 1422 . 1 . 1 286 286 VAL HG11 H 1 1.0180 0.0000 . 2 . . . . . 286 VAL HG11 . 52228 1 1423 . 1 . 1 286 286 VAL HG12 H 1 1.0180 0.0000 . 2 . . . . . 286 VAL HG11 . 52228 1 1424 . 1 . 1 286 286 VAL HG13 H 1 1.0180 0.0000 . 2 . . . . . 286 VAL HG11 . 52228 1 1425 . 1 . 1 286 286 VAL HG21 H 1 1.0210 0.0000 . 2 . . . . . 286 VAL HG21 . 52228 1 1426 . 1 . 1 286 286 VAL HG22 H 1 1.0210 0.0000 . 2 . . . . . 286 VAL HG21 . 52228 1 1427 . 1 . 1 286 286 VAL HG23 H 1 1.0210 0.0000 . 2 . . . . . 286 VAL HG21 . 52228 1 1428 . 1 . 1 286 286 VAL C C 13 177.9467 0.0000 . 1 . . 335288 . . 286 VAL C . 52228 1 1429 . 1 . 1 286 286 VAL CA C 13 64.6569 0.0000 . 1 . . 335289 . . 286 VAL CA . 52228 1 1430 . 1 . 1 286 286 VAL CB C 13 30.4937 0.0000 . 1 . . 335289 . . 286 VAL CB . 52228 1 1431 . 1 . 1 286 286 VAL CG1 C 13 20.5900 0.0000 . 2 . . 453858 . . 286 VAL CG1 . 52228 1 1432 . 1 . 1 286 286 VAL CG2 C 13 23.0120 0.0000 . 2 . . 453540 . . 286 VAL CG2 . 52228 1 1433 . 1 . 1 286 286 VAL N N 15 122.7537 0.0000 . 1 . . 456885 . . 286 VAL N . 52228 1 1434 . 1 . 1 287 287 GLY H H 1 10.0475 0.0000 . 1 . . 239196 . . 287 GLY H . 52228 1 1435 . 1 . 1 287 287 GLY C C 13 174.7855 0.0000 . 1 . . 457151 . . 287 GLY C . 52228 1 1436 . 1 . 1 287 287 GLY CA C 13 44.0290 0.0000 . 1 . . 457153 . . 287 GLY CA . 52228 1 1437 . 1 . 1 287 287 GLY N N 15 117.8859 0.0000 . 1 . . 239198 . . 287 GLY N . 52228 1 1438 . 1 . 1 288 288 ASP H H 1 8.0510 0.0000 . 1 . . 238749 . . 288 ASP H . 52228 1 1439 . 1 . 1 288 288 ASP C C 13 174.7831 0.0000 . 1 . . 457170 . . 288 ASP C . 52228 1 1440 . 1 . 1 288 288 ASP CA C 13 54.3926 0.0000 . 1 . . 457173 . . 288 ASP CA . 52228 1 1441 . 1 . 1 288 288 ASP N N 15 121.9681 0.0000 . 1 . . 238751 . . 288 ASP N . 52228 1 1442 . 1 . 1 289 289 ARG H H 1 8.1113 0.0000 . 1 . . 238920 . . 289 ARG H . 52228 1 1443 . 1 . 1 289 289 ARG C C 13 176.6614 0.0000 . 1 . . 330308 . . 289 ARG C . 52228 1 1444 . 1 . 1 289 289 ARG CA C 13 54.2284 0.0000 . 1 . . 330316 . . 289 ARG CA . 52228 1 1445 . 1 . 1 289 289 ARG CB C 13 30.4478 0.0000 . 1 . . 330315 . . 289 ARG CB . 52228 1 1446 . 1 . 1 289 289 ARG N N 15 120.0085 0.0000 . 1 . . 238922 . . 289 ARG N . 52228 1 1447 . 1 . 1 290 290 VAL H H 1 8.4707 0.0000 . 1 . . 250614 . . 290 VAL H . 52228 1 1448 . 1 . 1 290 290 VAL HG11 H 1 0.6630 0.0000 . 2 . . 762801 . . 290 VAL HG11 . 52228 1 1449 . 1 . 1 290 290 VAL HG12 H 1 0.6630 0.0000 . 2 . . 762801 . . 290 VAL HG11 . 52228 1 1450 . 1 . 1 290 290 VAL HG13 H 1 0.6630 0.0000 . 2 . . 762801 . . 290 VAL HG11 . 52228 1 1451 . 1 . 1 290 290 VAL HG21 H 1 0.6610 0.0000 . 2 . . 762801 . . 290 VAL HG21 . 52228 1 1452 . 1 . 1 290 290 VAL HG22 H 1 0.6610 0.0000 . 2 . . 762801 . . 290 VAL HG21 . 52228 1 1453 . 1 . 1 290 290 VAL HG23 H 1 0.6610 0.0000 . 2 . . 762801 . . 290 VAL HG21 . 52228 1 1454 . 1 . 1 290 290 VAL C C 13 173.7942 0.0000 . 1 . . 319295 . . 290 VAL C . 52228 1 1455 . 1 . 1 290 290 VAL CA C 13 59.8277 0.0000 . 1 . . 319300 . . 290 VAL CA . 52228 1 1456 . 1 . 1 290 290 VAL CB C 13 34.7504 0.0000 . 1 . . 319302 . . 290 VAL CB . 52228 1 1457 . 1 . 1 290 290 VAL CG1 C 13 21.8390 0.0000 . 2 . . 453606 . . 290 VAL CG1 . 52228 1 1458 . 1 . 1 290 290 VAL CG2 C 13 20.5500 0.0000 . 2 . . 453813 . . 290 VAL CG2 . 52228 1 1459 . 1 . 1 290 290 VAL N N 15 123.4938 0.0000 . 1 . . 250616 . . 290 VAL N . 52228 1 1460 . 1 . 1 291 291 THR H H 1 8.0378 0.0000 . 1 . . 248241 . . 291 THR H . 52228 1 1461 . 1 . 1 291 291 THR C C 13 172.9557 0.0000 . 1 . . 335545 . . 291 THR C . 52228 1 1462 . 1 . 1 291 291 THR CA C 13 60.7385 0.0000 . 1 . . 335551 . . 291 THR CA . 52228 1 1463 . 1 . 1 291 291 THR CB C 13 71.2516 0.0000 . 1 . . 335550 . . 291 THR CB . 52228 1 1464 . 1 . 1 291 291 THR N N 15 117.7090 0.0000 . 1 . . 248243 . . 291 THR N . 52228 1 1465 . 1 . 1 292 292 ILE H H 1 9.0559 0.0000 . 1 . . 238158 . . 292 ILE H . 52228 1 1466 . 1 . 1 292 292 ILE HD11 H 1 0.4110 0.0000 . 1 . . 454968 . . 292 ILE HD11 . 52228 1 1467 . 1 . 1 292 292 ILE HD12 H 1 0.4110 0.0000 . 1 . . 454968 . . 292 ILE HD11 . 52228 1 1468 . 1 . 1 292 292 ILE HD13 H 1 0.4110 0.0000 . 1 . . 454968 . . 292 ILE HD11 . 52228 1 1469 . 1 . 1 292 292 ILE C C 13 174.3273 0.0000 . 1 . . 760987 . . 292 ILE C . 52228 1 1470 . 1 . 1 292 292 ILE CA C 13 60.6260 0.0000 . 1 . . 332668 . . 292 ILE CA . 52228 1 1471 . 1 . 1 292 292 ILE CB C 13 40.4480 0.0000 . 1 . . 760991 . . 292 ILE CB . 52228 1 1472 . 1 . 1 292 292 ILE CD1 C 13 13.5890 0.0000 . 1 . . 454149 . . 292 ILE CD1 . 52228 1 1473 . 1 . 1 292 292 ILE N N 15 126.4625 0.0000 . 1 . . 238160 . . 292 ILE N . 52228 1 1474 . 1 . 1 293 293 THR H H 1 8.7497 0.0000 . 1 . . 239076 . . 293 THR H . 52228 1 1475 . 1 . 1 293 293 THR C C 13 174.0836 0.0000 . 1 . . 332666 . . 293 THR C . 52228 1 1476 . 1 . 1 293 293 THR CA C 13 61.4747 0.0000 . 1 . . 332671 . . 293 THR CA . 52228 1 1477 . 1 . 1 293 293 THR CB C 13 71.0971 0.0000 . 1 . . 332670 . . 293 THR CB . 52228 1 1478 . 1 . 1 293 293 THR N N 15 119.1488 0.0000 . 1 . . 239078 . . 293 THR N . 52228 1 1479 . 1 . 1 294 294 CYS H H 1 10.0167 0.0000 . 1 . . 254334 . . 294 CYS H . 52228 1 1480 . 1 . 1 294 294 CYS C C 13 171.8035 0.0000 . 1 . . 269960 . . 294 CYS C . 52228 1 1481 . 1 . 1 294 294 CYS CA C 13 54.8879 0.0000 . 1 . . 269964 . . 294 CYS CA . 52228 1 1482 . 1 . 1 294 294 CYS CB C 13 47.1454 0.0000 . 1 . . 269961 . . 294 CYS CB . 52228 1 1483 . 1 . 1 294 294 CYS N N 15 123.8145 0.0000 . 1 . . 254336 . . 294 CYS N . 52228 1 1484 . 1 . 1 295 295 ARG H H 1 8.9839 0.0000 . 1 . . 253749 . . 295 ARG H . 52228 1 1485 . 1 . 1 295 295 ARG C C 13 175.6043 0.0000 . 1 . . 269017 . . 295 ARG C . 52228 1 1486 . 1 . 1 295 295 ARG CA C 13 54.4090 0.0000 . 1 . . 269016 . . 295 ARG CA . 52228 1 1487 . 1 . 1 295 295 ARG CB C 13 31.8585 0.0000 . 1 . . 269018 . . 295 ARG CB . 52228 1 1488 . 1 . 1 295 295 ARG N N 15 125.8522 0.0000 . 1 . . 253751 . . 295 ARG N . 52228 1 1489 . 1 . 1 296 296 ALA H H 1 9.2302 0.0000 . 1 . . 252864 . . 296 ALA H . 52228 1 1490 . 1 . 1 296 296 ALA C C 13 179.0075 0.0000 . 1 . . 469132 . . 296 ALA C . 52228 1 1491 . 1 . 1 296 296 ALA CA C 13 50.7902 0.0000 . 1 . . 306560 . . 296 ALA CA . 52228 1 1492 . 1 . 1 296 296 ALA CB C 13 21.9649 0.0000 . 1 . . 469144 . . 296 ALA CB . 52228 1 1493 . 1 . 1 296 296 ALA N N 15 130.6040 0.0000 . 1 . . 252866 . . 296 ALA N . 52228 1 1494 . 1 . 1 297 297 SER H H 1 8.4550 0.0000 . 1 . . 239514 . . 297 SER H . 52228 1 1495 . 1 . 1 297 297 SER C C 13 179.0175 0.0000 . 1 . . 274164 . . 297 SER C . 52228 1 1496 . 1 . 1 297 297 SER CA C 13 60.1545 0.0000 . 1 . . 274173 . . 297 SER CA . 52228 1 1497 . 1 . 1 297 297 SER CB C 13 62.3802 0.0000 . 1 . . 469027 . . 297 SER CB . 52228 1 1498 . 1 . 1 297 297 SER N N 15 114.9168 0.0000 . 1 . . 239516 . . 297 SER N . 52228 1 1499 . 1 . 1 298 298 GLN H H 1 7.3939 0.0000 . 1 . . 256794 . . 298 GLN H . 52228 1 1500 . 1 . 1 298 298 GLN C C 13 172.5412 0.0000 . 1 . . 469056 . . 298 GLN C . 52228 1 1501 . 1 . 1 298 298 GLN CA C 13 53.3015 0.0000 . 1 . . 273630 . . 298 GLN CA . 52228 1 1502 . 1 . 1 298 298 GLN CB C 13 31.9828 0.0000 . 1 . . 469068 . . 298 GLN CB . 52228 1 1503 . 1 . 1 298 298 GLN N N 15 116.4106 0.0000 . 1 . . 256796 . . 298 GLN N . 52228 1 1504 . 1 . 1 299 299 ASP H H 1 7.9992 0.0000 . 1 . . 239322 . . 299 ASP H . 52228 1 1505 . 1 . 1 299 299 ASP C C 13 175.6356 0.0000 . 1 . . 469072 . . 299 ASP C . 52228 1 1506 . 1 . 1 299 299 ASP CA C 13 55.5595 0.0000 . 1 . . 469080 . . 299 ASP CA . 52228 1 1507 . 1 . 1 299 299 ASP CB C 13 40.7719 0.0000 . 1 . . 469082 . . 299 ASP CB . 52228 1 1508 . 1 . 1 299 299 ASP N N 15 116.6654 0.0000 . 1 . . 239324 . . 299 ASP N . 52228 1 1509 . 1 . 1 300 300 VAL H H 1 7.7294 0.0000 . 1 . . 256362 . . 300 VAL H . 52228 1 1510 . 1 . 1 300 300 VAL HG11 H 1 0.6500 0.0000 . 2 . . 454875 . . 300 VAL HG11 . 52228 1 1511 . 1 . 1 300 300 VAL HG12 H 1 0.6500 0.0000 . 2 . . 454875 . . 300 VAL HG11 . 52228 1 1512 . 1 . 1 300 300 VAL HG13 H 1 0.6500 0.0000 . 2 . . 454875 . . 300 VAL HG11 . 52228 1 1513 . 1 . 1 300 300 VAL HG21 H 1 0.4090 0.0000 . 2 . . 454977 . . 300 VAL HG21 . 52228 1 1514 . 1 . 1 300 300 VAL HG22 H 1 0.4090 0.0000 . 2 . . 454977 . . 300 VAL HG21 . 52228 1 1515 . 1 . 1 300 300 VAL HG23 H 1 0.4090 0.0000 . 2 . . 454977 . . 300 VAL HG21 . 52228 1 1516 . 1 . 1 300 300 VAL C C 13 174.4494 0.0000 . 1 . . 469100 . . 300 VAL C . 52228 1 1517 . 1 . 1 300 300 VAL CA C 13 58.4300 0.0000 . 1 . . 335034 . . 300 VAL CA . 52228 1 1518 . 1 . 1 300 300 VAL CB C 13 31.0140 0.0000 . 1 . . 469110 . . 300 VAL CB . 52228 1 1519 . 1 . 1 300 300 VAL CG1 C 13 22.0600 0.0000 . 2 . . 838503 . . 300 VAL CG1 . 52228 1 1520 . 1 . 1 300 300 VAL CG2 C 13 19.5100 0.0000 . 2 . . 453972 . . 300 VAL CG2 . 52228 1 1521 . 1 . 1 300 300 VAL N N 15 118.0059 0.0000 . 1 . . 256364 . . 300 VAL N . 52228 1 1522 . 1 . 1 301 301 ASN H H 1 8.4802 0.0000 . 1 . . 255498 . . 301 ASN H . 52228 1 1523 . 1 . 1 301 301 ASN C C 13 174.1991 0.0000 . 1 . . 469086 . . 301 ASN C . 52228 1 1524 . 1 . 1 301 301 ASN CA C 13 55.0100 0.0000 . 1 . . 469094 . . 301 ASN CA . 52228 1 1525 . 1 . 1 301 301 ASN CB C 13 37.9959 0.0000 . 1 . . 469098 . . 301 ASN CB . 52228 1 1526 . 1 . 1 301 301 ASN N N 15 120.8752 0.0000 . 1 . . 255500 . . 301 ASN N . 52228 1 1527 . 1 . 1 302 302 THR H H 1 8.0587 0.0000 . 1 . . 242778 . . 302 THR H . 52228 1 1528 . 1 . 1 302 302 THR C C 13 174.6856 0.0000 . 1 . . 469112 . . 302 THR C . 52228 1 1529 . 1 . 1 302 302 THR CA C 13 59.7485 0.0000 . 1 . . 275653 . . 302 THR CA . 52228 1 1530 . 1 . 1 302 302 THR CB C 13 68.1527 0.0000 . 1 . . 469116 . . 302 THR CB . 52228 1 1531 . 1 . 1 302 302 THR N N 15 111.2540 0.0000 . 1 . . 242780 . . 302 THR N . 52228 1 1532 . 1 . 1 303 303 ALA H H 1 7.9899 0.0000 . 1 . . 240267 . . 303 ALA H . 52228 1 1533 . 1 . 1 303 303 ALA C C 13 174.8415 0.0000 . 1 . . 522313 . . 303 ALA C . 52228 1 1534 . 1 . 1 303 303 ALA CA C 13 51.1575 0.0000 . 1 . . 268281 . . 303 ALA CA . 52228 1 1535 . 1 . 1 303 303 ALA CB C 13 15.4649 0.0000 . 1 . . 522317 . . 303 ALA CB . 52228 1 1536 . 1 . 1 303 303 ALA N N 15 127.6612 0.0000 . 1 . . 240269 . . 303 ALA N . 52228 1 1537 . 1 . 1 304 304 VAL H H 1 7.9642 0.0000 . 1 . . 260016 . . 304 VAL H . 52228 1 1538 . 1 . 1 304 304 VAL HG11 H 1 0.8200 0.0000 . 2 . . . . . 304 VAL HG11 . 52228 1 1539 . 1 . 1 304 304 VAL HG12 H 1 0.8200 0.0000 . 2 . . . . . 304 VAL HG11 . 52228 1 1540 . 1 . 1 304 304 VAL HG13 H 1 0.8200 0.0000 . 2 . . . . . 304 VAL HG11 . 52228 1 1541 . 1 . 1 304 304 VAL HG21 H 1 0.9300 0.0000 . 2 . . . . . 304 VAL HG21 . 52228 1 1542 . 1 . 1 304 304 VAL HG22 H 1 0.9300 0.0000 . 2 . . . . . 304 VAL HG21 . 52228 1 1543 . 1 . 1 304 304 VAL HG23 H 1 0.9300 0.0000 . 2 . . . . . 304 VAL HG21 . 52228 1 1544 . 1 . 1 304 304 VAL CA C 13 59.5761 0.0000 . 1 . . 324332 . . 304 VAL CA . 52228 1 1545 . 1 . 1 304 304 VAL CB C 13 36.1964 0.0000 . 1 . . 324330 . . 304 VAL CB . 52228 1 1546 . 1 . 1 304 304 VAL CG1 C 13 21.5100 0.0000 . 2 . . . . . 304 VAL CG1 . 52228 1 1547 . 1 . 1 304 304 VAL CG2 C 13 21.1810 0.0000 . 2 . . . . . 304 VAL CG2 . 52228 1 1548 . 1 . 1 304 304 VAL N N 15 121.8387 0.0000 . 1 . . 260018 . . 304 VAL N . 52228 1 1549 . 1 . 1 305 305 ALA C C 13 175.7359 0.0000 . 1 . . 337976 . . 305 ALA C . 52228 1 1550 . 1 . 1 305 305 ALA CA C 13 48.5853 0.0000 . 1 . . 337979 . . 305 ALA CA . 52228 1 1551 . 1 . 1 305 305 ALA CB C 13 22.8126 0.0000 . 1 . . 338002 . . 305 ALA CB . 52228 1 1552 . 1 . 1 306 306 TRP H H 1 8.5513 0.0000 . 1 . . 257169 . . 306 TRP H . 52228 1 1553 . 1 . 1 306 306 TRP C C 13 175.4275 0.0000 . 1 . . 337977 . . 306 TRP C . 52228 1 1554 . 1 . 1 306 306 TRP CA C 13 55.3188 0.0000 . 1 . . 337983 . . 306 TRP CA . 52228 1 1555 . 1 . 1 306 306 TRP CB C 13 33.0340 0.0000 . 1 . . 337982 . . 306 TRP CB . 52228 1 1556 . 1 . 1 306 306 TRP N N 15 115.5964 0.0000 . 1 . . 257171 . . 306 TRP N . 52228 1 1557 . 1 . 1 307 307 TYR H H 1 9.6509 0.0000 . 1 . . 239160 . . 307 TYR H . 52228 1 1558 . 1 . 1 307 307 TYR C C 13 174.4074 0.0000 . 1 . . 432469 . . 307 TYR C . 52228 1 1559 . 1 . 1 307 307 TYR CA C 13 55.9744 0.0000 . 1 . . 270723 . . 307 TYR CA . 52228 1 1560 . 1 . 1 307 307 TYR CB C 13 42.0418 0.0000 . 1 . . 335092 . . 307 TYR CB . 52228 1 1561 . 1 . 1 307 307 TYR N N 15 118.1266 0.0000 . 1 . . 239162 . . 307 TYR N . 52228 1 1562 . 1 . 1 308 308 GLN H H 1 9.3931 0.0000 . 1 . . 254913 . . 308 GLN H . 52228 1 1563 . 1 . 1 308 308 GLN C C 13 174.1806 0.0000 . 1 . . 427505 . . 308 GLN C . 52228 1 1564 . 1 . 1 308 308 GLN CA C 13 53.2410 0.0000 . 1 . . 270719 . . 308 GLN CA . 52228 1 1565 . 1 . 1 308 308 GLN CB C 13 34.0652 0.0000 . 1 . . 270716 . . 308 GLN CB . 52228 1 1566 . 1 . 1 308 308 GLN N N 15 122.3992 0.0000 . 1 . . 254915 . . 308 GLN N . 52228 1 1567 . 1 . 1 309 309 GLN H H 1 9.6774 0.0000 . 1 . . 253086 . . 309 GLN H . 52228 1 1568 . 1 . 1 309 309 GLN C C 13 174.5535 0.0000 . 1 . . 427460 . . 309 GLN C . 52228 1 1569 . 1 . 1 309 309 GLN CA C 13 54.9350 0.0000 . 1 . . 427468 . . 309 GLN CA . 52228 1 1570 . 1 . 1 309 309 GLN CB C 13 31.8508 0.0000 . 