data_19046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19046 _Entry.Title ; Sequence-specific backbone 1H, 13C and 15N assignments of the 34 kDa catalytic domain of PTPN5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-20 _Entry.Accession_date 2013-02-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dana Francis . M. . 19046 2 Rebecca Page . . . 19046 3 Wolfgang Peti . . . 19046 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brown University' . 19046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 19046 '15N chemical shifts' 212 19046 '1H chemical shifts' 212 19046 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 2 . . 2014-05-05 2013-02-20 update BMRB 'update entry citation' 19046 1 . . 2013-05-30 2013-02-20 original author 'original release' 19046 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19046 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23640000 _Citation.Full_citation . _Citation.Title 'Sequence-specific backbone 1H, 13C and 15N assignments of the 34 kDa catalytic domain of PTPN5 (STEP).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 185 _Citation.Page_last 188 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Dana Francis . M. . 19046 1 2 Rebecca Page . . . 19046 1 3 Wolfgang Peti . . . 19046 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR spectroscopy' 19046 1 PTPN5 19046 1 STEP 19046 1 tyr-Phosphatase 19046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19046 _Assembly.ID 1 _Assembly.Name 'Phosphatase domain of PTPN5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34834 _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 PTPN5 1 $PTPN5 A . yes native no no . . 'Monomeric phosphatase domain of murine PTPN5' 19046 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2BIJ . . X-ray 2.05 'Structure of the human phosphatase domain of PTPN5' . 19046 1 yes PDB 2BV5 . . X-ray 1.8 'Structure of the human phosphatase domain of PTPN5' . 19046 1 yes PDB 2CJZ . . X-ray 1.7 'Structure of the phosphatse domain of PTPN5 in complex with phosphotyrosine' . 19046 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Dephosphorylate phosphorylated tyrosine residues' 19046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTPN5 _Entity.Sf_category entity _Entity.Sf_framecode PTPN5 _Entity.Entry_ID 19046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTPN5 _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 ; GHMASSPREESAHEYLLSAS RVLRAEELHEKALDPFLLQA EFFEIPMNFVDPKEYDIPGL VRKNRYKTILPNPHSRVRLT SPDPEDPLSSYINANYIRGY SGEEKVYIATQGPIVSTVAD FWRMVWQERTPIIVMITNIE EMNEKCTEYWPEEQVVHDGV EITVQKVIHTEDYRLRLISL RRGTEERTLKHYWFTSWPDQ KTPDRAPPLLHLVREVEEAA QQEGPHCSPIIVHCSAGIGR TGCFIATSICCQQLRREGVV DILKTTCQLRQDRGGMIQTC EQYQFVHHAMSLYEKQLSHQ S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native affinity tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 301 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Protein tyrosine phosphatase domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 34834 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAC29993 . "unnamed protein product [Mus musculus]" . . . . . 98.34 541 99.32 99.66 0.00e+00 . . . . 19046 1 2 no GB AAA73574 . "protein tyrosine phosphatase STEP61 [Mus musculus]" . . . . . 98.34 541 99.66 99.66 0.00e+00 . . . . 19046 1 3 no GB AAB19491 . "striatum enriched phosphatase [Rattus norvegicus]" . . . . . 98.34 369 98.65 98.99 0.00e+00 . . . . 19046 1 4 no GB AAH51975 . "Ptpn5 protein, partial [Mus musculus]" . . . . . 98.34 581 99.32 99.66 0.00e+00 . . . . 19046 1 5 no GB AAH79592 . "Ptpn5 protein [Mus musculus]" . . . . . 98.34 541 99.32 99.66 0.00e+00 . . . . 19046 1 6 no GB AAH92196 . "Protein tyrosine phosphatase, non-receptor type 5 [Rattus norvegicus]" . . . . . 98.34 369 98.99 99.32 0.00e+00 . . . . 19046 1 7 no REF NP_001157037 . "tyrosine-protein phosphatase non-receptor type 5 [Mus musculus]" . . . . . 98.34 541 99.32 99.66 0.00e+00 . . . . 19046 1 8 no REF NP_038671 . "tyrosine-protein phosphatase non-receptor type 5 [Mus musculus]" . . . . . 98.34 541 99.32 99.66 0.00e+00 . . . . 19046 1 9 no REF NP_062126 . "tyrosine-protein phosphatase non-receptor type 5 [Rattus norvegicus]" . . . . . 98.34 369 98.65 98.99 0.00e+00 . . . . 19046 1 10 no REF XP_005087780 . "PREDICTED: tyrosine-protein phosphatase non-receptor