1 . . 427471 . . 309 GLN CB . 52228 1 1571 . 1 . 1 309 309 GLN N N 15 128.4483 0.0000 . 1 . . 253088 . . 309 GLN N . 52228 1 1572 . 1 . 1 310 310 LYS H H 1 8.6284 0.0000 . 1 . . 252801 . . 310 LYS H . 52228 1 1573 . 1 . 1 310 310 LYS C C 13 173.2496 0.0000 . 1 . . 540828 . . 310 LYS C . 52228 1 1574 . 1 . 1 310 310 LYS CA C 13 53.6163 0.0000 . 1 . . . . . 310 LYS CA . 52228 1 1575 . 1 . 1 310 310 LYS CB C 13 31.0442 0.0000 . 1 . . 540830 . . 310 LYS CB . 52228 1 1576 . 1 . 1 310 310 LYS N N 15 131.3823 0.0000 . 1 . . 252803 . . 310 LYS N . 52228 1 1577 . 1 . 1 311 311 PRO C C 13 178.2697 0.0000 . 1 . . 275396 . . 311 PRO C . 52228 1 1578 . 1 . 1 311 311 PRO CA C 13 64.0559 0.0000 . 1 . . 275401 . . 311 PRO CA . 52228 1 1579 . 1 . 1 311 311 PRO CB C 13 30.8326 0.0000 . 1 . . 275401 . . 311 PRO CB . 52228 1 1580 . 1 . 1 312 312 GLY H H 1 8.6600 0.0000 . 1 . . . . . 312 GLY H . 52228 1 1581 . 1 . 1 312 312 GLY C C 13 174.0777 0.0000 . 1 . . 432653 . . 312 GLY C . 52228 1 1582 . 1 . 1 312 312 GLY CA C 13 45.4406 0.0000 . 1 . . 432755 . . 312 GLY CA . 52228 1 1583 . 1 . 1 312 312 GLY N N 15 112.5100 0.0000 . 1 . . . . . 312 GLY N . 52228 1 1584 . 1 . 1 313 313 LYS H H 1 7.9845 0.0000 . 1 . . 247851 . . 313 LYS H . 52228 1 1585 . 1 . 1 313 313 LYS C C 13 175.3358 0.0000 . 1 . . 272146 . . 313 LYS C . 52228 1 1586 . 1 . 1 313 313 LYS CA C 13 53.1730 0.0000 . 1 . . 272149 . . 313 LYS CA . 52228 1 1587 . 1 . 1 313 313 LYS CB C 13 34.3707 0.0000 . 1 . . 272151 . . 313 LYS CB . 52228 1 1588 . 1 . 1 313 313 LYS N N 15 120.0650 0.0000 . 1 . . 247853 . . 313 LYS N . 52228 1 1589 . 1 . 1 314 314 ALA H H 1 8.1062 0.0000 . 1 . . 247665 . . 314 ALA H . 52228 1 1590 . 1 . 1 314 314 ALA CA C 13 49.9361 0.0000 . 1 . . 327818 . . 314 ALA CA . 52228 1 1591 . 1 . 1 314 314 ALA N N 15 121.0048 0.0000 . 1 . . 247667 . . 314 ALA N . 52228 1 1592 . 1 . 1 315 315 PRO C C 13 172.8238 0.0000 . 1 . . 504410 . . 315 PRO C . 52228 1 1593 . 1 . 1 315 315 PRO CA C 13 61.9024 0.0000 . 1 . . 504412 . . 315 PRO CA . 52228 1 1594 . 1 . 1 315 315 PRO CB C 13 30.3233 0.0000 . 1 . . 504414 . . 315 PRO CB . 52228 1 1595 . 1 . 1 316 316 LYS H H 1 8.5750 0.0000 . 1 . . 256215 . . 316 LYS H . 52228 1 1596 . 1 . 1 316 316 LYS C C 13 176.0501 0.0000 . 1 . . 516883 . . 316 LYS C . 52228 1 1597 . 1 . 1 316 316 LYS CA C 13 53.6480 0.0000 . 1 . . 504416 . . 316 LYS CA . 52228 1 1598 . 1 . 1 316 316 LYS CB C 13 34.9143 0.0000 . 1 . . 516893 . . 316 LYS CB . 52228 1 1599 . 1 . 1 316 316 LYS N N 15 118.6262 0.0000 . 1 . . 256217 . . 316 LYS N . 52228 1 1600 . 1 . 1 317 317 LEU H H 1 8.9886 0.0000 . 1 . . 237975 . . 317 LEU H . 52228 1 1601 . 1 . 1 317 317 LEU HD11 H 1 0.0680 0.0000 . 2 . . . . . 317 LEU HD11 . 52228 1 1602 . 1 . 1 317 317 LEU HD12 H 1 0.0680 0.0000 . 2 . . . . . 317 LEU HD11 . 52228 1 1603 . 1 . 1 317 317 LEU HD13 H 1 0.0680 0.0000 . 2 . . . . . 317 LEU HD11 . 52228 1 1604 . 1 . 1 317 317 LEU HD21 H 1 0.4020 0.0000 . 2 . . . . . 317 LEU HD21 . 52228 1 1605 . 1 . 1 317 317 LEU HD22 H 1 0.4020 0.0000 . 2 . . . . . 317 LEU HD21 . 52228 1 1606 . 1 . 1 317 317 LEU HD23 H 1 0.4020 0.0000 . 2 . . . . . 317 LEU HD21 . 52228 1 1607 . 1 . 1 317 317 LEU C C 13 174.5661 0.0000 . 1 . . 268201 . . 317 LEU C . 52228 1 1608 . 1 . 1 317 317 LEU CA C 13 55.9760 0.0000 . 1 . . 268208 . . 317 LEU CA . 52228 1 1609 . 1 . 1 317 317 LEU CB C 13 40.6460 0.0000 . 1 . . 500539 . . 317 LEU CB . 52228 1 1610 . 1 . 1 317 317 LEU CD1 C 13 23.1060 0.0000 . 2 . . . . . 317 LEU CD1 . 52228 1 1611 . 1 . 1 317 317 LEU CD2 C 13 27.0240 0.0000 . 2 . . . . . 317 LEU CD2 . 52228 1 1612 . 1 . 1 317 317 LEU N N 15 128.0402 0.0000 . 1 . . 237977 . . 317 LEU N . 52228 1 1613 . 1 . 1 318 318 LEU H H 1 8.8882 0.0000 . 1 . . 238224 . . 318 LEU H . 52228 1 1614 . 1 . 1 318 318 LEU HD11 H 1 0.6170 0.0000 . 2 . . 454848 . . 318 LEU HD11 . 52228 1 1615 . 1 . 1 318 318 LEU HD12 H 1 0.6170 0.0000 . 2 . . 454848 . . 318 LEU HD11 . 52228 1 1616 . 1 . 1 318 318 LEU HD13 H 1 0.6170 0.0000 . 2 . . 454848 . . 318 LEU HD11 . 52228 1 1617 . 1 . 1 318 318 LEU HD21 H 1 0.2640 0.0000 . 2 . . 454971 . . 318 LEU HD21 . 52228 1 1618 . 1 . 1 318 318 LEU HD22 H 1 0.2640 0.0000 . 2 . . 454971 . . 318 LEU HD21 . 52228 1 1619 . 1 . 1 318 318 LEU HD23 H 1 0.2640 0.0000 . 2 . . 454971 . . 318 LEU HD21 . 52228 1 1620 . 1 . 1 318 318 LEU C C 13 175.5224 0.0000 . 1 . . 858409 . . 318 LEU C . 52228 1 1621 . 1 . 1 318 318 LEU CA C 13 54.4312 0.0000 . 1 . . 858415 . . 318 LEU CA . 52228 1 1622 . 1 . 1 318 318 LEU CD1 C 13 26.8450 0.0000 . 2 . . 453213 . . 318 LEU CD1 . 52228 1 1623 . 1 . 1 318 318 LEU CD2 C 13 21.8620 0.0000 . 2 . . 453609 . . 318 LEU CD2 . 52228 1 1624 . 1 . 1 318 318 LEU N N 15 125.9727 0.0000 . 1 . . 238226 . . 318 LEU N . 52228 1 1625 . 1 . 1 319 319 ILE H H 1 6.9533 0.0000 . 1 . . 256725 . . 319 ILE H . 52228 1 1626 . 1 . 1 319 319 ILE HD11 H 1 0.4600 0.0000 . 1 . . 454965 . . 319 ILE HD11 . 52228 1 1627 . 1 . 1 319 319 ILE HD12 H 1 0.4600 0.0000 . 1 . . 454965 . . 319 ILE HD11 . 52228 1 1628 . 1 . 1 319 319 ILE HD13 H 1 0.4600 0.0000 . 1 . . 454965 . . 319 ILE HD11 . 52228 1 1629 . 1 . 1 319 319 ILE CA C 13 56.9676 0.0000 . 1 . . 537228 . . 319 ILE CA . 52228 1 1630 . 1 . 1 319 319 ILE CB C 13 42.4719 0.0000 . 1 . . 858361 . . 319 ILE CB . 52228 1 1631 . 1 . 1 319 319 ILE CD1 C 13 12.1660 0.0000 . 1 . . 454209 . . 319 ILE CD1 . 52228 1 1632 . 1 . 1 319 319 ILE N N 15 117.0177 0.0000 . 1 . . 256727 . . 319 ILE N . 52228 1 1633 . 1 . 1 320 320 TYR H H 1 9.2434 0.0000 . 1 . . 241119 . . 320 TYR H . 52228 1 1634 . 1 . 1 320 320 TYR C C 13 172.5818 0.0000 . 1 . . 858363 . . 320 TYR C . 52228 1 1635 . 1 . 1 320 320 TYR CA C 13 54.5588 0.0000 . 1 . . 356049 . . 320 TYR CA . 52228 1 1636 . 1 . 1 320 320 TYR CB C 13 41.3608 0.0000 . 1 . . 858373 . . 320 TYR CB . 52228 1 1637 . 1 . 1 320 320 TYR N N 15 122.2568 0.0000 . 1 . . 241121 . . 320 TYR N . 52228 1 1638 . 1 . 1 321 321 SER H H 1 9.8727 0.0000 . 1 . . 241881 . . 321 SER H . 52228 1 1639 . 1 . 1 321 321 SER C C 13 172.6556 0.0000 . 1 . . 485426 . . 321 SER C . 52228 1 1640 . 1 . 1 321 321 SER CA C 13 58.6504 0.0000 . 1 . . 541100 . . 321 SER CA . 52228 1 1641 . 1 . 1 321 321 SER CB C 13 62.7048 0.0000 . 1 . . 761032 . . 321 SER CB . 52228 1 1642 . 1 . 1 321 321 SER N N 15 117.7508 0.0000 . 1 . . 241883 . . 321 SER N . 52228 1 1643 . 1 . 1 322 322 ALA H H 1 9.5515 0.0000 . 1 . . 257250 . . 322 ALA H . 52228 1 1644 . 1 . 1 322 322 ALA C C 13 179.2450 0.0000 . 1 . . 450109 . . 322 ALA C . 52228 1 1645 . 1 . 1 322 322 ALA CA C 13 56.9279 0.0000 . 1 . . 450115 . . 322 ALA CA . 52228 1 1646 . 1 . 1 322 322 ALA CB C 13 18.3902 0.0000 . 1 . . 450119 . . 322 ALA CB . 52228 1 1647 . 1 . 1 322 322 ALA N N 15 115.2296 0.0000 . 1 . . 257252 . . 322 ALA N . 52228 1 1648 . 1 . 1 323 323 SER H H 1 8.6541 0.0000 . 1 . . 261423 . . 323 SER H . 52228 1 1649 . 1 . 1 323 323 SER C C 13 174.3409 0.0000 . 1 . . 450121 . . 323 SER C . 52228 1 1650 . 1 . 1 323 323 SER CA C 13 57.4960 0.0000 . 1 . . 450129 . . 323 SER CA . 52228 1 1651 . 1 . 1 323 323 SER CB C 13 65.7735 0.0000 . 1 . . 450131 . . 323 SER CB . 52228 1 1652 . 1 . 1 323 323 SER N N 15 111.1986 0.0000 . 1 . . 261425 . . 323 SER N . 52228 1 1653 . 1 . 1 324 324 PHE H H 1 8.5129 0.0000 . 1 . . 441333 . . 324 PHE H . 52228 1 1654 . 1 . 1 324 324 PHE C C 13 173.8854 0.0000 . 1 . . 441349 . . 324 PHE C . 52228 1 1655 . 1 . 1 324 324 PHE CA C 13 57.2081 0.0000 . 1 . . 269839 . . 324 PHE CA . 52228 1 1656 . 1 . 1 324 324 PHE CB C 13 37.2170 0.0000 . 1 . . 441340 . . 324 PHE CB . 52228 1 1657 . 1 . 1 324 324 PHE N N 15 124.1661 0.0000 . 1 . . 441335 . . 324 PHE N . 52228 1 1658 . 1 . 1 325 325 LEU H H 1 8.4066 0.0000 . 1 . . 238392 . . 325 LEU H . 52228 1 1659 . 1 . 1 325 325 LEU HD11 H 1 0.9260 0.0000 . 2 . . 524303 . . 325 LEU HD11 . 52228 1 1660 . 1 . 1 325 325 LEU HD12 H 1 0.9260 0.0000 . 2 . . 524303 . . 325 LEU HD11 . 52228 1 1661 . 1 . 1 325 325 LEU HD13 H 1 0.9260 0.0000 . 2 . . 524303 . . 325 LEU HD11 . 52228 1 1662 . 1 . 1 325 325 LEU HD21 H 1 0.9210 0.0000 . 2 . . 524303 . . 325 LEU HD21 . 52228 1 1663 . 1 . 1 325 325 LEU HD22 H 1 0.9210 0.0000 . 2 . . 524303 . . 325 LEU HD21 . 52228 1 1664 . 1 . 1 325 325 LEU HD23 H 1 0.9210 0.0000 . 2 . . 524303 . . 325 LEU HD21 . 52228 1 1665 . 1 . 1 325 325 LEU C C 13 177.8971 0.0000 . 1 . . 449236 . . 325 LEU C . 52228 1 1666 . 1 . 1 325 325 LEU CA C 13 55.1069 0.0000 . 1 . . 269838 . . 325 LEU CA . 52228 1 1667 . 1 . 1 325 325 LEU CB C 13 41.9851 0.0000 . 1 . . 449246 . . 325 LEU CB . 52228 1 1668 . 1 . 1 325 325 LEU CD1 C 13 24.7510 0.0000 . 2 . . 469156 . . 325 LEU CD1 . 52228 1 1669 . 1 . 1 325 325 LEU CD2 C 13 20.5890 0.0000 . 2 . . 453312 . . 325 LEU CD2 . 52228 1 1670 . 1 . 1 325 325 LEU N N 15 124.0249 0.0000 . 1 . . 238394 . . 325 LEU N . 52228 1 1671 . 1 . 1 326 326 TYR H H 1 8.4301 0.0000 . 1 . . 250299 . . 326 TYR H . 52228 1 1672 . 1 . 1 326 326 TYR C C 13 173.7781 0.0000 . 1 . . 449781 . . 326 TYR C . 52228 1 1673 . 1 . 1 326 326 TYR CA C 13 57.6604 0.0000 . 1 . . 449279 . . 326 TYR CA . 52228 1 1674 . 1 . 1 326 326 TYR CB C 13 38.2021 0.0000 . 1 . . 449793 . . 326 TYR CB . 52228 1 1675 . 1 . 1 326 326 TYR N N 15 126.3200 0.0000 . 1 . . 250301 . . 326 TYR N . 52228 1 1676 . 1 . 1 327 327 SER H H 1 6.2169 0.0000 . 1 . . 255942 . . 327 SER H . 52228 1 1677 . 1 . 1 327 327 SER C C 13 174.9895 0.0000 . 1 . . 850584 . . 327 SER C . 52228 1 1678 . 1 . 1 327 327 SER CA C 13 59.1284 0.0000 . 1 . . 449310 . . 327 SER CA . 52228 1 1679 . 1 . 1 327 327 SER CB C 13 62.5142 0.0000 . 1 . . 449302 . . 327 SER CB . 52228 1 1680 . 1 . 1 327 327 SER N N 15 119.6741 0.0000 . 1 . . 255944 . . 327 SER N . 52228 1 1681 . 1 . 1 328 328 GLY H H 1 8.5973 0.0000 . 1 . . 257595 . . 328 GLY H . 52228 1 1682 . 1 . 1 328 328 GLY N N 15 113.7265 0.0000 . 1 . . 257597 . . 328 GLY N . 52228 1 1683 . 1 . 1 329 329 VAL H H 1 7.8000 0.0000 . 1 . . . . . 329 VAL H . 52228 1 1684 . 1 . 1 329 329 VAL HG11 H 1 0.9240 0.0000 . 2 . . . . . 329 VAL HG11 . 52228 1 1685 . 1 . 1 329 329 VAL HG12 H 1 0.9240 0.0000 . 2 . . . . . 329 VAL HG11 . 52228 1 1686 . 1 . 1 329 329 VAL HG13 H 1 0.9240 0.0000 . 2 . . . . . 329 VAL HG11 . 52228 1 1687 . 1 . 1 329 329 VAL HG21 H 1 0.3290 0.0000 . 2 . . . . . 329 VAL HG21 . 52228 1 1688 . 1 . 1 329 329 VAL HG22 H 1 0.3290 0.0000 . 2 . . . . . 329 VAL HG21 . 52228 1 1689 . 1 . 1 329 329 VAL HG23 H 1 0.3290 0.0000 . 2 . . . . . 329 VAL HG21 . 52228 1 1690 . 1 . 1 329 329 VAL C C 13 174.4147 0.0000 . 1 . . 852980 . . 329 VAL C . 52228 1 1691 . 1 . 1 329 329 VAL CA C 13 60.1903 0.0000 . 1 . . 852985 . . 329 VAL CA . 52228 1 1692 . 1 . 1 329 329 VAL CB C 13 31.9654 0.0000 . 1 . . 852986 . . 329 VAL CB . 52228 1 1693 . 1 . 1 329 329 VAL CG1 C 13 24.0580 0.0000 . 2 . . . . . 329 VAL CG1 . 52228 1 1694 . 1 . 1 329 329 VAL CG2 C 13 21.6090 0.0000 . 2 . . . . . 329 VAL CG2 . 52228 1 1695 . 1 . 1 329 329 VAL N N 15 125.6500 0.0000 . 1 . . . . . 329 VAL N . 52228 1 1696 . 1 . 1 330 330 PRO C C 13 176.9520 0.0000 . 1 . . 274866 . . 330 PRO C . 52228 1 1697 . 1 . 1 330 330 PRO CA C 13 62.9003 0.0000 . 1 . . 274875 . . 330 PRO CA . 52228 1 1698 . 1 . 1 330 330 PRO CB C 13 32.9839 0.0000 . 1 . . 274876 . . 330 PRO CB . 52228 1 1699 . 1 . 1 331 331 SER H H 1 8.3577 0.0000 . 1 . . 239625 . . 331 SER H . 52228 1 1700 . 1 . 1 331 331 SER C C 13 174.2800 0.0000 . 1 . . 481567 . . 331 SER C . 52228 1 1701 . 1 . 1 331 331 SER CA C 13 60.0432 0.0000 . 1 . . 273828 . . 331 SER CA . 52228 1 1702 . 1 . 1 331 331 SER CB C 13 62.5150 0.0000 . 1 . . 481571 . . 331 SER CB . 52228 1 1703 . 1 . 1 331 331 SER N N 15 113.4192 0.0000 . 1 . . 239627 . . 331 SER N . 52228 1 1704 . 1 . 1 332 332 ARG H H 1 7.0563 0.0000 . 1 . . 239403 . . 332 ARG H . 52228 1 1705 . 1 . 1 332 332 ARG C C 13 175.5400 0.0000 . 1 . . 273819 . . 332 ARG C . 52228 1 1706 . 1 . 1 332 332 ARG CA C 13 56.3715 0.0000 . 1 . . 273822 . . 332 ARG CA . 52228 1 1707 . 1 . 1 332 332 ARG CB C 13 28.1703 0.0000 . 1 . . 273826 . . 332 ARG CB . 52228 1 1708 . 1 . 1 332 332 ARG N N 15 115.9692 0.0000 . 1 . . 239405 . . 332 ARG N . 52228 1 1709 . 1 . 1 333 333 PHE H H 1 7.7474 0.0000 . 1 . . 238815 . . 333 PHE H . 52228 1 1710 . 1 . 1 333 333 PHE C C 13 174.0148 0.0000 . 1 . . 271494 . . 333 PHE C . 52228 1 1711 . 1 . 1 333 333 PHE CA C 13 57.8204 0.0000 . 1 . . 838381 . . 333 PHE CA . 52228 1 1712 . 1 . 1 333 333 PHE CB C 13 39.4677 0.0000 . 1 . . 271496 . . 333 PHE CB . 52228 1 1713 . 1 . 1 333 333 PHE N N 15 121.1731 0.0000 . 1 . . 238817 . . 333 PHE N . 52228 1 1714 . 1 . 1 334 334 SER H H 1 8.6534 0.0000 . 1 . . 239718 . . 334 SER H . 52228 1 1715 . 1 . 1 334 334 SER C C 13 172.4370 0.0000 . 1 . . 275587 . . 334 SER C . 52228 1 1716 . 1 . 1 334 334 SER CA C 13 57.0296 0.0000 . 1 . . 275589 . . 334 SER CA . 52228 1 1717 . 1 . 1 334 334 SER CB C 13 65.1049 0.0000 . 1 . . 275591 . . 334 SER CB . 52228 1 1718 . 1 . 1 334 334 SER N N 15 111.7647 0.0000 . 1 . . 239720 . . 334 SER N . 52228 1 1719 . 1 . 1 335 335 GLY H H 1 8.7533 0.0000 . 1 . . 239868 . . 335 GLY H . 52228 1 1720 . 1 . 1 335 335 GLY C C 13 172.8719 0.0000 . 1 . . 432931 . . 335 GLY C . 52228 1 1721 . 1 . 1 335 335 GLY CA C 13 43.7438 0.0000 . 1 . . 276488 . . 335 GLY CA . 52228 1 1722 . 1 . 1 335 335 GLY N N 15 109.1293 0.0000 . 1 . . 239870 . . 335 GLY N . 52228 1 1723 . 1 . 1 336 336 SER H H 1 8.6410 0.0000 . 1 . . 257499 . . 336 SER H . 52228 1 1724 . 1 . 1 336 336 SER C C 13 172.7495 0.0000 . 1 . . 490377 . . 336 SER C . 52228 1 1725 . 1 . 1 336 336 SER CA C 13 56.4853 0.0000 . 1 . . 490385 . . 336 SER CA . 52228 1 1726 . 1 . 1 336 336 SER CB C 13 65.5126 0.0000 . 1 . . 490381 . . 336 SER CB . 52228 1 1727 . 1 . 1 336 336 SER N N 15 113.8887 0.0000 . 1 . . 257501 . . 336 SER N . 52228 1 1728 . 1 . 1 337 337 ARG H H 1 8.4893 0.0000 . 1 . . 468157 . . 337 ARG H . 52228 1 1729 . 1 . 1 337 337 ARG C C 13 175.0703 0.0000 . 1 . . 490374 . . 337 ARG C . 52228 1 1730 . 1 . 1 337 337 ARG CA C 13 54.3884 0.0000 . 1 . . 270990 . . 337 ARG CA . 52228 1 1731 . 1 . 1 337 337 ARG CB C 13 32.5367 0.0000 . 1 . . 356294 . . 337 ARG CB . 52228 1 1732 . 1 . 1 337 337 ARG N N 15 122.1928 0.0000 . 1 . . 468159 . . 337 ARG N . 52228 1 1733 . 1 . 1 338 338 SER H H 1 8.5441 0.0000 . 1 . . 238890 . . 338 SER H . 52228 1 1734 . 1 . 1 338 338 SER C C 13 174.6730 0.0000 . 1 . . 490340 . . 338 SER C . 52228 1 1735 . 1 . 1 338 338 SER CA C 13 56.3217 0.0000 . 1 . . 490352 . . 338 SER CA . 52228 1 1736 . 1 . 1 338 338 SER CB C 13 62.5739 0.0000 . 1 . . 490344 . . 338 SER CB . 52228 1 1737 . 1 . 1 338 338 SER N N 15 120.6200 0.0000 . 1 . . 238892 . . 338 SER N . 52228 1 1738 . 1 . 1 339 339 GLY H H 1 8.9736 0.0000 . 1 . . 248325 . . 339 GLY H . 52228 1 1739 . 1 . 1 339 339 GLY C C 13 174.8763 0.0000 . 1 . . 273236 . . 339 GLY C . 52228 1 1740 . 1 . 1 339 339 GLY CA C 13 46.8117 0.0000 . 1 . . 273240 . . 339 GLY CA . 52228 1 1741 . 1 . 1 339 339 GLY N N 15 117.4870 0.0000 . 1 . . 248327 . . 339 GLY N . 52228 1 1742 . 1 . 1 340 340 THR H H 1 8.4171 0.0000 . 1 . . 239202 . . 340 THR H . 52228 1 1743 . 1 . 1 340 340 THR C C 13 172.6832 0.0000 . 1 . . 853937 . . 340 THR C . 52228 1 1744 . 1 . 1 340 340 THR CA C 13 61.2303 0.0000 . 1 . . 853945 . . 340 THR CA . 52228 1 1745 . 1 . 1 340 340 THR N N 15 117.8993 0.0000 . 1 . . 239204 . . 340 THR N . 52228 1 1746 . 1 . 1 341 341 ASP H H 1 7.9866 0.0000 . 1 . . 255477 . . 341 ASP H . 52228 1 1747 . 1 . 1 341 341 ASP C C 13 174.7372 0.0000 . 1 . . 853949 . . 341 ASP C . 52228 1 1748 . 1 . 1 341 341 ASP CA C 13 53.8025 0.0000 . 1 . . 327996 . . 341 ASP CA . 52228 1 1749 . 1 . 1 341 341 ASP CB C 13 41.3796 0.0000 . 1 . . 853953 . . 341 ASP CB . 52228 1 1750 . 1 . 1 341 341 ASP N N 15 120.9637 0.0000 . 1 . . 255479 . . 341 ASP N . 52228 1 1751 . 1 . 1 342 342 PHE H H 1 9.4432 0.0000 . 1 . . 240942 . . 342 PHE H . 52228 1 1752 . 1 . 1 342 342 PHE C C 13 175.5321 0.0000 . 1 . . 319409 . . 342 PHE C . 52228 1 1753 . 1 . 1 342 342 PHE CA C 13 56.9943 0.0000 . 1 . . 319410 . . 342 PHE CA . 52228 1 1754 . 1 . 1 342 342 PHE CB C 13 39.7380 0.0000 . 1 . . 319412 . . 342 PHE CB . 52228 1 1755 . 1 . 1 342 342 PHE N N 15 123.3757 0.0000 . 1 . . 240944 . . 342 PHE N . 52228 1 1756 . 1 . 1 343 343 THR H H 1 8.9468 0.0000 . 1 . . 239337 . . 343 THR H . 52228 1 1757 . 1 . 1 343 343 THR C C 13 172.7611 0.0000 . 1 . . 853965 . . 343 THR C . 52228 1 1758 . 1 . 1 343 343 THR CA C 13 60.2072 0.0000 . 1 . . 853975 . . 343 THR CA . 52228 1 1759 . 1 . 1 343 343 THR CB C 13 71.4089 0.0000 . 1 . . 853969 . . 343 THR CB . 52228 1 1760 . 1 . 1 343 343 THR N N 15 116.4342 0.0000 . 1 . . 239339 . . 343 THR N . 52228 1 1761 . 1 . 1 344 344 LEU H H 1 8.6253 0.0000 . 1 . . 253014 . . 344 LEU H . 52228 1 1762 . 1 . 1 344 344 LEU HD11 H 1 0.3340 0.0000 . 2 . . 454992 . . 344 LEU HD11 . 52228 1 1763 . 1 . 1 344 344 LEU HD12 H 1 0.3340 0.0000 . 2 . . 454992 . . 344 LEU HD11 . 52228 1 1764 . 1 . 1 344 344 LEU HD13 H 1 0.3340 0.0000 . 2 . . 454992 . . 344 LEU HD11 . 52228 1 1765 . 1 . 1 344 344 LEU HD21 H 1 0.1950 0.0000 . 2 . . 455067 . . 344 LEU HD21 . 52228 1 1766 . 1 . 1 344 344 LEU HD22 H 1 0.1950 0.0000 . 2 . . 455067 . . 344 LEU HD21 . 52228 1 1767 . 1 . 1 344 344 LEU HD23 H 1 0.1950 0.0000 . 2 . . 455067 . . 344 LEU HD21 . 52228 1 1768 . 1 . 1 344 344 LEU C C 13 174.5091 0.0000 . 1 . . 759663 . . 344 LEU C . 52228 1 1769 . 1 . 1 344 344 LEU CA C 13 52.9124 0.0000 . 1 . . 268097 . . 344 LEU CA . 52228 1 1770 . 1 . 1 344 344 LEU CB C 13 40.4415 0.0000 . 1 . . 759673 . . 344 LEU CB . 52228 1 1771 . 1 . 1 344 344 LEU CD1 C 13 23.9490 0.0000 . 2 . . 453417 . . 344 LEU CD1 . 52228 1 1772 . 1 . 1 344 344 LEU CD2 C 13 26.2570 0.0000 . 2 . . 453240 . . 344 LEU CD2 . 52228 1 1773 . 1 . 1 344 344 LEU N N 15 128.7524 0.0000 . 1 . . 253016 . . 344 LEU N . 52228 1 1774 . 1 . 1 345 345 THR H H 1 8.9200 0.0000 . 1 . . 254529 . . 345 THR H . 52228 1 1775 . 1 . 1 345 345 THR C C 13 173.3219 0.0000 . 1 . . 270276 . . 345 THR C . 52228 1 1776 . 1 . 1 345 345 THR CA C 13 60.4562 0.0000 . 1 . . 760812 . . 345 THR CA . 52228 1 1777 . 1 . 1 345 345 THR CB C 13 70.1150 0.0000 . 1 . . 270272 . . 345 THR CB . 52228 1 1778 . 1 . 1 345 345 THR N N 15 123.0468 0.0000 . 1 . . 254531 . . 345 THR N . 52228 1 1779 . 1 . 1 346 346 ILE H H 1 8.6695 0.0000 . 1 . . 253626 . . 346 ILE H . 52228 1 1780 . 1 . 1 346 346 ILE HD11 H 1 0.1900 0.0000 . 1 . . 455070 . . 346 ILE HD11 . 52228 1 1781 . 1 . 1 346 346 ILE HD12 H 1 0.1900 0.0000 . 1 . . 455070 . . 346 ILE HD11 . 52228 1 1782 . 1 . 1 346 346 ILE HD13 H 1 0.1900 0.0000 . 1 . . 455070 . . 346 ILE HD11 . 52228 1 1783 . 1 . 1 346 346 ILE C C 13 176.3063 0.0000 . 1 . . 356774 . . 346 ILE C . 52228 1 1784 . 1 . 1 346 346 ILE CA C 13 59.6597 0.0000 . 1 . . 356780 . . 346 ILE CA . 52228 1 1785 . 1 . 1 346 346 ILE CB C 13 37.5002 0.0000 . 1 . . 356784 . . 346 ILE CB . 52228 1 1786 . 1 . 1 346 346 ILE CD1 C 13 12.5760 0.0000 . 1 . . 456709 . . 346 ILE CD1 . 52228 1 1787 . 1 . 1 346 346 ILE N N 15 125.8683 0.0000 . 1 . . 253628 . . 346 ILE N . 52228 1 1788 . 1 . 1 347 347 SER H H 1 8.8568 0.0000 . 1 . . 247710 . . 347 SER H . 52228 1 1789 . 1 . 1 347 347 SER C C 13 173.5683 0.0000 . 1 . . 356789 . . 347 SER C . 52228 1 1790 . 1 . 1 347 347 SER CA C 13 60.0724 0.0000 . 1 . . 356788 . . 347 SER CA . 52228 1 1791 . 1 . 1 347 347 SER CB C 13 62.3281 0.0000 . 1 . . 356785 . . 347 SER CB . 52228 1 1792 . 1 . 1 347 347 SER N N 15 121.0022 0.0000 . 1 . . 247712 . . 347 SER N . 52228 1 1793 . 1 . 1 348 348 SER H H 1 6.3301 0.0000 . 1 . . 239682 . . 348 SER H . 52228 1 1794 . 1 . 1 348 348 SER C C 13 173.7714 0.0000 . 1 . . 550946 . . 348 SER C . 52228 1 1795 . 1 . 1 348 348 SER CA C 13 56.3263 0.0000 . 1 . . 550952 . . 348 SER CA . 52228 1 1796 . 1 . 1 348 348 SER CB C 13 61.8250 0.0000 . 1 . . 550950 . . 348 SER CB . 52228 1 1797 . 1 . 1 348 348 SER N N 15 113.1742 0.0000 . 1 . . 239684 . . 348 SER N . 52228 1 1798 . 1 . 1 349 349 LEU H H 1 8.6953 0.0000 . 1 . . 253617 . . 349 LEU H . 52228 1 1799 . 1 . 1 349 349 LEU HD11 H 1 0.4890 0.0000 . 2 . . . . . 349 LEU HD11 . 52228 1 1800 . 1 . 1 349 349 LEU HD12 H 1 0.4890 0.0000 . 2 . . . . . 349 LEU HD11 . 52228 1 1801 . 1 . 1 349 349 LEU HD13 H 1 0.4890 0.0000 . 2 . . . . . 349 LEU HD11 . 52228 1 1802 . 1 . 1 349 349 LEU HD21 H 1 0.1860 0.0000 . 2 . . . . . 349 LEU HD21 . 52228 1 1803 . 1 . 1 349 349 LEU HD22 H 1 0.1860 0.0000 . 2 . . . . . 349 LEU HD21 . 52228 1 1804 . 1 . 1 349 349 LEU HD23 H 1 0.1860 0.0000 . 2 . . . . . 349 LEU HD21 . 52228 1 1805 . 1 . 1 349 349 LEU C C 13 176.6966 0.0000 . 1 . . 550944 . . 349 LEU C . 52228 1 1806 . 1 . 1 349 349 LEU CA C 13 56.6338 0.0000 . 1 . . 534824 . . 349 LEU CA . 52228 1 1807 . 1 . 1 349 349 LEU CB C 13 41.9758 0.0000 . 1 . . 534823 . . 349 LEU CB . 52228 1 1808 . 1 . 1 349 349 LEU CD1 C 13 26.8210 0.0000 . 2 . . . . . 349 LEU CD1 . 52228 1 1809 . 1 . 1 349 349 LEU CD2 C 13 27.0270 0.0000 . 2 . . . . . 349 LEU CD2 . 52228 1 1810 . 1 . 1 349 349 LEU N N 15 126.3888 0.0000 . 1 . . 253619 . . 349 LEU N . 52228 1 1811 . 1 . 1 350 350 GLN H H 1 8.4000 0.0000 . 1 . . . . . 350 GLN H . 52228 1 1812 . 1 . 1 350 350 GLN N N 15 110.3600 0.0000 . 1 . . . . . 350 GLN N . 52228 1 1813 . 1 . 1 351 351 PRO C C 13 178.3119 0.0000 . 1 . . 340977 . . 351 PRO C . 52228 1 1814 . 1 . 1 351 351 PRO CA C 13 65.8896 0.0000 . 1 . . 340968 . . 351 PRO CA . 52228 1 1815 . 1 . 1 351 351 PRO CB C 13 31.0471 0.0000 . 1 . . 340970 . . 351 PRO CB . 52228 1 1816 . 1 . 1 352 352 GLU H H 1 9.1723 0.0000 . 1 . . 257670 . . 352 GLU H . 52228 1 1817 . 1 . 1 352 352 GLU C C 13 176.5753 0.0000 . 1 . . 439620 . . 352 GLU C . 52228 1 1818 . 1 . 1 352 352 GLU CA C 13 57.1264 0.0000 . 1 . . 439626 . . 352 GLU CA . 52228 1 1819 . 1 . 1 352 352 GLU CB C 13 27.9807 0.0000 . 1 . . 439630 . . 352 GLU CB . 52228 1 1820 . 1 . 1 352 352 GLU N N 15 113.6853 0.0000 . 1 . . 257672 . . 352 GLU N . 52228 1 1821 . 1 . 1 353 353 ASP H H 1 8.3840 0.0000 . 1 . . 255999 . . 353 ASP H . 52228 1 1822 . 1 . 1 353 353 ASP C C 13 178.0177 0.0000 . 1 . . 449388 . . 353 ASP C . 52228 1 1823 . 1 . 1 353 353 ASP CA C 13 54.2805 0.0000 . 1 . . 449394 . . 353 ASP CA . 52228 1 1824 . 1 . 1 353 353 ASP CB C 13 40.9657 0.0000 . 1 . . 449397 . . 353 ASP CB . 52228 1 1825 . 1 . 1 353 353 ASP N N 15 119.3367 0.0000 . 1 . . 256001 . . 353 ASP N . 52228 1 1826 . 1 . 1 354 354 PHE H H 1 7.0974 0.0000 . 1 . . 255429 . . 354 PHE H . 52228 1 1827 . 1 . 1 354 354 PHE C C 13 174.2824 0.0000 . 1 . . 449386 . . 354 PHE C . 52228 1 1828 . 1 . 1 354 354 PHE CA C 13 61.1222 0.0000 . 1 . . 449409 . . 354 PHE CA . 52228 1 1829 . 1 . 1 354 354 PHE CB C 13 36.4645 0.0000 . 1 . . 449406 . . 354 PHE CB . 52228 1 1830 . 1 . 1 354 354 PHE N N 15 121.1563 0.0000 . 1 . . 255431 . . 354 PHE N . 52228 1 1831 . 1 . 1 355 355 ALA H H 1 7.7866 0.0000 . 1 . . 253242 . . 355 ALA H . 52228 1 1832 . 1 . 1 355 355 ALA C C 13 174.7424 0.0000 . 1 . . 521614 . . 355 ALA C . 52228 1 1833 . 1 . 1 355 355 ALA CA C 13 51.1229 0.0000 . 1 . . 467542 . . 355 ALA CA . 52228 1 1834 . 1 . 1 355 355 ALA CB C 13 19.8297 0.0000 . 1 . . 521626 . . 355 ALA CB . 52228 1 1835 . 1 . 1 355 355 ALA N N 15 127.2577 0.0000 . 1 . . 253244 . . 355 ALA N . 52228 1 1836 . 1 . 1 356 356 THR H H 1 7.8172 0.0000 . 1 . . 521658 . . 356 THR H . 52228 1 1837 . 1 . 1 356 356 THR C C 13 172.8616 0.0000 . 1 . . 521701 . . 356 THR C . 52228 1 1838 . 1 . 1 356 356 THR CA C 13 61.9268 0.0000 . 1 . . 521698 . . 356 THR CA . 52228 1 1839 . 1 . 1 356 356 THR CB C 13 68.7788 0.0000 . 1 . . 521692 . . 356 THR CB . 52228 1 1840 . 1 . 1 356 356 THR N N 15 114.6893 0.0000 . 1 . . 521660 . . 356 THR N . 52228 1 1841 . 1 . 1 357 357 TYR H H 1 8.7473 0.0000 . 1 . . 238443 . . 357 TYR H . 52228 1 1842 . 1 . 1 357 357 TYR C C 13 176.5448 0.0000 . 1 . . 474231 . . 357 TYR C . 52228 1 1843 . 1 . 1 357 357 TYR CA C 13 56.3050 0.0000 . 1 . . 474235 . . 357 TYR CA . 52228 1 1844 . 1 . 1 357 357 TYR CB C 13 41.9530 0.0000 . 1 . . 474241 . . 357 TYR CB . 52228 1 1845 . 1 . 1 357 357 TYR N N 15 123.7423 0.0000 . 1 . . 238445 . . 357 TYR N . 52228 1 1846 . 1 . 1 358 358 TYR H H 1 9.6278 0.0000 . 1 . . 241449 . . 358 TYR H . 52228 1 1847 . 1 . 1 358 358 TYR C C 13 175.3908 0.0000 . 1 . . 548504 . . 358 TYR C . 52228 1 1848 . 1 . 1 358 358 TYR CA C 13 57.6692 0.0000 . 1 . . 271809 . . 358 TYR CA . 52228 1 1849 . 1 . 1 358 358 TYR CB C 13 43.0925 0.0000 . 1 . . 474253 . . 358 TYR CB . 52228 1 1850 . 1 . 1 358 358 TYR N N 15 120.5599 0.0000 . 1 . . 241451 . . 358 TYR N . 52228 1 1851 . 1 . 1 359 359 CYS H H 1 7.6414 0.0000 . 1 . . 239385 . . 359 CYS H . 52228 1 1852 . 1 . 1 359 359 CYS C C 13 173.1839 0.0000 . 1 . . 438454 . . 359 CYS C . 52228 1 1853 . 1 . 1 359 359 CYS CA C 13 52.8340 0.0000 . 1 . . 438484 . . 359 CYS CA . 52228 1 1854 . 1 . 1 359 359 CYS CB C 13 44.0604 0.0000 . 1 . . 438292 . . 359 CYS CB . 52228 1 1855 . 1 . 1 359 359 CYS N N 15 116.2315 0.0000 . 1 . . 239387 . . 359 CYS N . 52228 1 1856 . 1 . 1 360 360 GLN H H 1 8.7478 0.0000 . 1 . . 238746 . . 360 GLN H . 52228 1 1857 . 1 . 1 360 360 GLN C C 13 174.7670 0.0000 . 1 . . 496259 . . 360 GLN C . 52228 1 1858 . 1 . 1 360 360 GLN CA C 13 53.6737 0.0000 . 1 . . 496261 . . 360 GLN CA . 52228 1 1859 . 1 . 1 360 360 GLN CB C 13 33.8425 0.0000 . 1 . . 496267 . . 360 GLN CB . 52228 1 1860 . 1 . 1 360 360 GLN N N 15 121.9388 0.0000 . 1 . . 238748 . . 360 GLN N . 52228 1 1861 . 1 . 1 361 361 GLN H H 1 8.7040 0.0000 . 1 . . 240984 . . 361 GLN H . 52228 1 1862 . 1 . 1 361 361 GLN C C 13 174.7752 0.0000 . 1 . . 761109 . . 361 GLN C . 52228 1 1863 . 1 . 1 361 361 GLN CA C 13 52.3825 0.0000 . 1 . . 496203 . . 361 GLN CA . 52228 1 1864 . 1 . 1 361 361 GLN CB C 13 26.8850 0.0000 . 1 . . 496226 . . 361 GLN CB . 52228 1 1865 . 1 . 1 361 361 GLN N N 15 122.8333 0.0000 . 1 . . 240986 . . 361 GLN N . 52228 1 1866 . 1 . 1 362 362 HIS C C 13 174.6080 0.0000 . 1 . . 547823 . . 362 HIS C . 52228 1 1867 . 1 . 1 362 362 HIS CA C 13 53.2813 0.0000 . 1 . . 269393 . . 362 HIS CA . 52228 1 1868 . 1 . 1 362 362 HIS CB C 13 27.6549 0.0000 . 1 . . 359462 . . 362 HIS CB . 52228 1 1869 . 1 . 1 363 363 TYR H H 1 8.7945 0.0000 . 1 . . 250389 . . 363 TYR H . 52228 1 1870 . 1 . 1 363 363 TYR C C 13 176.0773 0.0000 . 1 . . 495986 . . 363 TYR C . 52228 1 1871 . 1 . 1 363 363 TYR CA C 13 59.3885 0.0000 . 1 . . 491957 . . 363 TYR CA . 52228 1 1872 . 1 . 1 363 363 TYR CB C 13 39.1162 0.0000 . 1 . . 495994 . . 363 TYR CB . 52228 1 1873 . 1 . 1 363 363 TYR N N 15 125.1254 0.0000 . 1 . . 250391 . . 363 TYR N . 52228 1 1874 . 1 . 1 364 364 THR H H 1 7.8719 0.0000 . 1 . . 242952 . . 364 THR H . 52228 1 1875 . 1 . 1 364 364 THR C C 13 172.8783 0.0000 . 1 . . 495996 . . 364 THR C . 52228 1 1876 . 1 . 1 364 364 THR CA C 13 58.2677 0.0000 . 1 . . 475121 . . 364 THR CA . 52228 1 1877 . 1 . 1 364 364 THR CB C 13 69.9992 0.0000 . 1 . . 495998 . . 364 THR CB . 52228 1 1878 . 1 . 1 364 364 THR N N 15 109.3131 0.0000 . 1 . . 242954 . . 364 THR N . 52228 1 1879 . 1 . 1 365 365 THR H H 1 7.7824 0.0000 . 1 . . 239424 . . 365 THR H . 52228 1 1880 . 1 . 1 365 365 THR C C 13 172.3300 0.0000 . 1 . . 556094 . . 365 THR C . 52228 1 1881 . 1 . 1 365 365 THR CA C 13 59.3835 0.0000 . 1 . . 540163 . . 365 THR CA . 52228 1 1882 . 1 . 1 365 365 THR CB C 13 69.8164 0.0000 . 1 . . 478346 . . 365 THR CB . 52228 1 1883 . 1 . 1 365 365 THR N N 15 116.0194 0.0000 . 1 . . 239426 . . 365 THR N . 52228 1 1884 . 1 . 1 367 367 PRO C C 13 176.0541 0.0000 . 1 . . 449740 . . 367 PRO C . 52228 1 1885 . 1 . 1 367 367 PRO CA C 13 62.5846 0.0000 . 1 . . 449744 . . 367 PRO CA . 52228 1 1886 . 1 . 1 367 367 PRO CB C 13 30.6061 0.0000 . 1 . . 449748 . . 367 PRO CB . 52228 1 1887 . 1 . 1 368 368 THR H H 1 7.4002 0.0000 . 1 . . 258270 . . 368 THR H . 52228 1 1888 . 1 . 1 368 368 THR C C 13 172.8662 0.0000 . 1 . . 484490 . . 368 THR C . 52228 1 1889 . 1 . 1 368 368 THR CA C 13 59.3929 0.0000 . 1 . . 439326 . . 368 THR CA . 52228 1 1890 . 1 . 1 368 368 THR CB C 13 71.8253 0.0000 . 1 . . 439333 . . 368 THR CB . 52228 1 1891 . 1 . 1 368 368 THR N N 15 110.5603 0.0000 . 1 . . 258272 . . 368 THR N . 52228 1 1892 . 1 . 1 369 369 PHE H H 1 8.8976 0.0000 . 1 . . 439276 . . 369 PHE H . 52228 1 1893 . 1 . 1 369 369 PHE C C 13 178.3730 0.0000 . 1 . . 439325 . . 369 PHE C . 52228 1 1894 . 1 . 1 369 369 PHE CA C 13 56.3113 0.0000 . 1 . . 439331 . . 369 PHE CA . 52228 1 1895 . 1 . 1 369 369 PHE CB C 13 42.5010 0.0000 . 1 . . 439332 . . 369 PHE CB . 52228 1 1896 . 1 . 1 369 369 PHE N N 15 118.4004 0.0000 . 1 . . 439278 . . 369 PHE N . 52228 1 1897 . 1 . 1 370 370 GLY H H 1 8.9391 0.0000 . 1 . . 258849 . . 370 GLY H . 52228 1 1898 . 1 . 1 370 370 GLY C C 13 174.1166 0.0000 . 1 . . 303802 . . 370 GLY C . 52228 1 1899 . 1 . 1 370 370 GLY CA C 13 44.5198 0.0000 . 1 . . 303804 . . 370 GLY CA . 52228 1 1900 . 1 . 1 370 370 GLY N N 15 108.3888 0.0000 . 1 . . 258851 . . 370 GLY N . 52228 1 1901 . 1 . 1 371 371 GLN H H 1 8.7588 0.0000 . 1 . . 239352 . . 371 GLN H . 52228 1 1902 . 1 . 1 371 371 GLN C C 13 176.4296 0.0000 . 1 . . 556566 . . 371 GLN C . 52228 1 1903 . 1 . 1 371 371 GLN CA C 13 57.6156 0.0000 . 1 . . 359688 . . 371 GLN CA . 52228 1 1904 . 1 . 1 371 371 GLN N N 15 116.3148 0.0000 . 1 . . 239354 . . 371 GLN N . 52228 1 1905 . 1 . 1 372 372 GLY H H 1 7.0301 0.0000 . 1 . . 239967 . . 372 GLY H . 52228 1 1906 . 1 . 1 372 372 GLY C C 13 172.6451 0.0000 . 1 . . 853470 . . 372 GLY C . 52228 1 1907 . 1 . 1 372 372 GLY CA C 13 44.9034 0.0000 . 1 . . 556001 . . 372 GLY CA . 52228 1 1908 . 1 . 1 372 372 GLY N N 15 106.5693 0.0000 . 1 . . 239969 . . 372 GLY N . 52228 1 1909 . 1 . 1 373 373 THR H H 1 8.6231 0.0000 . 1 . . 839937 . . 373 THR H . 52228 1 1910 . 1 . 1 373 373 THR C C 13 175.7262 0.0000 . 1 . . 840430 . . 373 THR C . 52228 1 1911 . 1 . 1 373 373 THR CA C 13 59.8557 0.0000 . 1 . . 840431 . . 373 THR CA . 52228 1 1912 . 1 . 1 373 373 THR CB C 13 72.2484 0.0000 . 1 . . 267939 . . 373 THR CB . 52228 1 1913 . 1 . 1 373 373 THR N N 15 115.3462 0.0000 . 1 . . 839939 . . 373 THR N . 52228 1 1914 . 1 . 1 374 374 LYS H H 1 8.3008 0.0000 . 1 . . 252879 . . 374 LYS H . 52228 1 1915 . 1 . 1 374 374 LYS C C 13 174.5498 0.0000 . 1 . . 853428 . . 374 LYS C . 52228 1 1916 . 1 . 1 374 374 LYS CA C 13 56.0398 0.0000 . 1 . . 853436 . . 374 LYS CA . 52228 1 1917 . 1 . 1 374 374 LYS CB C 13 33.0814 0.0000 . 1 . . 853438 . . 374 LYS CB . 52228 1 1918 . 1 . 1 374 374 LYS N N 15 129.9567 0.0000 . 1 . . 252881 . . 374 LYS N . 52228 1 1919 . 1 . 1 375 375 VAL H H 1 8.6885 0.0000 . 1 . . 253092 . . 375 VAL H . 52228 1 1920 . 1 . 1 375 375 VAL HG11 H 1 0.9100 0.0000 . 2 . . 762804 . . 375 VAL HG11 . 52228 1 1921 . 1 . 1 375 375 VAL HG12 H 1 0.9100 0.0000 . 2 . . 762804 . . 375 VAL HG11 . 52228 1 1922 . 1 . 1 375 375 VAL HG13 H 1 0.9100 0.0000 . 2 . . 762804 . . 375 VAL HG11 . 52228 1 1923 . 1 . 1 375 375 VAL HG21 H 1 0.8940 0.0000 . 2 . . 762804 . . 375 VAL HG21 . 52228 1 1924 . 1 . 1 375 375 VAL HG22 H 1 0.8940 0.0000 . 2 . . 762804 . . 375 VAL HG21 . 52228 1 1925 . 1 . 1 375 375 VAL HG23 H 1 0.8940 0.0000 . 2 . . 762804 . . 375 VAL HG21 . 52228 1 1926 . 1 . 1 375 375 VAL C C 13 174.8459 0.0000 . 1 . . 853458 . . 375 VAL C . 52228 1 1927 . 1 . 1 375 375 VAL CA C 13 61.8836 0.0000 . 1 . . 853445 . . 375 VAL CA . 52228 1 1928 . 1 . 1 375 375 VAL CB C 13 31.9238 0.0000 . 1 . . 853468 . . 375 VAL CB . 52228 1 1929 . 1 . 1 375 375 VAL CG1 C 13 21.5690 0.0000 . 2 . . 453612 . . 375 VAL CG1 . 52228 1 1930 . 1 . 1 375 375 VAL CG2 C 13 21.3050 0.0000 . 2 . . 453612 . . 375 VAL CG2 . 52228 1 1931 . 1 . 1 375 375 VAL N N 15 128.4725 0.0000 . 1 . . 253094 . . 375 VAL N . 52228 1 1932 . 1 . 1 376 376 GLU H H 1 9.2295 0.0000 . 1 . . 237972 . . 376 GLU H . 52228 1 1933 . 1 . 1 376 376 GLU C C 13 173.8592 0.0000 . 1 . . 588568 . . 376 GLU C . 52228 1 1934 . 1 . 1 376 376 GLU CA C 13 54.2926 0.0000 . 1 . . 588574 . . 376 GLU CA . 52228 1 1935 . 1 . 1 376 376 GLU N N 15 128.1417 0.0000 . 1 . . 237974 . . 376 GLU N . 52228 1 1936 . 1 . 1 377 377 ILE H H 1 8.6679 0.0000 . 1 . . 238674 . . 377 ILE H . 52228 1 1937 . 1 . 1 377 377 ILE HD11 H 1 0.4030 0.0000 . 1 . . 454974 . . 377 ILE HD11 . 52228 1 1938 . 1 . 1 377 377 ILE HD12 H 1 0.4030 0.0000 . 1 . . 454974 . . 377 ILE HD11 . 52228 1 1939 . 1 . 1 377 377 ILE HD13 H 1 0.4030 0.0000 . 1 . . 454974 . . 377 ILE HD11 . 52228 1 1940 . 1 . 1 377 377 ILE C C 13 176.4859 0.0000 . 1 . . 415923 . . 377 ILE C . 52228 1 1941 . 1 . 1 377 377 ILE CA C 13 61.0330 0.0000 . 1 . . 325988 . . 377 ILE CA . 52228 1 1942 . 1 . 1 377 377 ILE CB C 13 37.5962 0.0000 . 1 . . 415980 . . 377 ILE CB . 52228 1 1943 . 1 . 1 377 377 ILE CD1 C 13 13.1990 0.0000 . 1 . . 454152 . . 377 ILE CD1 . 52228 1 1944 . 1 . 1 377 377 ILE N N 15 122.3293 0.0000 . 1 . . 238676 . . 377 ILE N . 52228 1 1945 . 1 . 1 378 378 LYS H H 1 8.0847 0.0000 . 1 . . 250203 . . 378 LYS H . 52228 1 1946 . 1 . 1 378 378 LYS C C 13 174.7422 0.0000 . 1 . . 268430 . . 378 LYS C . 52228 1 1947 . 1 . 1 378 378 LYS CA C 13 55.7709 0.0000 . 1 . . 268429 . . 378 LYS CA . 52228 1 1948 . 1 . 1 378 378 LYS CB C 13 32.4832 0.0000 . 1 . . 268432 . . 378 LYS CB . 52228 1 1949 . 1 . 1 378 378 LYS N N 15 127.1718 0.0000 . 1 . . 250205 . . 378 LYS N . 52228 1 1950 . 1 . 1 379 379 ARG H H 1 6.2390 0.0000 . 1 . . 238983 . . 379 ARG H . 52228 1 1951 . 1 . 1 379 379 ARG C C 13 174.0029 0.0000 . 1 . . 272360 . . 379 ARG C . 52228 1 1952 . 1 . 1 379 379 ARG CA C 13 54.3997 0.0000 . 1 . . 272363 . . 379 ARG CA . 52228 1 1953 . 1 . 1 379 379 ARG CB C 13 28.9272 0.0000 . 1 . . 272364 . . 379 ARG CB . 52228 1 1954 . 1 . 1 379 379 ARG N N 15 119.6316 0.0000 . 1 . . 238985 . . 379 ARG N . 52228 1 1955 . 1 . 1 380 380 THR H H 1 7.6178 0.0000 . 1 . . 258699 . . 380 THR H . 52228 1 1956 . 1 . 1 380 380 THR C C 13 175.6144 0.0000 . 1 . . 354530 . . 380 THR C . 52228 1 1957 . 1 . 1 380 380 THR CA C 13 61.5443 0.0000 . 1 . . 354539 . . 380 THR CA . 52228 1 1958 . 1 . 1 380 380 THR CB C 13 69.8131 0.0000 . 1 . . 354535 . . 380 THR CB . 52228 1 1959 . 1 . 1 380 380 THR N N 15 108.6566 0.0000 . 1 . . 258701 . . 380 THR N . 52228 1 1960 . 1 . 1 381 381 VAL H H 1 8.3814 0.0000 . 1 . . 355952 . . 381 VAL H . 52228 1 1961 . 1 . 1 381 381 VAL HG11 H 1 1.0900 0.0000 . 2 . . 454434 . . 381 VAL HG11 . 52228 1 1962 . 1 . 1 381 381 VAL HG12 H 1 1.0900 0.0000 . 2 . . 454434 . . 381 VAL HG11 . 52228 1 1963 . 1 . 1 381 381 VAL HG13 H 1 1.0900 0.0000 . 2 . . 454434 . . 381 VAL HG11 . 52228 1 1964 . 1 . 1 381 381 VAL HG21 H 1 1.2120 0.0000 . 2 . . 454392 . . 381 VAL HG21 . 52228 1 1965 . 1 . 1 381 381 VAL HG22 H 1 1.2120 0.0000 . 2 . . 454392 . . 381 VAL HG21 . 52228 1 1966 . 1 . 1 381 381 VAL HG23 H 1 1.2120 0.0000 . 2 . . 454392 . . 381 VAL HG21 . 52228 1 1967 . 1 . 1 381 381 VAL C C 13 175.3214 0.0000 . 1 . . 355992 . . 381 VAL C . 52228 1 1968 . 1 . 1 381 381 VAL CA C 13 63.7790 0.0000 . 1 . . 355986 . . 381 VAL CA . 52228 1 1969 . 1 . 1 381 381 VAL CB C 13 31.2102 0.0000 . 1 . . 355983 . . 381 VAL CB . 52228 1 1970 . 1 . 1 381 381 VAL CG1 C 13 20.9500 0.0000 . 2 . . 453726 . . 381 VAL CG1 . 52228 1 1971 . 1 . 1 381 381 VAL CG2 C 13 22.5360 0.0000 . 2 . . 453546 . . 381 VAL CG2 . 52228 1 1972 . 1 . 1 381 381 VAL N N 15 122.2936 0.0000 . 1 . . 355954 . . 381 VAL N . 52228 1 1973 . 1 . 1 382 382 ALA H H 1 9.6333 0.0000 . 1 . . 237858 . . 382 ALA H . 52228 1 1974 . 1 . 1 382 382 ALA C C 13 175.7680 0.0000 . 1 . . 556686 . . 382 ALA C . 52228 1 1975 . 1 . 1 382 382 ALA CA C 13 50.7249 0.0000 . 1 . . 556694 . . 382 ALA CA . 52228 1 1976 . 1 . 1 382 382 ALA CB C 13 20.0366 0.0000 . 1 . . 556696 . . 382 ALA CB . 52228 1 1977 . 1 . 1 382 382 ALA N N 15 131.0253 0.0000 . 1 . . 237860 . . 382 ALA N . 52228 1 1978 . 1 . 1 383 383 ALA H H 1 8.7699 0.0000 . 1 . . 253881 . . 383 ALA H . 52228 1 1979 . 1 . 1 383 383 ALA C C 13 174.7411 0.0000 . 1 . . 315529 . . 383 ALA C . 52228 1 1980 . 1 . 1 383 383 ALA CA C 13 49.5480 0.0000 . 1 . . 315530 . . 383 ALA CA . 52228 1 1981 . 1 . 1 383 383 ALA CB C 13 16.8986 0.0000 . 1 . . 315537 . . 383 ALA CB . 52228 1 1982 . 1 . 1 383 383 ALA N N 15 125.3304 0.0000 . 1 . . 253883 . . 383 ALA N . 52228 1 1983 . 1 . 1 384 384 PRO C C 13 177.0484 0.0000 . 1 . . . . . 384 PRO C . 52228 1 1984 . 1 . 1 384 384 PRO CA C 13 61.8832 0.0000 . 1 . . 273413 . . 384 PRO CA . 52228 1 1985 . 1 . 1 384 384 PRO CB C 13 30.1445 0.0000 . 1 . . . . . 384 PRO CB . 52228 1 1986 . 1 . 1 385 385 SER H H 1 7.8922 0.0000 . 1 . . 242073 . . 385 SER H . 52228 1 1987 . 1 . 1 385 385 SER C C 13 173.4610 0.0000 . 1 . . 548486 . . 385 SER C . 52228 1 1988 . 1 . 1 385 385 SER CA C 13 57.7785 0.0000 . 1 . . 273407 . . 385 SER CA . 52228 1 1989 . 1 . 1 385 385 SER CB C 13 63.3129 0.0000 . 1 . . 548488 . . 385 SER CB . 52228 1 1990 . 1 . 1 385 385 SER N N 15 116.7943 0.0000 . 1 . . 242075 . . 385 SER N . 52228 1 1991 . 1 . 1 386 386 VAL H H 1 8.0733 0.0000 . 1 . . 253968 . . 386 VAL H . 52228 1 1992 . 1 . 1 386 386 VAL HG11 H 1 0.5690 0.0000 . 2 . . 762807 . . 386 VAL HG11 . 52228 1 1993 . 1 . 1 386 386 VAL HG12 H 1 0.5690 0.0000 . 2 . . 762807 . . 386 VAL HG11 . 52228 1 1994 . 1 . 1 386 386 VAL HG13 H 1 0.5690 0.0000 . 2 . . 762807 . . 386 VAL HG11 . 52228 1 1995 . 1 . 1 386 386 VAL HG21 H 1 0.5800 0.0000 . 2 . . 762807 . . 386 VAL HG21 . 52228 1 1996 . 1 . 1 386 386 VAL HG22 H 1 0.5800 0.0000 . 2 . . 762807 . . 386 VAL HG21 . 52228 1 1997 . 1 . 1 386 386 VAL HG23 H 1 0.5800 0.0000 . 2 . . 762807 . . 386 VAL HG21 . 52228 1 1998 . 1 . 1 386 386 VAL C C 13 174.1920 0.0000 . 1 . . 456406 . . 386 VAL C . 52228 1 1999 . 1 . 1 386 386 VAL CA C 13 60.7634 0.0000 . 1 . . 457606 . . 386 VAL CA . 52228 1 2000 . 1 . 1 386 386 VAL CB C 13 32.3365 0.0000 . 1 . . 456417 . . 386 VAL CB . 52228 1 2001 . 1 . 1 386 386 VAL CG1 C 13 21.4490 0.0000 . 2 . . 453624 . . 386 VAL CG1 . 52228 1 2002 . 1 . 1 386 386 VAL CG2 C 13 21.1760 0.0000 . 2 . . 453624 . . 386 VAL CG2 . 52228 1 2003 . 1 . 1 386 386 VAL N N 15 124.9597 0.0000 . 1 . . 253970 . . 386 VAL N . 52228 1 2004 . 1 . 1 387 387 PHE H H 1 9.0572 0.0000 . 1 . . 254079 . . 387 PHE H . 52228 1 2005 . 1 . 1 387 387 PHE C C 13 172.6784 0.0000 . 1 . . 456409 . . 387 PHE C . 52228 1 2006 . 1 . 1 387 387 PHE CA C 13 55.3313 0.0000 . 1 . . 456420 . . 387 PHE CA . 52228 1 2007 . 1 . 1 387 387 PHE CB C 13 42.3804 0.0000 . 1 . . 456424 . . 387 PHE CB . 52228 1 2008 . 1 . 1 387 387 PHE N N 15 124.6203 0.0000 . 1 . . 254081 . . 387 PHE N . 52228 1 2009 . 1 . 1 388 388 ILE H H 1 8.1498 0.0000 . 1 . . 247965 . . 388 ILE H . 52228 1 2010 . 1 . 1 388 388 ILE HD11 H 1 1.0790 0.0000 . 1 . . 454437 . . 388 ILE HD11 . 52228 1 2011 . 1 . 1 388 388 ILE HD12 H 1 1.0790 0.0000 . 1 . . 454437 . . 388 ILE HD11 . 52228 1 2012 . 1 . 1 388 388 ILE HD13 H 1 1.0790 0.0000 . 1 . . 454437 . . 388 ILE HD11 . 52228 1 2013 . 1 . 1 388 388 ILE C C 13 172.3526 0.0000 . 1 . . 272413 . . 388 ILE C . 52228 1 2014 . 1 . 1 388 388 ILE CA C 13 58.4222 0.0000 . 1 . . 272415 . . 388 ILE CA . 52228 1 2015 . 1 . 1 388 388 ILE CB C 13 41.9377 0.0000 . 1 . . 272414 . . 388 ILE CB . 52228 1 2016 . 1 . 1 388 388 ILE CD1 C 13 14.9870 0.0000 . 1 . . 456682 . . 388 ILE CD1 . 52228 1 2017 . 1 . 1 388 388 ILE N N 15 119.6627 0.0000 . 1 . . 247967 . . 388 ILE N . 52228 1 2018 . 1 . 1 389 389 PHE H H 1 9.1724 0.0000 . 1 . . 238431 . . 389 PHE H . 52228 1 2019 . 1 . 1 389 389 PHE C C 13 173.0513 0.0000 . 1 . . 269908 . . 389 PHE C . 52228 1 2020 . 1 . 1 389 389 PHE CA C 13 53.8496 0.0000 . 1 . . 269909 . . 389 PHE CA . 52228 1 2021 . 1 . 1 389 389 PHE CB C 13 41.1865 0.0000 . 1 . . 269913 . . 389 PHE CB . 52228 1 2022 . 1 . 1 389 389 PHE N N 15 123.9645 0.0000 . 1 . . 238433 . . 389 PHE N . 52228 1 2023 . 1 . 1 391 391 PRO C C 13 176.5963 0.0000 . 1 . . 272733 . . 391 PRO C . 52228 1 2024 . 1 . 1 391 391 PRO CA C 13 61.9087 0.0000 . 1 . . 272743 . . 391 PRO CA . 52228 1 2025 . 1 . 1 391 391 PRO CB C 13 30.5165 0.0000 . 1 . . 272738 . . 391 PRO CB . 52228 1 2026 . 1 . 1 392 392 SER H H 1 9.4427 0.0000 . 1 . . 239100 . . 392 SER H . 52228 1 2027 . 1 . 1 392 392 SER C C 13 175.0840 0.0000 . 1 . . 272732 . . 392 SER C . 52228 1 2028 . 1 . 1 392 392 SER CA C 13 57.2399 0.0000 . 1 . . 272737 . . 392 SER CA . 52228 1 2029 . 1 . 1 392 392 SER CB C 13 65.1546 0.0000 . 1 . . 272734 . . 392 SER CB . 52228 1 2030 . 1 . 1 392 392 SER N N 15 118.6908 0.0000 . 1 . . 239102 . . 392 SER N . 52228 1 2031 . 1 . 1 393 393 ASP H H 1 8.9030 0.0000 . 1 . . 254460 . . 393 ASP H . 52228 1 2032 . 1 . 1 393 393 ASP C C 13 179.1619 0.0000 . 1 . . 319322 . . 393 ASP C . 52228 1 2033 . 1 . 1 393 393 ASP CA C 13 57.4156 0.0000 . 1 . . 319327 . . 393 ASP CA . 52228 1 2034 . 1 . 1 393 393 ASP CB C 13 39.8561 0.0000 . 1 . . 319326 . . 393 ASP CB . 52228 1 2035 . 1 . 1 393 393 ASP N N 15 123.4733 0.0000 . 1 . . 254462 . . 393 ASP N . 52228 1 2036 . 1 . 1 394 394 GLU H H 1 8.9994 0.0000 . 1 . . 239121 . . 394 GLU H . 52228 1 2037 . 1 . 1 394 394 GLU C C 13 178.7694 0.0000 . 1 . . 272813 . . 394 GLU C . 52228 1 2038 . 1 . 1 394 394 GLU CA C 13 59.3997 0.0000 . 1 . . 272817 . . 394 GLU CA . 52228 1 2039 . 1 . 1 394 394 GLU CB C 13 28.8726 0.0000 . 1 . . 272814 . . 394 GLU CB . 52228 1 2040 . 1 . 1 394 394 GLU N N 15 118.3609 0.0000 . 1 . . 239123 . . 394 GLU N . 52228 1 2041 . 1 . 1 395 395 GLN H H 1 7.6915 0.0000 . 1 . . 328255 . . 395 GLN H . 52228 1 2042 . 1 . 1 395 395 GLN C C 13 179.6799 0.0000 . 1 . . 328298 . . 395 GLN C . 52228 1 2043 . 1 . 1 395 395 GLN CA C 13 58.5661 0.0000 . 1 . . 328296 . . 395 GLN CA . 52228 1 2044 . 1 . 1 395 395 GLN CB C 13 25.5925 0.0000 . 1 . . 328294 . . 395 GLN CB . 52228 1 2045 . 1 . 1 395 395 GLN N N 15 120.7637 0.0000 . 1 . . 328257 . . 395 GLN N . 52228 1 2046 . 1 . 1 396 396 LEU H H 1 7.8435 0.0000 . 1 . . 255447 . . 396 LEU H . 52228 1 2047 . 1 . 1 396 396 LEU HD11 H 1 0.8820 0.0000 . 2 . . 454674 . . 396 LEU HD11 . 52228 1 2048 . 1 . 1 396 396 LEU HD12 H 1 0.8820 0.0000 . 2 . . 454674 . . 396 LEU HD11 . 52228 1 2049 . 1 . 1 396 396 LEU HD13 H 1 0.8820 0.0000 . 2 . . 454674 . . 396 LEU HD11 . 52228 1 2050 . 1 . 1 396 396 LEU HD21 H 1 0.6160 0.0000 . 2 . . 454896 . . 396 LEU HD21 . 52228 1 2051 . 1 . 1 396 396 LEU HD22 H 1 0.6160 0.0000 . 2 . . 454896 . . 396 LEU HD21 . 52228 1 2052 . 1 . 1 396 396 LEU HD23 H 1 0.6160 0.0000 . 2 . . 454896 . . 396 LEU HD21 . 52228 1 2053 . 1 . 1 396 396 LEU C C 13 180.1258 0.0000 . 1 . . 271451 . . 396 LEU C . 52228 1 2054 . 1 . 1 396 396 LEU CA C 13 57.7260 0.0000 . 1 . . 271456 . . 396 LEU CA . 52228 1 2055 . 1 . 1 396 396 LEU CB C 13 40.5726 0.0000 . 1 . . 271457 . . 396 LEU CB . 52228 1 2056 . 1 . 1 396 396 LEU CD1 C 13 25.3640 0.0000 . 2 . . 453291 . . 396 LEU CD1 . 52228 1 2057 . 1 . 1 396 396 LEU CD2 C 13 23.4400 0.0000 . 2 . . 453504 . . 396 LEU CD2 . 52228 1 2058 . 1 . 1 396 396 LEU N N 15 121.1289 0.0000 . 1 . . 255449 . . 396 LEU N . 52228 1 2059 . 1 . 1 397 397 LYS H H 1 7.6632 0.0000 . 1 . . 260631 . . 397 LYS H . 52228 1 2060 . 1 . 1 397 397 LYS C C 13 177.8399 0.0000 . 1 . . 273142 . . 397 LYS C . 52228 1 2061 . 1 . 1 397 397 LYS CA C 13 58.5821 0.0000 . 1 . . 273141 . . 397 LYS CA . 52228 1 2062 . 1 . 1 397 397 LYS CB C 13 31.3068 0.0000 . 1 . . 273143 . . 397 LYS CB . 52228 1 2063 . 1 . 1 397 397 LYS N N 15 117.6609 0.0000 . 1 . . 260633 . . 397 LYS N . 52228 1 2064 . 1 . 1 398 398 SER H H 1 7.9696 0.0000 . 1 . . 251835 . . 398 SER H . 52228 1 2065 . 1 . 1 398 398 SER C C 13 175.4063 0.0000 . 1 . . 274593 . . 398 SER C . 52228 1 2066 . 1 . 1 398 398 SER CA C 13 58.9522 0.0000 . 1 . . 274591 . . 398 SER CA . 52228 1 2067 . 1 . 1 398 398 SER CB C 13 64.3474 0.0000 . 1 . . 274592 . . 398 SER CB . 52228 1 2068 . 1 . 1 398 398 SER N N 15 113.8591 0.0000 . 1 . . 251837 . . 398 SER N . 52228 1 2069 . 1 . 1 399 399 GLY H H 1 7.9504 0.0000 . 1 . . 258882 . . 399 GLY H . 52228 1 2070 . 1 . 1 399 399 GLY CA C 13 45.6138 0.0000 . 1 . . 277116 . . 399 GLY CA . 52228 1 2071 . 1 . 1 399 399 GLY N N 15 107.7479 0.0000 . 1 . . 258884 . . 399 GLY N . 52228 1 2072 . 1 . 1 400 400 THR H H 1 7.5100 0.0000 . 1 . . . . . 400 THR H . 52228 1 2073 . 1 . 1 400 400 THR C C 13 169.7347 0.0000 . 1 . . 847349 . . 400 THR C . 52228 1 2074 . 1 . 1 400 400 THR CA C 13 60.8797 0.0000 . 1 . . 327455 . . 400 THR CA . 52228 1 2075 . 1 . 1 400 400 THR CB C 13 71.9753 0.0000 . 1 . . 847345 . . 400 THR CB . 52228 1 2076 . 1 . 1 400 400 THR N N 15 116.1500 0.0000 . 1 . . . . . 400 THR N . 52228 1 2077 . 1 . 1 401 401 ALA H H 1 8.6408 0.0000 . 1 . . 238821 . . 401 ALA H . 52228 1 2078 . 1 . 1 401 401 ALA C C 13 174.5137 0.0000 . 1 . . 847353 . . 401 ALA C . 52228 1 2079 . 1 . 1 401 401 ALA CA C 13 50.2367 0.0000 . 1 . . 327462 . . 401 ALA CA . 52228 1 2080 . 1 . 1 401 401 ALA CB C 13 21.3921 0.0000 . 1 . . 847365 . . 401 ALA CB . 52228 1 2081 . 1 . 1 401 401 ALA N N 15 121.3108 0.0000 . 1 . . 238823 . . 401 ALA N . 52228 1 2082 . 1 . 1 402 402 SER H H 1 7.5193 0.0000 . 1 . . 239346 . . 402 SER H . 52228 1 2083 . 1 . 1 402 402 SER C C 13 172.1285 0.0000 . 1 . . 337069 . . 402 SER C . 52228 1 2084 . 1 . 1 402 402 SER CA C 13 57.2480 0.0000 . 1 . . 337077 . . 402 SER CA . 52228 1 2085 . 1 . 1 402 402 SER CB C 13 61.9207 0.0000 . 1 . . 337087 . . 402 SER CB . 52228 1 2086 . 1 . 1 402 402 SER N N 15 116.6413 0.0000 . 1 . . 239348 . . 402 SER N . 52228 1 2087 . 1 . 1 403 403 VAL H H 1 9.1509 0.0000 . 1 . . 238176 . . 403 VAL H . 52228 1 2088 . 1 . 1 403 403 VAL HG11 H 1 1.3620 0.0000 . 2 . . 454356 . . 403 VAL HG11 . 52228 1 2089 . 1 . 1 403 403 VAL HG12 H 1 1.3620 0.0000 . 2 . . 454356 . . 403 VAL HG11 . 52228 1 2090 . 1 . 1 403 403 VAL HG13 H 1 1.3620 0.0000 . 2 . . 454356 . . 403 VAL HG11 . 52228 1 2091 . 1 . 1 403 403 VAL HG21 H 1 0.5860 0.0000 . 2 . . 454908 . . 403 VAL HG21 . 52228 1 2092 . 1 . 1 403 403 VAL HG22 H 1 0.5860 0.0000 . 2 . . 454908 . . 403 VAL HG21 . 52228 1 2093 . 1 . 1 403 403 VAL HG23 H 1 0.5860 0.0000 . 2 . . 454908 . . 403 VAL HG21 . 52228 1 2094 . 1 . 1 403 403 VAL C C 13 174.8377 0.0000 . 1 . . 268799 . . 403 VAL C . 52228 1 2095 . 1 . 1 403 403 VAL CA C 13 60.1802 0.0000 . 1 . . 268802 . . 403 VAL CA . 52228 1 2096 . 1 . 1 403 403 VAL CB C 13 31.4618 0.0000 . 1 . . 268801 . . 403 VAL CB . 52228 1 2097 . 1 . 1 403 403 VAL CG1 C 13 24.8380 0.0000 . 2 . . 453324 . . 403 VAL CG1 . 52228 1 2098 . 1 . 1 403 403 VAL CG2 C 13 20.4320 0.0000 . 2 . . 453852 . . 403 VAL CG2 . 52228 1 2099 . 1 . 1 403 403 VAL N N 15 126.5801 0.0000 . 1 . . 238178 . . 403 VAL N . 52228 1 2100 . 1 . 1 404 404 VAL H H 1 7.9992 0.0000 . 1 . . 238341 . . 404 VAL H . 52228 1 2101 . 1 . 1 404 404 VAL HG11 H 1 0.7690 0.0000 . 2 . . 762810 . . 404 VAL HG11 . 52228 1 2102 . 1 . 1 404 404 VAL HG12 H 1 0.7690 0.0000 . 2 . . 762810 . . 404 VAL HG11 . 52228 1 2103 . 1 . 1 404 404 VAL HG13 H 1 0.7690 0.0000 . 2 . . 762810 . . 404 VAL HG11 . 52228 1 2104 . 1 . 1 404 404 VAL HG21 H 1 0.8060 0.0000 . 2 . . 762810 . . 404 VAL HG21 . 52228 1 2105 . 1 . 1 404 404 VAL HG22 H 1 0.8060 0.0000 . 2 . . 762810 . . 404 VAL HG21 . 52228 1 2106 . 1 . 1 404 404 VAL HG23 H 1 0.8060 0.0000 . 2 . . 762810 . . 404 VAL HG21 . 52228 1 2107 . 1 . 1 404 404 VAL C C 13 174.2536 0.0000 . 1 . . 316095 . . 404 VAL C . 52228 1 2108 . 1 . 1 404 404 VAL CA C 13 61.3588 0.0000 . 1 . . 316099 . . 404 VAL CA . 52228 1 2109 . 1 . 1 404 404 VAL CB C 13 34.4355 0.0000 . 1 . . 316103 . . 404 VAL CB . 52228 1 2110 . 1 . 1 404 404 VAL CG1 C 13 20.2040 0.0000 . 2 . . 453651 . . 404 VAL CG1 . 52228 1 2111 . 1 . 1 404 404 VAL CG2 C 13 21.3070 0.0000 . 2 . . 453894 . . 404 VAL CG2 . 52228 1 2112 . 1 . 1 404 404 VAL N N 15 125.0856 0.0000 . 1 . . 238343 . . 404 VAL N . 52228 1 2113 . 1 . 1 405 405 CYS H H 1 9.7842 0.0000 . 1 . . 253206 . . 405 CYS H . 52228 1 2114 . 1 . 1 405 405 CYS C C 13 171.8741 0.0000 . 1 . . 268370 . . 405 CYS C . 52228 1 2115 . 1 . 1 405 405 CYS CA C 13 53.8653 0.0000 . 1 . . 268377 . . 405 CYS CA . 52228 1 2116 . 1 . 1 405 405 CYS CB C 13 43.7733 0.0000 . 1 . . 268375 . . 405 CYS CB . 52228 1 2117 . 1 . 1 405 405 CYS N N 15 127.5316 0.0000 . 1 . . 253208 . . 405 CYS N . 52228 1 2118 . 1 . 1 406 406 LEU H H 1 9.4627 0.0000 . 1 . . 237993 . . 406 LEU H . 52228 1 2119 . 1 . 1 406 406 LEU HD11 H 1 1.1090 0.0000 . 2 . . . . . 406 LEU HD11 . 52228 1 2120 . 1 . 1 406 406 LEU HD12 H 1 1.1090 0.0000 . 2 . . . . . 406 LEU HD11 . 52228 1 2121 . 1 . 1 406 406 LEU HD13 H 1 1.1090 0.0000 . 2 . . . . . 406 LEU HD11 . 52228 1 2122 . 1 . 1 406 406 LEU HD21 H 1 0.8360 0.0000 . 2 . . . . . 406 LEU HD21 . 52228 1 2123 . 1 . 1 406 406 LEU HD22 H 1 0.8360 0.0000 . 2 . . . . . 406 LEU HD21 . 52228 1 2124 . 1 . 1 406 406 LEU HD23 H 1 0.8360 0.0000 . 2 . . . . . 406 LEU HD21 . 52228 1 2125 . 1 . 1 406 406 LEU C C 13 173.0349 0.0000 . 1 . . 268268 . . 406 LEU C . 52228 1 2126 . 1 . 1 406 406 LEU CA C 13 52.9082 0.0000 . 1 . . 268266 . . 406 LEU CA . 52228 1 2127 . 1 . 1 406 406 LEU CB C 13 45.8628 0.0000 . 1 . . 268265 . . 406 LEU CB . 52228 1 2128 . 1 . 1 406 406 LEU CD1 C 13 24.0850 0.0000 . 2 . . 453258 . . 406 LEU CD1 . 52228 1 2129 . 1 . 1 406 406 LEU CD2 C 13 26.0820 0.0000 . 2 . . 453405 . . 406 LEU CD2 . 52228 1 2130 . 1 . 1 406 406 LEU N N 15 128.0828 0.0000 . 1 . . 237995 . . 406 LEU N . 52228 1 2131 . 1 . 1 407 407 LEU H H 1 9.5859 0.0000 . 1 . . 240279 . . 407 LEU H . 52228 1 2132 . 1 . 1 407 407 LEU HD11 H 1 0.6260 0.0000 . 2 . . 454884 . . 407 LEU HD11 . 52228 1 2133 . 1 . 1 407 407 LEU HD12 H 1 0.6260 0.0000 . 2 . . 454884 . . 407 LEU HD11 . 52228 1 2134 . 1 . 1 407 407 LEU HD13 H 1 0.6260 0.0000 . 2 . . 454884 . . 407 LEU HD11 . 52228 1 2135 . 1 . 1 407 407 LEU HD21 H 1 0.2010 0.0000 . 2 . . 455049 . . 407 LEU HD21 . 52228 1 2136 . 1 . 1 407 407 LEU HD22 H 1 0.2010 0.0000 . 2 . . 455049 . . 407 LEU HD21 . 52228 1 2137 . 1 . 1 407 407 LEU HD23 H 1 0.2010 0.0000 . 2 . . 455049 . . 407 LEU HD21 . 52228 1 2138 . 1 . 1 407 407 LEU C C 13 175.0965 0.0000 . 1 . . 268334 . . 407 LEU C . 52228 1 2139 . 1 . 1 407 407 LEU CA C 13 53.7069 0.0000 . 1 . . 268328 . . 407 LEU CA . 52228 1 2140 . 1 . 1 407 407 LEU CB C 13 43.0273 0.0000 . 1 . . 268336 . . 407 LEU CB . 52228 1 2141 . 1 . 1 407 407 LEU CD1 C 13 22.7670 0.0000 . 2 . . 453534 . . 407 LEU CD1 . 52228 1 2142 . 1 . 1 407 407 LEU CD2 C 13 26.9040 0.0000 . 2 . . 453222 . . 407 LEU CD2 . 52228 1 2143 . 1 . 1 407 407 LEU N N 15 127.6494 0.0000 . 1 . . 240281 . . 407 LEU N . 52228 1 2144 . 1 . 1 408 408 ASN H H 1 9.4592 0.0000 . 1 . . 238701 . . 408 ASN H . 52228 1 2145 . 1 . 1 408 408 ASN C C 13 175.0706 0.0000 . 1 . . 321755 . . 408 ASN C . 52228 1 2146 . 1 . 1 408 408 ASN CA C 13 51.9176 0.0000 . 1 . . 321761 . . 408 ASN CA . 52228 1 2147 . 1 . 1 408 408 ASN CB C 13 41.7965 0.0000 . 1 . . 321760 . . 408 ASN CB . 52228 1 2148 . 1 . 1 408 408 ASN N N 15 122.3123 0.0000 . 1 . . 238703 . . 408 ASN N . 52228 1 2149 . 1 . 1 409 409 ASN H H 1 8.3334 0.0000 . 1 . . 254910 . . 409 ASN H . 52228 1 2150 . 1 . 1 409 409 ASN C C 13 172.0390 0.0000 . 1 . . 270675 . . 409 ASN C . 52228 1 2151 . 1 . 1 409 409 ASN CA C 13 53.8278 0.0000 . 1 . . 270676 . . 409 ASN CA . 52228 1 2152 . 1 . 1 409 409 ASN CB C 13 36.6755 0.0000 . 1 . . 270674 . . 409 ASN CB . 52228 1 2153 . 1 . 1 409 409 ASN N N 15 122.5928 0.0000 . 1 . . 254912 . . 409 ASN N . 52228 1 2154 . 1 . 1 410 410 PHE H H 1 9.2561 0.0000 . 1 . . 239388 . . 410 PHE H . 52228 1 2155 . 1 . 1 410 410 PHE C C 13 174.1131 0.0000 . 1 . . 273730 . . 410 PHE C . 52228 1 2156 . 1 . 1 410 410 PHE CA C 13 54.3393 0.0000 . 1 . . 273736 . . 410 PHE CA . 52228 1 2157 . 1 . 1 410 410 PHE CB C 13 42.5381 0.0000 . 1 . . 273732 . . 410 PHE CB . 52228 1 2158 . 1 . 1 410 410 PHE N N 15 116.3542 0.0000 . 1 . . 239390 . . 410 PHE N . 52228 1 2159 . 1 . 1 411 411 TYR H H 1 9.4390 0.0000 . 1 . . 238956 . . 411 TYR H . 52228 1 2160 . 1 . 1 411 411 TYR C C 13 174.7081 0.0000 . 1 . . 272125 . . 411 TYR C . 52228 1 2161 . 1 . 1 411 411 TYR CA C 13 58.8032 0.0000 . 1 . . 272126 . . 411 TYR CA . 52228 1 2162 . 1 . 1 411 411 TYR CB C 13 41.8153 0.0000 . 1 . . 272122 . . 411 TYR CB . 52228 1 2163 . 1 . 1 411 411 TYR N N 15 119.9028 0.0000 . 1 . . 238958 . . 411 TYR N . 52228 1 2164 . 1 . 1 412 412 PRO C C 13 175.3654 0.0000 . 1 . . 273158 . . 412 PRO C . 52228 1 2165 . 1 . 1 412 412 PRO CA C 13 61.7293 0.0000 . 1 . . 273165 . . 412 PRO CA . 52228 1 2166 . 1 . 1 412 412 PRO CB C 13 34.5913 0.0000 . 1 . . 357826 . . 412 PRO CB . 52228 1 2167 . 1 . 1 413 413 ARG H H 1 8.3720 0.0000 . 1 . . 239223 . . 413 ARG H . 52228 1 2168 . 1 . 1 413 413 ARG C C 13 175.8819 0.0000 . 1 . . 428147 . . 413 ARG C . 52228 1 2169 . 1 . 1 413 413 ARG CA C 13 57.8871 0.0000 . 1 . . 428155 . . 413 ARG CA . 52228 1 2170 . 1 . 1 413 413 ARG CB C 13 28.8322 0.0000 . 1 . . 428157 . . 413 ARG CB . 52228 1 2171 . 1 . 1 413 413 ARG N N 15 117.5307 0.0000 . 1 . . 239225 . . 413 ARG N . 52228 1 2172 . 1 . 1 414 414 GLU H H 1 7.4544 0.0000 . 1 . . 256824 . . 414 GLU H . 52228 1 2173 . 1 . 1 414 414 GLU C C 13 174.8615 0.0000 . 1 . . 497078 . . 414 GLU C . 52228 1 2174 . 1 . 1 414 414 GLU CA C 13 57.9136 0.0000 . 1 . . 315630 . . 414 GLU CA . 52228 1 2175 . 1 . 1 414 414 GLU CB C 13 27.6650 0.0000 . 1 . . 497082 . . 414 GLU CB . 52228 1 2176 . 1 . 1 414 414 GLU N N 15 116.5714 0.0000 . 1 . . 256826 . . 414 GLU N . 52228 1 2177 . 1 . 1 415 415 ALA H H 1 7.6577 0.0000 . 1 . . 238305 . . 415 ALA H . 52228 1 2178 . 1 . 1 415 415 ALA C C 13 175.4778 0.0000 . 1 . . 315621 . . 415 ALA C . 52228 1 2179 . 1 . 1 415 415 ALA CA C 13 50.7748 0.0000 . 1 . . 315626 . . 415 ALA CA . 52228 1 2180 . 1 . 1 415 415 ALA CB C 13 20.6416 0.0000 . 1 . . 315624 . . 415 ALA CB . 52228 1 2181 . 1 . 1 415 415 ALA N N 15 125.3018 0.0000 . 1 . . 238307 . . 415 ALA N . 52228 1 2182 . 1 . 1 416 416 LYS H H 1 8.2421 0.0000 . 1 . . 255279 . . 416 LYS H . 52228 1 2183 . 1 . 1 416 416 LYS C C 13 174.3430 0.0000 . 1 . . 326480 . . 416 LYS C . 52228 1 2184 . 1 . 1 416 416 LYS CA C 13 54.9009 0.0000 . 1 . . 326487 . . 416 LYS CA . 52228 1 2185 . 1 . 1 416 416 LYS CB C 13 33.9825 0.0000 . 1 . . 326486 . . 416 LYS CB . 52228 1 2186 . 1 . 1 416 416 LYS N N 15 121.5614 0.0000 . 1 . . 255281 . . 416 LYS N . 52228 1 2187 . 1 . 1 417 417 VAL H H 1 8.6701 0.0000 . 1 . . 279206 . . 417 VAL H . 52228 1 2188 . 1 . 1 417 417 VAL HG11 H 1 0.4500 0.0000 . 2 . . 454959 . . 417 VAL HG11 . 52228 1 2189 . 1 . 1 417 417 VAL HG12 H 1 0.4500 0.0000 . 2 . . 454959 . . 417 VAL HG11 . 52228 1 2190 . 1 . 1 417 417 VAL HG13 H 1 0.4500 0.0000 . 2 . . 454959 . . 417 VAL HG11 . 52228 1 2191 . 1 . 1 417 417 VAL HG21 H 1 0.6660 0.0000 . 2 . . 454851 . . 417 VAL HG21 . 52228 1 2192 . 1 . 1 417 417 VAL HG22 H 1 0.6660 0.0000 . 2 . . 454851 . . 417 VAL HG21 . 52228 1 2193 . 1 . 1 417 417 VAL HG23 H 1 0.6660 0.0000 . 2 . . 454851 . . 417 VAL HG21 . 52228 1 2194 . 1 . 1 417 417 VAL C C 13 175.4023 0.0000 . 1 . . 269089 . . 417 VAL C . 52228 1 2195 . 1 . 1 417 417 VAL CA C 13 60.6409 0.0000 . 1 . . 269100 . . 417 VAL CA . 52228 1 2196 . 1 . 1 417 417 VAL CB C 13 32.6134 0.0000 . 1 . . 269097 . . 417 VAL CB . 52228 1 2197 . 1 . 1 417 417 VAL CG1 C 13 21.0520 0.0000 . 2 . . 453666 . . 417 VAL CG1 . 52228 1 2198 . 1 . 1 417 417 VAL CG2 C 13 22.5870 0.0000 . 2 . . 453549 . . 417 VAL CG2 . 52228 1 2199 . 1 . 1 417 417 VAL N N 15 125.6451 0.0000 . 1 . . 279208 . . 417 VAL N . 52228 1 2200 . 1 . 1 418 418 GLN H H 1 8.9397 0.0000 . 1 . . 238239 . . 418 GLN H . 52228 1 2201 . 1 . 1 418 418 GLN C C 13 173.8836 0.0000 . 1 . . 269093 . . 418 GLN C . 52228 1 2202 . 1 . 1 418 418 GLN CA C 13 53.6932 0.0000 . 1 . . 269094 . . 418 GLN CA . 52228 1 2203 . 1 . 1 418 418 GLN CB C 13 31.7930 0.0000 . 1 . . 269095 . . 418 GLN CB . 52228 1 2204 . 1 . 1 418 418 GLN N N 15 125.7164 0.0000 . 1 . . 238241 . . 418 GLN N . 52228 1 2205 . 1 . 1 419 419 TRP H H 1 9.0828 0.0000 . 1 . . 238461 . . 419 TRP H . 52228 1 2206 . 1 . 1 419 419 TRP C C 13 176.2888 0.0000 . 1 . . 269991 . . 419 TRP C . 52228 1 2207 . 1 . 1 419 419 TRP CA C 13 56.3501 0.0000 . 1 . . 269992 . . 419 TRP CA . 52228 1 2208 . 1 . 1 419 419 TRP CB C 13 30.9767 0.0000 . 1 . . 269993 . . 419 TRP CB . 52228 1 2209 . 1 . 1 419 419 TRP N N 15 123.6869 0.0000 . 1 . . 238463 . . 419 TRP N . 52228 1 2210 . 1 . 1 420 420 LYS H H 1 9.3652 0.0000 . 1 . . 238788 . . 420 LYS H . 52228 1 2211 . 1 . 1 420 420 LYS C C 13 175.2556 0.0000 . 1 . . 271297 . . 420 LYS C . 52228 1 2212 . 1 . 1 420 420 LYS CA C 13 54.4056 0.0000 . 1 . . 271302 . . 420 LYS CA . 52228 1 2213 . 1 . 1 420 420 LYS CB C 13 35.6580 0.0000 . 1 . . 271300 . . 420 LYS CB . 52228 1 2214 . 1 . 1 420 420 LYS N N 15 121.5110 0.0000 . 1 . . 238790 . . 420 LYS N . 52228 1 2215 . 1 . 1 421 421 VAL H H 1 8.1930 0.0000 . 1 . . 355140 . . 421 VAL H . 52228 1 2216 . 1 . 1 421 421 VAL HG11 H 1 -0.1020 0.0000 . 2 . . 455145 . . 421 VAL HG11 . 52228 1 2217 . 1 . 1 421 421 VAL HG12 H 1 -0.1020 0.0000 . 2 . . 455145 . . 421 VAL HG11 . 52228 1 2218 . 1 . 1 421 421 VAL HG13 H 1 -0.1020 0.0000 . 2 . . 455145 . . 421 VAL HG11 . 52228 1 2219 . 1 . 1 421 421 VAL HG21 H 1 0.6390 0.0000 . 2 . . 454863 . . 421 VAL HG21 . 52228 1 2220 . 1 . 1 421 421 VAL HG22 H 1 0.6390 0.0000 . 2 . . 454863 . . 421 VAL HG21 . 52228 1 2221 . 1 . 1 421 421 VAL HG23 H 1 0.6390 0.0000 . 2 . . 454863 . . 421 VAL HG21 . 52228 1 2222 . 1 . 1 421 421 VAL C C 13 176.6205 0.0000 . 1 . . 355159 . . 421 VAL C . 52228 1 2223 . 1 . 1 421 421 VAL CA C 13 59.9095 0.0000 . 1 . . 355153 . . 421 VAL CA . 52228 1 2224 . 1 . 1 421 421 VAL CB C 13 33.0204 0.0000 . 1 . . 355165 . . 421 VAL CB . 52228 1 2225 . 1 . 1 421 421 VAL CG1 C 13 20.7260 0.0000 . 2 . . 453834 . . 421 VAL CG1 . 52228 1 2226 . 1 . 1 421 421 VAL CG2 C 13 20.6490 0.0000 . 2 . . 453834 . . 421 VAL CG2 . 52228 1 2227 . 1 . 1 421 421 VAL N N 15 122.7730 0.0000 . 1 . . 355142 . . 421 VAL N . 52228 1 2228 . 1 . 1 422 422 ASP H H 1 9.8681 0.0000 . 1 . . 252846 . . 422 ASP H . 52228 1 2229 . 1 . 1 422 422 ASP C C 13 175.3853 0.0000 . 1 . . 267835 . . 422 ASP C . 52228 1 2230 . 1 . 1 422 422 ASP CA C 13 56.2261 0.0000 . 1 . . 267841 . . 422 ASP CA . 52228 1 2231 . 1 . 1 422 422 ASP CB C 13 39.0554 0.0000 . 1 . . 267838 . . 422 ASP CB . 52228 1 2232 . 1 . 1 422 422 ASP N N 15 130.8568 0.0000 . 1 . . 252848 . . 422 ASP N . 52228 1 2233 . 1 . 1 423 423 ASN H H 1 9.0500 0.0000 . 1 . . . . . 423 ASN H . 52228 1 2234 . 1 . 1 423 423 ASN C C 13 173.2559 0.0000 . 1 . . 276630 . . 423 ASN C . 52228 1 2235 . 1 . 1 423 423 ASN CB C 13 37.9709 0.0000 . 1 . . 276626 . . 423 ASN CB . 52228 1 2236 . 1 . 1 423 423 ASN N N 15 108.9100 0.0000 . 1 . . . . . 423 ASN N . 52228 1 2237 . 1 . 1 424 424 ALA H H 1 7.8984 0.0000 . 1 . . 250653 . . 424 ALA H . 52228 1 2238 . 1 . 1 424 424 ALA C C 13 178.0770 0.0000 . 1 . . 320068 . . 424 ALA C . 52228 1 2239 . 1 . 1 424 424 ALA CA C 13 50.6334 0.0000 . 1 . . 320069 . . 424 ALA CA . 52228 1 2240 . 1 . 1 424 424 ALA N N 15 123.1618 0.0000 . 1 . . 250655 . . 424 ALA N . 52228 1 2241 . 1 . 1 425 425 LEU H H 1 8.7757 0.0000 . 1 . . 253185 . . 425 LEU H . 52228 1 2242 . 1 . 1 425 425 LEU HD11 H 1 0.9150 0.0000 . 2 . . 762813 . . 425 LEU HD11 . 52228 1 2243 . 1 . 1 425 425 LEU HD12 H 1 0.9150 0.0000 . 2 . . 762813 . . 425 LEU HD11 . 52228 1 2244 . 1 . 1 425 425 LEU HD13 H 1 0.9150 0.0000 . 2 . . 762813 . . 425 LEU HD11 . 52228 1 2245 . 1 . 1 425 425 LEU HD21 H 1 0.8070 0.0000 . 2 . . 762813 . . 425 LEU HD21 . 52228 1 2246 . 1 . 1 425 425 LEU HD22 H 1 0.8070 0.0000 . 2 . . 762813 . . 425 LEU HD21 . 52228 1 2247 . 1 . 1 425 425 LEU HD23 H 1 0.8070 0.0000 . 2 . . 762813 . . 425 LEU HD21 . 52228 1 2248 . 1 . 1 425 425 LEU C C 13 177.0542 0.0000 . 1 . . 353977 . . 425 LEU C . 52228 1 2249 . 1 . 1 425 425 LEU CA C 13 55.7584 0.0000 . 1 . . 353983 . . 425 LEU CA . 52228 1 2250 . 1 . 1 425 425 LEU CB C 13 41.2142 0.0000 . 1 . . 353982 . . 425 LEU CB . 52228 1 2251 . 1 . 1 425 425 LEU CD1 C 13 24.6170 0.0000 . 2 . . 456649 . . 425 LEU CD1 . 52228 1 2252 . 1 . 1 425 425 LEU CD2 C 13 24.6090 0.0000 . 2 . . 456649 . . 425 LEU CD2 . 52228 1 2253 . 1 . 1 425 425 LEU N N 15 127.9667 0.0000 . 1 . . 253187 . . 425 LEU N . 52228 1 2254 . 1 . 1 426 426 GLN H H 1 8.4927 0.0000 . 1 . . 441351 . . 426 GLN H . 52228 1 2255 . 1 . 1 426 426 GLN C C 13 175.7128 0.0000 . 1 . . 354434 . . 426 GLN C . 52228 1 2256 . 1 . 1 426 426 GLN CA C 13 53.3012 0.0000 . 1 . . 354427 . . 426 GLN CA . 52228 1 2257 . 1 . 1 426 426 GLN CB C 13 29.8827 0.0000 . 1 . . 354435 . . 426 GLN CB . 52228 1 2258 . 1 . 1 426 426 GLN N N 15 124.1930 0.0000 . 1 . . 441353 . . 426 GLN N . 52228 1 2259 . 1 . 1 427 427 SER H H 1 8.5083 0.0000 . 1 . . 251442 . . 427 SER H . 52228 1 2260 . 1 . 1 427 427 SER C C 13 174.6353 0.0000 . 1 . . 273146 . . 427 SER C . 52228 1 2261 . 1 . 1 427 427 SER CA C 13 57.6416 0.0000 . 1 . . 273151 . . 427 SER CA . 52228 1 2262 . 1 . 1 427 427 SER CB C 13 64.1266 0.0000 . 1 . . 273148 . . 427 SER CB . 52228 1 2263 . 1 . 1 427 427 SER N N 15 117.3581 0.0000 . 1 . . 251444 . . 427 SER N . 52228 1 2264 . 1 . 1 428 428 GLY H H 1 8.6600 0.0000 . 1 . . . . . 428 GLY H . 52228 1 2265 . 1 . 1 428 428 GLY C C 13 174.3092 0.0000 . 1 . . 760553 . . 428 GLY C . 52228 1 2266 . 1 . 1 428 428 GLY CA C 13 45.7547 0.0000 . 1 . . 760559 . . 428 GLY CA . 52228 1 2267 . 1 . 1 428 428 GLY N N 15 111.8800 0.0000 . 1 . . . . . 428 GLY N . 52228 1 2268 . 1 . 1 429 429 ASN H H 1 8.1629 0.0000 . 1 . . 239481 . . 429 ASN H . 52228 1 2269 . 1 . 1 429 429 ASN C C 13 173.3110 0.0000 . 1 . . 847057 . . 429 ASN C . 52228 1 2270 . 1 . 1 429 429 ASN CA C 13 52.1059 0.0000 . 1 . . 847063 . . 429 ASN CA . 52228 1 2271 . 1 . 1 429 429 ASN N N 15 115.1383 0.0000 . 1 . . 239483 . . 429 ASN N . 52228 1 2272 . 1 . 1 430 430 SER H H 1 7.7413 0.0000 . 1 . . 249342 . . 430 SER H . 52228 1 2273 . 1 . 1 430 430 SER C C 13 174.1268 0.0000 . 1 . . 588622 . . 430 SER C . 52228 1 2274 . 1 . 1 430 430 SER CA C 13 55.6925 0.0000 . 1 . . 847077 . . 430 SER CA . 52228 1 2275 . 1 . 1 430 430 SER CB C 13 66.6982 0.0000 . 1 . . 847071 . . 430 SER CB . 52228 1 2276 . 1 . 1 430 430 SER N N 15 110.5969 0.0000 . 1 . . 249344 . . 430 SER N . 52228 1 2277 . 1 . 1 431 431 GLN H H 1 8.1088 0.0000 . 1 . . 483092 . . 431 GLN H . 52228 1 2278 . 1 . 1 431 431 GLN C C 13 175.0056 0.0000 . 1 . . 847047 . . 431 GLN C . 52228 1 2279 . 1 . 1 431 431 GLN CA C 13 54.9713 0.0000 . 1 . . 517222 . . 431 GLN CA . 52228 1 2280 . 1 . 1 431 431 GLN CB C 13 33.1133 0.0000 . 1 . . 847043 . . 431 GLN CB . 52228 1 2281 . 1 . 1 431 431 GLN N N 15 117.0692 0.0000 . 1 . . 483094 . . 431 GLN N . 52228 1 2282 . 1 . 1 432 432 GLU H H 1 8.9586 0.0000 . 1 . . 483383 . . 432 GLU H . 52228 1 2283 . 1 . 1 432 432 GLU C C 13 175.0040 0.0000 . 1 . . 517221 . . 432 GLU C . 52228 1 2284 . 1 . 1 432 432 GLU CA C 13 54.9280 0.0000 . 1 . . 517224 . . 432 GLU CA . 52228 1 2285 . 1 . 1 432 432 GLU CB C 13 32.6541 0.0000 . 1 . . 517226 . . 432 GLU CB . 52228 1 2286 . 1 . 1 432 432 GLU N N 15 124.1265 0.0000 . 1 . . 483385 . . 432 GLU N . 52228 1 2287 . 1 . 1 433 433 SER H H 1 8.6800 0.0000 . 1 . . 239523 . . 433 SER H . 52228 1 2288 . 1 . 1 433 433 SER C C 13 172.4376 0.0000 . 1 . . 339736 . . 433 SER C . 52228 1 2289 . 1 . 1 433 433 SER CA C 13 56.5186 0.0000 . 1 . . 339745 . . 433 SER CA . 52228 1 2290 . 1 . 1 433 433 SER CB C 13 64.6011 0.0000 . 1 . . 339742 . . 433 SER CB . 52228 1 2291 . 1 . 1 433 433 SER N N 15 114.7904 0.0000 . 1 . . 239525 . . 433 SER N . 52228 1 2292 . 1 . 1 434 434 VAL H H 1 8.4313 0.0000 . 1 . . 250434 . . 434 VAL H . 52228 1 2293 . 1 . 1 434 434 VAL HG11 H 1 1.2490 0.0000 . 2 . . 762816 . . 434 VAL HG11 . 52228 1 2294 . 1 . 1 434 434 VAL HG12 H 1 1.2490 0.0000 . 2 . . 762816 . . 434 VAL HG11 . 52228 1 2295 . 1 . 1 434 434 VAL HG13 H 1 1.2490 0.0000 . 2 . . 762816 . . 434 VAL HG11 . 52228 1 2296 . 1 . 1 434 434 VAL HG21 H 1 1.2040 0.0000 . 2 . . 762816 . . 434 VAL HG21 . 52228 1 2297 . 1 . 1 434 434 VAL HG22 H 1 1.2040 0.0000 . 2 . . 762816 . . 434 VAL HG21 . 52228 1 2298 . 1 . 1 434 434 VAL HG23 H 1 1.2040 0.0000 . 2 . . 762816 . . 434 VAL HG21 . 52228 1 2299 . 1 . 1 434 434 VAL C C 13 175.7531 0.0000 . 1 . . 316557 . . 434 VAL C . 52228 1 2300 . 1 . 1 434 434 VAL CA C 13 59.9410 0.0000 . 1 . . 316559 . . 434 VAL CA . 52228 1 2301 . 1 . 1 434 434 VAL CB C 13 34.9301 0.0000 . 1 . . 316561 . . 434 VAL CB . 52228 1 2302 . 1 . 1 434 434 VAL CG1 C 13 20.5090 0.0000 . 2 . . 453633 . . 434 VAL CG1 . 52228 1 2303 . 1 . 1 434 434 VAL CG2 C 13 21.5410 0.0000 . 2 . . 456637 . . 434 VAL CG2 . 52228 1 2304 . 1 . 1 434 434 VAL N N 15 125.0905 0.0000 . 1 . . 250436 . . 434 VAL N . 52228 1 2305 . 1 . 1 435 435 THR H H 1 8.6217 0.0000 . 1 . . 239478 . . 435 THR H . 52228 1 2306 . 1 . 1 435 435 THR C C 13 176.0550 0.0000 . 1 . . 274088 . . 435 THR C . 52228 1 2307 . 1 . 1 435 435 THR CA C 13 61.5925 0.0000 . 1 . . 274092 . . 435 THR CA . 52228 1 2308 . 1 . 1 435 435 THR CB C 13 70.0272 0.0000 . 1 . . 274094 . . 435 THR CB . 52228 1 2309 . 1 . 1 435 435 THR N N 15 115.3685 0.0000 . 1 . . 239480 . . 435 THR N . 52228 1 2310 . 1 . 1 436 436 GLU H H 1 8.1490 0.0000 . 1 . . 239349 . . 436 GLU H . 52228 1 2311 . 1 . 1 436 436 GLU C C 13 176.5370 0.0000 . 1 . . 468208 . . 436 GLU C . 52228 1 2312 . 1 . 1 436 436 GLU CA C 13 55.2961 0.0000 . 1 . . 273642 . . 436 GLU CA . 52228 1 2313 . 1 . 1 436 436 GLU CB C 13 29.2382 0.0000 . 1 . . 468216 . . 436 GLU CB . 52228 1 2314 . 1 . 1 436 436 GLU N N 15 116.1017 0.0000 . 1 . . 239351 . . 436 GLU N . 52228 1 2315 . 1 . 1 437 437 GLN H H 1 8.5162 0.0000 . 1 . . 468130 . . 437 GLN H . 52228 1 2316 . 1 . 1 437 437 GLN C C 13 176.4845 0.0000 . 1 . . 439619 . . 437 GLN C . 52228 1 2317 . 1 . 1 437 437 GLN CA C 13 57.0050 0.0000 . 1 . . 524767 . . 437 GLN CA . 52228 1 2318 . 1 . 1 437 437 GLN CB C 13 28.1027 0.0000 . 1 . . 533939 . . 437 GLN CB . 52228 1 2319 . 1 . 1 437 437 GLN N N 15 122.1410 0.0000 . 1 . . 468132 . . 437 GLN N . 52228 1 2320 . 1 . 1 438 438 ASP H H 1 9.0514 0.0000 . 1 . . 253440 . . 438 ASP H . 52228 1 2321 . 1 . 1 438 438 ASP C C 13 178.6020 0.0000 . 1 . . 846602 . . 438 ASP C . 52228 1 2322 . 1 . 1 438 438 ASP CA C 13 55.2070 0.0000 . 1 . . 268590 . . 438 ASP CA . 52228 1 2323 . 1 . 1 438 438 ASP CB C 13 43.1769 0.0000 . 1 . . . . . 438 ASP CB . 52228 1 2324 . 1 . 1 438 438 ASP N N 15 126.8789 0.0000 . 1 . . 253442 . . 438 ASP N . 52228 1 2325 . 1 . 1 439 439 SER H H 1 8.7154 0.0000 . 1 . . 846157 . . 439 SER H . 52228 1 2326 . 1 . 1 439 439 SER C C 13 174.0005 0.0000 . 1 . . 438092 . . 439 SER C . 52228 1 2327 . 1 . 1 439 439 SER CA C 13 60.8797 0.0000 . 1 . . 438103 . . 439 SER CA . 52228 1 2328 . 1 . 1 439 439 SER CB C 13 62.6746 0.0000 . 1 . . 438107 . . 439 SER CB . 52228 1 2329 . 1 . 1 439 439 SER N N 15 121.8188 0.0000 . 1 . . 846159 . . 439 SER N . 52228 1 2330 . 1 . 1 440 440 LYS H H 1 8.6582 0.0000 . 1 . . 238836 . . 440 LYS H . 52228 1 2331 . 1 . 1 440 440 LYS C C 13 178.0195 0.0000 . 1 . . 542650 . . 440 LYS C . 52228 1 2332 . 1 . 1 440 440 LYS CA C 13 56.8524 0.0000 . 1 . . 538702 . . 440 LYS CA . 52228 1 2333 . 1 . 1 440 440 LYS CB C 13 32.0270 0.0000 . 1 . . 542662 . . 440 LYS CB . 52228 1 2334 . 1 . 1 440 440 LYS N N 15 121.0458 0.0000 . 1 . . 238838 . . 440 LYS N . 52228 1 2335 . 1 . 1 441 441 ASP H H 1 8.5354 0.0000 . 1 . . 256806 . . 441 ASP H . 52228 1 2336 . 1 . 1 441 441 ASP C C 13 176.1733 0.0000 . 1 . . 761973 . . 441 ASP C . 52228 1 2337 . 1 . 1 441 441 ASP CA C 13 52.5976 0.0000 . 1 . . 853318 . . 441 ASP CA . 52228 1 2338 . 1 . 1 441 441 ASP CB C 13 41.3294 0.0000 . 1 . . 853321 . . 441 ASP CB . 52228 1 2339 . 1 . 1 441 441 ASP N N 15 116.5305 0.0000 . 1 . . 256808 . . 441 ASP N . 52228 1 2340 . 1 . 1 442 442 SER H H 1 7.7273 0.0000 . 1 . . 258837 . . 442 SER H . 52228 1 2341 . 1 . 1 442 442 SER C C 13 172.6965 0.0000 . 1 . . 853278 . . 442 SER C . 52228 1 2342 . 1 . 1 442 442 SER CA C 13 59.2535 0.0000 . 1 . . 853275 . . 442 SER CA . 52228 1 2343 . 1 . 1 442 442 SER N N 15 108.4128 0.0000 . 1 . . 258839 . . 442 SER N . 52228 1 2344 . 1 . 1 443 443 THR H H 1 7.7352 0.0000 . 1 . . 258912 . . 443 THR H . 52228 1 2345 . 1 . 1 443 443 THR C C 13 173.0639 0.0000 . 1 . . 846704 . . 443 THR C . 52228 1 2346 . 1 . 1 443 443 THR CA C 13 60.2784 0.0000 . 1 . . 846712 . . 443 THR CA . 52228 1 2347 . 1 . 1 443 443 THR CB C 13 71.3644 0.0000 . 1 . . 846708 . . 443 THR CB . 52228 1 2348 . 1 . 1 443 443 THR N N 15 107.2430 0.0000 . 1 . . 258914 . . 443 THR N . 52228 1 2349 . 1 . 1 444 444 TYR H H 1 8.8713 0.0000 . 1 . . 242091 . . 444 TYR H . 52228 1 2350 . 1 . 1 444 444 TYR C C 13 174.3584 0.0000 . 1 . . 273722 . . 444 TYR C . 52228 1 2351 . 1 . 1 444 444 TYR CA C 13 57.1010 0.0000 . 1 . . 273719 . . 444 TYR CA . 52228 1 2352 . 1 . 1 444 444 TYR CB C 13 40.7109 0.0000 . 1 . . 273720 . . 444 TYR CB . 52228 1 2353 . 1 . 1 444 444 TYR N N 15 116.3505 0.0000 . 1 . . 242093 . . 444 TYR N . 52228 1 2354 . 1 . 1 445 445 SER H H 1 7.6168 0.0000 . 1 . . 258186 . . 445 SER H . 52228 1 2355 . 1 . 1 445 445 SER C C 13 171.1602 0.0000 . 1 . . 456344 . . 445 SER C . 52228 1 2356 . 1 . 1 445 445 SER CA C 13 58.4576 0.0000 . 1 . . 456356 . . 445 SER CA . 52228 1 2357 . 1 . 1 445 445 SER CB C 13 66.1353 0.0000 . 1 . . 456348 . . 445 SER CB . 52228 1 2358 . 1 . 1 445 445 SER N N 15 111.2773 0.0000 . 1 . . 258188 . . 445 SER N . 52228 1 2359 . 1 . 1 446 446 LEU H H 1 9.8930 0.0000 . 1 . . 253716 . . 446 LEU H . 52228 1 2360 . 1 . 1 446 446 LEU HD11 H 1 0.9890 0.0000 . 2 . . 454503 . . 446 LEU HD11 . 52228 1 2361 . 1 . 1 446 446 LEU HD12 H 1 0.9890 0.0000 . 2 . . 454503 . . 446 LEU HD11 . 52228 1 2362 . 1 . 1 446 446 LEU HD13 H 1 0.9890 0.0000 . 2 . . 454503 . . 446 LEU HD11 . 52228 1 2363 . 1 . 1 446 446 LEU HD21 H 1 0.7190 0.0000 . 2 . . 454800 . . 446 LEU HD21 . 52228 1 2364 . 1 . 1 446 446 LEU HD22 H 1 0.7190 0.0000 . 2 . . 454800 . . 446 LEU HD21 . 52228 1 2365 . 1 . 1 446 446 LEU HD23 H 1 0.7190 0.0000 . 2 . . 454800 . . 446 LEU HD21 . 52228 1 2366 . 1 . 1 446 446 LEU C C 13 173.6192 0.0000 . 1 . . 456360 . . 446 LEU C . 52228 1 2367 . 1 . 1 446 446 LEU CA C 13 55.0680 0.0000 . 1 . . 269190 . . 446 LEU CA . 52228 1 2368 . 1 . 1 446 446 LEU CB C 13 46.8606 0.0000 . 1 . . 456372 . . 446 LEU CB . 52228 1 2369 . 1 . 1 446 446 LEU CD1 C 13 27.4710 0.0000 . 2 . . 453198 . . 446 LEU CD1 . 52228 1 2370 . 1 . 1 446 446 LEU CD2 C 13 25.6320 0.0000 . 2 . . 453282 . . 446 LEU CD2 . 52228 1 2371 . 1 . 1 446 446 LEU N N 15 125.5428 0.0000 . 1 . . 253718 . . 446 LEU N . 52228 1 2372 . 1 . 1 447 447 SER H H 1 9.2061 0.0000 . 1 . . 255903 . . 447 SER H . 52228 1 2373 . 1 . 1 447 447 SER C C 13 173.2560 0.0000 . 1 . . 557898 . . 447 SER C . 52228 1 2374 . 1 . 1 447 447 SER CA C 13 55.0018 0.0000 . 1 . . 272382 . . 447 SER CA . 52228 1 2375 . 1 . 1 447 447 SER CB C 13 64.5071 0.0000 . 1 . . 557902 . . 447 SER CB . 52228 1 2376 . 1 . 1 447 447 SER N N 15 119.8456 0.0000 . 1 . . 255905 . . 447 SER N . 52228 1 2377 . 1 . 1 448 448 SER H H 1 9.2555 0.0000 . 1 . . 238989 . . 448 SER H . 52228 1 2378 . 1 . 1 448 448 SER C C 13 174.4228 0.0000 . 1 . . 272379 . . 448 SER C . 52228 1 2379 . 1 . 1 448 448 SER CA C 13 56.4540 0.0000 . 1 . . 371643 . . 448 SER CA . 52228 1 2380 . 1 . 1 448 448 SER CB C 13 63.3260 0.0000 . 1 . . 272381 . . 448 SER CB . 52228 1 2381 . 1 . 1 448 448 SER N N 15 119.7592 0.0000 . 1 . . 238991 . . 448 SER N . 52228 1 2382 . 1 . 1 449 449 THR H H 1 8.9339 0.0000 . 1 . . 254115 . . 449 THR H . 52228 1 2383 . 1 . 1 449 449 THR C C 13 173.4635 0.0000 . 1 . . 317599 . . 449 THR C . 52228 1 2384 . 1 . 1 449 449 THR CA C 13 61.3902 0.0000 . 1 . . 317602 . . 449 THR CA . 52228 1 2385 . 1 . 1 449 449 THR CB C 13 69.8512 0.0000 . 1 . . 317601 . . 449 THR CB . 52228 1 2386 . 1 . 1 449 449 THR N N 15 124.3213 0.0000 . 1 . . 254117 . . 449 THR N . 52228 1 2387 . 1 . 1 450 450 LEU H H 1 9.2566 0.0000 . 1 . . 237813 . . 450 LEU H . 52228 1 2388 . 1 . 1 450 450 LEU HD11 H 1 0.2720 0.0000 . 2 . . 762819 . . 450 LEU HD11 . 52228 1 2389 . 1 . 1 450 450 LEU HD12 H 1 0.2720 0.0000 . 2 . . 762819 . . 450 LEU HD11 . 52228 1 2390 . 1 . 1 450 450 LEU HD13 H 1 0.2720 0.0000 . 2 . . 762819 . . 450 LEU HD11 . 52228 1 2391 . 1 . 1 450 450 LEU HD21 H 1 0.2830 0.0000 . 2 . . 762819 . . 450 LEU HD21 . 52228 1 2392 . 1 . 1 450 450 LEU HD22 H 1 0.2830 0.0000 . 2 . . 762819 . . 450 LEU HD21 . 52228 1 2393 . 1 . 1 450 450 LEU HD23 H 1 0.2830 0.0000 . 2 . . 762819 . . 450 LEU HD21 . 52228 1 2394 . 1 . 1 450 450 LEU C C 13 175.0112 0.0000 . 1 . . 456380 . . 450 LEU C . 52228 1 2395 . 1 . 1 450 450 LEU CA C 13 53.6111 0.0000 . 1 . . 456388 . . 450 LEU CA . 52228 1 2396 . 1 . 1 450 450 LEU CB C 13 41.1960 0.0000 . 1 . . 456392 . . 450 LEU CB . 52228 1 2397 . 1 . 1 450 450 LEU CD1 C 13 23.4540 0.0000 . 2 . . 453441 . . 450 LEU CD1 . 52228 1 2398 . 1 . 1 450 450 LEU CD2 C 13 25.4650 0.0000 . 2 . . 453945 . . 450 LEU CD2 . 52228 1 2399 . 1 . 1 450 450 LEU N N 15 134.4115 0.0000 . 1 . . 237815 . . 450 LEU N . 52228 1 2400 . 1 . 1 451 451 THR H H 1 8.1303 0.0000 . 1 . . 254874 . . 451 THR H . 52228 1 2401 . 1 . 1 451 451 THR C C 13 173.2061 0.0000 . 1 . . 270694 . . 451 THR C . 52228 1 2402 . 1 . 1 451 451 THR CA C 13 61.7518 0.0000 . 1 . . 270696 . . 451 THR CA . 52228 1 2403 . 1 . 1 451 451 THR CB C 13 69.4263 0.0000 . 1 . . 270699 . . 451 THR CB . 52228 1 2404 . 1 . 1 451 451 THR N N 15 122.5367 0.0000 . 1 . . 254876 . . 451 THR N . 52228 1 2405 . 1 . 1 452 452 LEU H H 1 8.8390 0.0000 . 1 . . 240288 . . 452 LEU H . 52228 1 2406 . 1 . 1 452 452 LEU HD11 H 1 0.9640 0.0000 . 2 . . 762822 . . 452 LEU HD11 . 52228 1 2407 . 1 . 1 452 452 LEU HD12 H 1 0.9640 0.0000 . 2 . . 762822 . . 452 LEU HD11 . 52228 1 2408 . 1 . 1 452 452 LEU HD13 H 1 0.9640 0.0000 . 2 . . 762822 . . 452 LEU HD11 . 52228 1 2409 . 1 . 1 452 452 LEU HD21 H 1 0.9640 0.0000 . 2 . . 762822 . . 452 LEU HD21 . 52228 1 2410 . 1 . 1 452 452 LEU HD22 H 1 0.9640 0.0000 . 2 . . 762822 . . 452 LEU HD21 . 52228 1 2411 . 1 . 1 452 452 LEU HD23 H 1 0.9640 0.0000 . 2 . . 762822 . . 452 LEU HD21 . 52228 1 2412 . 1 . 1 452 452 LEU C C 13 176.0456 0.0000 . 1 . . 268515 . . 452 LEU C . 52228 1 2413 . 1 . 1 452 452 LEU CA C 13 52.5677 0.0000 . 1 . . 268519 . . 452 LEU CA . 52228 1 2414 . 1 . 1 452 452 LEU CB C 13 46.3376 0.0000 . 1 . . 268517 . . 452 LEU CB . 52228 1 2415 . 1 . 1 452 452 LEU CD1 C 13 27.0970 0.0000 . 2 . . 453216 . . 452 LEU CD1 . 52228 1 2416 . 1 . 1 452 452 LEU CD2 C 13 24.2350 0.0000 . 2 . . 453393 . . 452 LEU CD2 . 52228 1 2417 . 1 . 1 452 452 LEU N N 15 127.0621 0.0000 . 1 . . 240290 . . 452 LEU N . 52228 1 2418 . 1 . 1 453 453 SER H H 1 9.0508 0.0000 . 1 . . 256995 . . 453 SER H . 52228 1 2419 . 1 . 1 453 453 SER C C 13 174.7490 0.0000 . 1 . . 533564 . . 453 SER C . 52228 1 2420 . 1 . 1 453 453 SER CA C 13 57.8511 0.0000 . 1 . . 273809 . . 453 SER CA . 52228 1 2421 . 1 . 1 453 453 SER CB C 13 64.0623 0.0000 . 1 . . 273810 . . 453 SER CB . 52228 1 2422 . 1 . 1 453 453 SER N N 15 115.9719 0.0000 . 1 . . 256997 . . 453 SER N . 52228 1 2423 . 1 . 1 454 454 LYS H H 1 7.9739 0.0000 . 1 . . 247194 . . 454 LYS H . 52228 1 2424 . 1 . 1 454 454 LYS C C 13 176.9944 0.0000 . 1 . . 768603 . . 454 LYS C . 52228 1 2425 . 1 . 1 454 454 LYS CA C 13 59.9946 0.0000 . 1 . . 768550 . . 454 LYS CA . 52228 1 2426 . 1 . 1 454 454 LYS CB C 13 31.7983 0.0000 . 1 . . 768613 . . 454 LYS CB . 52228 1 2427 . 1 . 1 454 454 LYS N N 15 122.9898 0.0000 . 1 . . 247196 . . 454 LYS N . 52228 1 2428 . 1 . 1 455 455 ALA H H 1 8.3117 0.0000 . 1 . . 248184 . . 455 ALA H . 52228 1 2429 . 1 . 1 455 455 ALA C C 13 180.3035 0.0000 . 1 . . 273051 . . 455 ALA C . 52228 1 2430 . 1 . 1 455 455 ALA CA C 13 54.4772 0.0000 . 1 . . 273052 . . 455 ALA CA . 52228 1 2431 . 1 . 1 455 455 ALA CB C 13 17.5114 0.0000 . 1 . . 273056 . . 455 ALA CB . 52228 1 2432 . 1 . 1 455 455 ALA N N 15 117.8939 0.0000 . 1 . . 248186 . . 455 ALA N . 52228 1 2433 . 1 . 1 456 456 ASP H H 1 7.7232 0.0000 . 1 . . 239253 . . 456 ASP H . 52228 1 2434 . 1 . 1 456 456 ASP C C 13 178.5811 0.0000 . 1 . . 762035 . . 456 ASP C . 52228 1 2435 . 1 . 1 456 456 ASP CA C 13 56.7319 0.0000 . 1 . . 273290 . . 456 ASP CA . 52228 1 2436 . 1 . 1 456 456 ASP CB C 13 40.2408 0.0000 . 1 . . 273289 . . 456 ASP CB . 52228 1 2437 . 1 . 1 456 456 ASP N N 15 117.2076 0.0000 . 1 . . 239255 . . 456 ASP N . 52228 1 2438 . 1 . 1 457 457 TYR H H 1 8.7149 0.0000 . 1 . . 325957 . . 457 TYR H . 52228 1 2439 . 1 . 1 457 457 TYR C C 13 179.5556 0.0000 . 1 . . 357997 . . 457 TYR C . 52228 1 2440 . 1 . 1 457 457 TYR CA C 13 58.5525 0.0000 . 1 . . 358006 . . 457 TYR CA . 52228 1 2441 . 1 . 1 457 457 TYR CB C 13 38.2521 0.0000 . 1 . . 357999 . . 457 TYR CB . 52228 1 2442 . 1 . 1 457 457 TYR N N 15 121.5238 0.0000 . 1 . . 325959 . . 457 TYR N . 52228 1 2443 . 1 . 1 458 458 GLU H H 1 8.0367 0.0000 . 1 . . 257496 . . 458 GLU H . 52228 1 2444 . 1 . 1 458 458 GLU C C 13 175.9506 0.0000 . 1 . . 357996 . . 458 GLU C . 52228 1 2445 . 1 . 1 458 458 GLU CA C 13 57.1437 0.0000 . 1 . . 358000 . . 458 GLU CA . 52228 1 2446 . 1 . 1 458 458 GLU CB C 13 28.2970 0.0000 . 1 . . 358002 . . 458 GLU CB . 52228 1 2447 . 1 . 1 458 458 GLU N N 15 114.0710 0.0000 . 1 . . 257498 . . 458 GLU N . 52228 1 2448 . 1 . 1 459 459 LYS H H 1 7.2488 0.0000 . 1 . . 239295 . . 459 LYS H . 52228 1 2449 . 1 . 1 459 459 LYS C C 13 175.7956 0.0000 . 1 . . 273445 . . 459 LYS C . 52228 1 2450 . 1 . 1 459 459 LYS CA C 13 56.2976 0.0000 . 1 . . 273447 . . 459 LYS CA . 52228 1 2451 . 1 . 1 459 459 LYS CB C 13 32.5354 0.0000 . 1 . . 273448 . . 459 LYS CB . 52228 1 2452 . 1 . 1 459 459 LYS N N 15 116.8516 0.0000 . 1 . . 239297 . . 459 LYS N . 52228 1 2453 . 1 . 1 460 460 HIS H H 1 7.0153 0.0000 . 1 . . 239544 . . 460 HIS H . 52228 1 2454 . 1 . 1 460 460 HIS C C 13 173.0595 0.0000 . 1 . . 357099 . . 460 HIS C . 52228 1 2455 . 1 . 1 460 460 HIS CA C 13 53.9444 0.0000 . 1 . . 357107 . . 460 HIS CA . 52228 1 2456 . 1 . 1 460 460 HIS CB C 13 30.5756 0.0000 . 1 . . 357103 . . 460 HIS CB . 52228 1 2457 . 1 . 1 460 460 HIS N N 15 114.6431 0.0000 . 1 . . 239546 . . 460 HIS N . 52228 1 2458 . 1 . 1 461 461 LYS H H 1 9.4527 0.0000 . 1 . . 255051 . . 461 LYS H . 52228 1 2459 . 1 . 1 461 461 LYS C C 13 174.9302 0.0000 . 1 . . 357117 . . 461 LYS C . 52228 1 2460 . 1 . 1 461 461 LYS CA C 13 58.1516 0.0000 . 1 . . 357114 . . 461 LYS CA . 52228 1 2461 . 1 . 1 461 461 LYS CB C 13 34.4737 0.0000 . 1 . . 357112 . . 461 LYS CB . 52228 1 2462 . 1 . 1 461 461 LYS N N 15 122.1974 0.0000 . 1 . . 255053 . . 461 LYS N . 52228 1 2463 . 1 . 1 462 462 VAL H H 1 8.5317 0.0000 . 1 . . 239040 . . 462 VAL H . 52228 1 2464 . 1 . 1 462 462 VAL HG11 H 1 0.8640 0.0000 . 2 . . 454794 . . 462 VAL HG11 . 52228 1 2465 . 1 . 1 462 462 VAL HG12 H 1 0.8640 0.0000 . 2 . . 454794 . . 462 VAL HG11 . 52228 1 2466 . 1 . 1 462 462 VAL HG13 H 1 0.8640 0.0000 . 2 . . 454794 . . 462 VAL HG11 . 52228 1 2467 . 1 . 1 462 462 VAL HG21 H 1 0.7510 0.0000 . 2 . . 454680 . . 462 VAL HG21 . 52228 1 2468 . 1 . 1 462 462 VAL HG22 H 1 0.7510 0.0000 . 2 . . 454680 . . 462 VAL HG21 . 52228 1 2469 . 1 . 1 462 462 VAL HG23 H 1 0.7510 0.0000 . 2 . . 454680 . . 462 VAL HG21 . 52228 1 2470 . 1 . 1 462 462 VAL C C 13 174.4942 0.0000 . 1 . . 557619 . . 462 VAL C . 52228 1 2471 . 1 . 1 462 462 VAL CA C 13 61.6351 0.0000 . 1 . . 272344 . . 462 VAL CA . 52228 1 2472 . 1 . 1 462 462 VAL CB C 13 32.5036 0.0000 . 1 . . 557631 . . 462 VAL CB . 52228 1 2473 . 1 . 1 462 462 VAL CG1 C 13 21.0380 0.0000 . 2 . . 838524 . . 462 VAL CG1 . 52228 1 2474 . 1 . 1 462 462 VAL CG2 C 13 20.9720 0.0000 . 2 . . 838524 . . 462 VAL CG2 . 52228 1 2475 . 1 . 1 462 462 VAL N N 15 119.4956 0.0000 . 1 . . 239042 . . 462 VAL N . 52228 1 2476 . 1 . 1 463 463 TYR H H 1 8.1917 0.0000 . 1 . . 246570 . . 463 TYR H . 52228 1 2477 . 1 . 1 463 463 TYR C C 13 173.6603 0.0000 . 1 . . 268479 . . 463 TYR C . 52228 1 2478 . 1 . 1 463 463 TYR CA C 13 57.5737 0.0000 . 1 . . 268477 . . 463 TYR CA . 52228 1 2479 . 1 . 1 463 463 TYR CB C 13 41.2010 0.0000 . 1 . . 268478 . . 463 TYR CB . 52228 1 2480 . 1 . 1 463 463 TYR N N 15 127.0793 0.0000 . 1 . . 246572 . . 463 TYR N . 52228 1 2481 . 1 . 1 464 464 ALA H H 1 8.7665 0.0000 . 1 . . 238707 . . 464 ALA H . 52228 1 2482 . 1 . 1 464 464 ALA C C 13 174.0646 0.0000 . 1 . . 516445 . . 464 ALA C . 52228 1 2483 . 1 . 1 464 464 ALA CA C 13 50.0271 0.0000 . 1 . . 516449 . . 464 ALA CA . 52228 1 2484 . 1 . 1 464 464 ALA CB C 13 22.4460 0.0000 . 1 . . 516453 . . 464 ALA CB . 52228 1 2485 . 1 . 1 464 464 ALA N N 15 122.2941 0.0000 . 1 . . 238709 . . 464 ALA N . 52228 1 2486 . 1 . 1 465 465 CYS H H 1 8.6696 0.0000 . 1 . . 473196 . . 465 CYS H . 52228 1 2487 . 1 . 1 465 465 CYS C C 13 171.2683 0.0000 . 1 . . 473349 . . 465 CYS C . 52228 1 2488 . 1 . 1 465 465 CYS CA C 13 51.7946 0.0000 . 1 . . 473352 . . 465 CYS CA . 52228 1 2489 . 1 . 1 465 465 CYS CB C 13 43.9299 0.0000 . 1 . . 313785 . . 465 CYS CB . 52228 1 2490 . 1 . 1 465 465 CYS N N 15 119.3505 0.0000 . 1 . . 473198 . . 465 CYS N . 52228 1 2491 . 1 . 1 466 466 GLU H H 1 8.8907 0.0000 . 1 . . 253656 . . 466 GLU H . 52228 1 2492 . 1 . 1 466 466 GLU C C 13 173.2811 0.0000 . 1 . . 856948 . . 466 GLU C . 52228 1 2493 . 1 . 1 466 466 GLU CA C 13 54.3887 0.0000 . 1 . . 534945 . . 466 GLU CA . 52228 1 2494 . 1 . 1 466 466 GLU CB C 13 32.6650 0.0000 . 1 . . 856960 . . 466 GLU CB . 52228 1 2495 . 1 . 1 466 466 GLU N N 15 125.9528 0.0000 . 1 . . 253658 . . 466 GLU N . 52228 1 2496 . 1 . 1 467 467 VAL H H 1 9.0447 0.0000 . 1 . . 483374 . . 467 VAL H . 52228 1 2497 . 1 . 1 467 467 VAL HG11 H 1 0.8210 0.0000 . 2 . . . . . 467 VAL HG11 . 52228 1 2498 . 1 . 1 467 467 VAL HG12 H 1 0.8210 0.0000 . 2 . . . . . 467 VAL HG11 . 52228 1 2499 . 1 . 1 467 467 VAL HG13 H 1 0.8210 0.0000 . 2 . . . . . 467 VAL HG11 . 52228 1 2500 . 1 . 1 467 467 VAL HG21 H 1 1.0260 0.0000 . 2 . . . . . 467 VAL HG21 . 52228 1 2501 . 1 . 1 467 467 VAL HG22 H 1 1.0260 0.0000 . 2 . . . . . 467 VAL HG21 . 52228 1 2502 . 1 . 1 467 467 VAL HG23 H 1 1.0260 0.0000 . 2 . . . . . 467 VAL HG21 . 52228 1 2503 . 1 . 1 467 467 VAL CA C 13 60.0864 0.0000 . 1 . . 498092 . . 467 VAL CA . 52228 1 2504 . 1 . 1 467 467 VAL CB C 13 28.9095 0.0000 . 1 . . 498095 . . 467 VAL CB . 52228 1 2505 . 1 . 1 467 467 VAL CG1 C 13 20.8050 0.0000 . 2 . . 838488 . . 467 VAL CG1 . 52228 1 2506 . 1 . 1 467 467 VAL CG2 C 13 22.5850 0.0000 . 2 . . 838485 . . 467 VAL CG2 . 52228 1 2507 . 1 . 1 467 467 VAL N N 15 127.4911 0.0000 . 1 . . 483376 . . 467 VAL N . 52228 1 2508 . 1 . 1 468 468 THR C C 13 173.4698 0.0000 . 1 . . 856962 . . 468 THR C . 52228 1 2509 . 1 . 1 468 468 THR CA C 13 60.7484 0.0000 . 1 . . 856972 . . 468 THR CA . 52228 1 2510 . 1 . 1 468 468 THR CB C 13 69.8793 0.0000 . 1 . . 856966 . . 468 THR CB . 52228 1 2511 . 1 . 1 469 469 HIS H H 1 8.0980 0.0000 . 1 . . 259842 . . 469 HIS H . 52228 1 2512 . 1 . 1 469 469 HIS C C 13 174.9408 0.0000 . 1 . . 856918 . . 469 HIS C . 52228 1 2513 . 1 . 1 469 469 HIS CA C 13 57.7397 0.0000 . 1 . . 856910 . . 469 HIS CA . 52228 1 2514 . 1 . 1 469 469 HIS CB C 13 34.3584 0.0000 . 1 . . 856921 . . 469 HIS CB . 52228 1 2515 . 1 . 1 469 469 HIS N N 15 122.9600 0.0000 . 1 . . 259844 . . 469 HIS N . 52228 1 2516 . 1 . 1 470 470 GLN H H 1 8.2058 0.0000 . 1 . . 250326 . . 470 GLN H . 52228 1 2517 . 1 . 1 470 470 GLN C C 13 176.4372 0.0000 . 1 . . 557746 . . 470 GLN C . 52228 1 2518 . 1 . 1 470 470 GLN CA C 13 58.1454 0.0000 . 1 . . 557754 . . 470 GLN CA . 52228 1 2519 . 1 . 1 470 470 GLN CB C 13 28.6553 0.0000 . 1 . . 557756 . . 470 GLN CB . 52228 1 2520 . 1 . 1 470 470 GLN N N 15 125.7042 0.0000 . 1 . . 250328 . . 470 GLN N . 52228 1 2521 . 1 . 1 471 471 GLY H H 1 10.4111 0.0000 . 1 . . 258483 . . 471 GLY H . 52228 1 2522 . 1 . 1 471 471 GLY C C 13 172.9650 0.0000 . 1 . . 588671 . . 471 GLY C . 52228 1 2523 . 1 . 1 471 471 GLY CA C 13 44.9302 0.0000 . 1 . . 588679 . . 471 GLY CA . 52228 1 2524 . 1 . 1 471 471 GLY N N 15 109.6407 0.0000 . 1 . . 258485 . . 471 GLY N . 52228 1 2525 . 1 . 1 472 472 LEU H H 1 8.0698 0.0000 . 1 . . 356599 . . 472 LEU H . 52228 1 2526 . 1 . 1 472 472 LEU HD11 H 1 0.9010 0.0000 . 2 . . 762753 . . 472 LEU HD11 . 52228 1 2527 . 1 . 1 472 472 LEU HD12 H 1 0.9010 0.0000 . 2 . . 762753 . . 472 LEU HD11 . 52228 1 2528 . 1 . 1 472 472 LEU HD13 H 1 0.9010 0.0000 . 2 . . 762753 . . 472 LEU HD11 . 52228 1 2529 . 1 . 1 472 472 LEU HD21 H 1 0.8500 0.0000 . 2 . . 762753 . . 472 LEU HD21 . 52228 1 2530 . 1 . 1 472 472 LEU HD22 H 1 0.8500 0.0000 . 2 . . 762753 . . 472 LEU HD21 . 52228 1 2531 . 1 . 1 472 472 LEU HD23 H 1 0.8500 0.0000 . 2 . . 762753 . . 472 LEU HD21 . 52228 1 2532 . 1 . 1 472 472 LEU C C 13 176.7543 0.0000 . 1 . . 356656 . . 472 LEU C . 52228 1 2533 . 1 . 1 472 472 LEU CA C 13 52.6777 0.0000 . 1 . . 356650 . . 472 LEU CA . 52228 1 2534 . 1 . 1 472 472 LEU CB C 13 41.9713 0.0000 . 1 . . 326850 . . 472 LEU CB . 52228 1 2535 . 1 . 1 472 472 LEU CD1 C 13 26.1530 0.0000 . 2 . . 453270 . . 472 LEU CD1 . 52228 1 2536 . 1 . 1 472 472 LEU CD2 C 13 23.4290 0.0000 . 2 . . 453498 . . 472 LEU CD2 . 52228 1 2537 . 1 . 1 472 472 LEU N N 15 121.5092 0.0000 . 1 . . 356601 . . 472 LEU N . 52228 1 2538 . 1 . 1 473 473 SER H H 1 8.8544 0.0000 . 1 . . 256233 . . 473 SER H . 52228 1 2539 . 1 . 1 473 473 SER C C 13 174.3009 0.0000 . 1 . . 440313 . . 473 SER C . 52228 1 2540 . 1 . 1 473 473 SER CA C 13 60.0794 0.0000 . 1 . . 440317 . . 473 SER CA . 52228 1 2541 . 1 . 1 473 473 SER CB C 13 62.4711 0.0000 . 1 . . 440320 . . 473 SER CB . 52228 1 2542 . 1 . 1 473 473 SER N N 15 118.6683 0.0000 . 1 . . 256235 . . 473 SER N . 52228 1 2543 . 1 . 1 474 474 SER H H 1 7.5823 0.0000 . 1 . . 239550 . . 474 SER H . 52228 1 2544 . 1 . 1 474 474 SER C C 13 170.7511 0.0000 . 1 . . 440312 . . 474 SER C . 52228 1 2545 . 1 . 1 474 474 SER CA C 13 55.9390 0.0000 . 1 . . 440324 . . 474 SER CA . 52228 1 2546 . 1 . 1 474 474 SER CB C 13 63.2907 0.0000 . 1 . . 440322 . . 474 SER CB . 52228 1 2547 . 1 . 1 474 474 SER N N 15 114.5636 0.0000 . 1 . . 239552 . . 474 SER N . 52228 1 2548 . 1 . 1 475 475 PRO C C 13 177.3933 0.0000 . 1 . . 270082 . . 475 PRO C . 52228 1 2549 . 1 . 1 475 475 PRO CA C 13 63.2724 0.0000 . 1 . . 270084 . . 475 PRO CA . 52228 1 2550 . 1 . 1 475 475 PRO CB C 13 30.9528 0.0000 . 1 . . 354799 . . 475 PRO CB . 52228 1 2551 . 1 . 1 476 476 VAL H H 1 8.5235 0.0000 . 1 . . 238503 . . 476 VAL H . 52228 1 2552 . 1 . 1 476 476 VAL HG11 H 1 0.9810 0.0000 . 2 . . 454764 . . 476 VAL HG11 . 52228 1 2553 . 1 . 1 476 476 VAL HG12 H 1 0.9810 0.0000 . 2 . . 454764 . . 476 VAL HG11 . 52228 1 2554 . 1 . 1 476 476 VAL HG13 H 1 0.9810 0.0000 . 2 . . 454764 . . 476 VAL HG11 . 52228 1 2555 . 1 . 1 476 476 VAL HG21 H 1 0.7200 0.0000 . 2 . . 456661 . . 476 VAL HG21 . 52228 1 2556 . 1 . 1 476 476 VAL HG22 H 1 0.7200 0.0000 . 2 . . 456661 . . 476 VAL HG21 . 52228 1 2557 . 1 . 1 476 476 VAL HG23 H 1 0.7200 0.0000 . 2 . . 456661 . . 476 VAL HG21 . 52228 1 2558 . 1 . 1 476 476 VAL C C 13 174.3838 0.0000 . 1 . . 270078 . . 476 VAL C . 52228 1 2559 . 1 . 1 476 476 VAL CA C 13 60.3891 0.0000 . 1 . . 270081 . . 476 VAL CA . 52228 1 2560 . 1 . 1 476 476 VAL CB C 13 33.9100 0.0000 . 1 . . 319260 . . 476 VAL CB . 52228 1 2561 . 1 . 1 476 476 VAL CG1 C 13 20.8890 0.0000 . 2 . . 838488 . . 476 VAL CG1 . 52228 1 2562 . 1 . 1 476 476 VAL CG2 C 13 22.5170 0.0000 . 2 . . 838485 . . 476 VAL CG2 . 52228 1 2563 . 1 . 1 476 476 VAL N N 15 123.3085 0.0000 . 1 . . 238505 . . 476 VAL N . 52228 1 2564 . 1 . 1 477 477 THR H H 1 8.4476 0.0000 . 1 . . 238752 . . 477 THR H . 52228 1 2565 . 1 . 1 477 477 THR C C 13 174.5426 0.0000 . 1 . . 324462 . . 477 THR C . 52228 1 2566 . 1 . 1 477 477 THR CA C 13 60.9213 0.0000 . 1 . . 324468 . . 477 THR CA . 52228 1 2567 . 1 . 1 477 477 THR CB C 13 69.5648 0.0000 . 1 . . 324467 . . 477 THR CB . 52228 1 2568 . 1 . 1 477 477 THR N N 15 121.9568 0.0000 . 1 . . 238754 . . 477 THR N . 52228 1 2569 . 1 . 1 478 478 LYS H H 1 8.6482 0.0000 . 1 . . 240369 . . 478 LYS H . 52228 1 2570 . 1 . 1 478 478 LYS C C 13 174.3162 0.0000 . 1 . . 268660 . . 478 LYS C . 52228 1 2571 . 1 . 1 478 478 LYS CA C 13 52.7171 0.0000 . 1 . . 268659 . . 478 LYS CA . 52228 1 2572 . 1 . 1 478 478 LYS CB C 13 32.6594 0.0000 . 1 . . 268662 . . 478 LYS CB . 52228 1 2573 . 1 . 1 478 478 LYS N N 15 126.8244 0.0000 . 1 . . 240371 . . 478 LYS N . 52228 1 2574 . 1 . 1 479 479 SER H H 1 8.5929 0.0000 . 1 . . 256932 . . 479 SER H . 52228 1 2575 . 1 . 1 479 479 SER C C 13 173.2243 0.0000 . 1 . . 393626 . . 479 SER C . 52228 1 2576 . 1 . 1 479 479 SER CA C 13 56.5007 0.0000 . 1 . . 273686 . . 479 SER CA . 52228 1 2577 . 1 . 1 479 479 SER CB C 13 67.5019 0.0000 . 1 . . 393630 . . 479 SER CB . 52228 1 2578 . 1 . 1 479 479 SER N N 15 116.2659 0.0000 . 1 . . 256934 . . 479 SER N . 52228 1 2579 . 1 . 1 480 480 PHE H H 1 8.7545 0.0000 . 1 . . 239427 . . 480 PHE H . 52228 1 2580 . 1 . 1 480 480 PHE C C 13 171.5450 0.0000 . 1 . . 357751 . . 480 PHE C . 52228 1 2581 . 1 . 1 480 480 PHE CA C 13 56.7941 0.0000 . 1 . . 393709 . . 480 PHE CA . 52228 1 2582 . 1 . 1 480 480 PHE CB C 13 41.5023 0.0000 . 1 . . 273831 . . 480 PHE CB . 52228 1 2583 . 1 . 1 480 480 PHE N N 15 115.7970 0.0000 . 1 . . 239429 . . 480 PHE N . 52228 1 2584 . 1 . 1 481 481 ASN H H 1 8.7715 0.0000 . 1 . . 393705 . . 481 ASN H . 52228 1 2585 . 1 . 1 481 481 ASN C C 13 176.1264 0.0000 . 1 . . 357772 . . 481 ASN C . 52228 1 2586 . 1 . 1 481 481 ASN CA C 13 50.2234 0.0000 . 1 . . 357766 . . 481 ASN CA . 52228 1 2587 . 1 . 1 481 481 ASN CB C 13 38.8873 0.0000 . 1 . . 357778 . . 481 ASN CB . 52228 1 2588 . 1 . 1 481 481 ASN N N 15 118.4555 0.0000 . 1 . . 393707 . . 481 ASN N . 52228 1 2589 . 1 . 1 482 482 ARG H H 1 9.6916 0.0000 . 1 . . 238116 . . 482 ARG H . 52228 1 2590 . 1 . 1 482 482 ARG C C 13 177.0629 0.0000 . 1 . . 310650 . . 482 ARG C . 52228 1 2591 . 1 . 1 482 482 ARG CA C 13 58.5792 0.0000 . 1 . . 310654 . . 482 ARG CA . 52228 1 2592 . 1 . 1 482 482 ARG CB C 13 29.3910 0.0000 . 1 . . 310653 . . 482 ARG CB . 52228 1 2593 . 1 . 1 482 482 ARG N N 15 126.7525 0.0000 . 1 . . 238118 . . 482 ARG N . 52228 1 2594 . 1 . 1 483 483 GLY H H 1 9.0444 0.0000 . 1 . . 257718 . . 483 GLY H . 52228 1 2595 . 1 . 1 483 483 GLY C C 13 174.3335 0.0000 . 1 . . 274848 . . 483 GLY C . 52228 1 2596 . 1 . 1 483 483 GLY CA C 13 44.9654 0.0000 . 1 . . 274850 . . 483 GLY CA . 52228 1 2597 . 1 . 1 483 483 GLY N N 15 113.3411 0.0000 . 1 . . 257720 . . 483 GLY N . 52228 1 2598 . 1 . 1 484 484 GLU H H 1 7.9459 0.0000 . 1 . . 238929 . . 484 GLU H . 52228 1 2599 . 1 . 1 484 484 GLU C C 13 175.5316 0.0000 . 1 . . 854786 . . 484 GLU C . 52228 1 2600 . 1 . 1 484 484 GLU CA C 13 55.8015 0.0000 . 1 . . 354450 . . 484 GLU CA . 52228 1 2601 . 1 . 1 484 484 GLU CB C 13 30.6212 0.0000 . 1 . . 854796 . . 484 GLU CB . 52228 1 2602 . 1 . 1 484 484 GLU N N 15 120.0418 0.0000 . 1 . . 238931 . . 484 GLU N . 52228 1 2603 . 1 . 1 485 485 CYS H H 1 8.1861 0.0000 . 1 . . 250461 . . 485 CYS H . 52228 1 2604 . 1 . 1 485 485 CYS C C 13 178.8956 0.0000 . 1 . . 537560 . . 485 CYS C . 52228 1 2605 . 1 . 1 485 485 CYS CA C 13 57.6441 0.0000 . 1 . . 515813 . . 485 CYS CA . 52228 1 2606 . 1 . 1 485 485 CYS CB C 13 42.8598 0.0000 . 1 . . 515811 . . 485 CYS CB . 52228 1 2607 . 1 . 1 485 485 CYS N N 15 124.3803 0.0000 . 1 . . 250463 . . 485 CYS N . 52228 1 stop_ save_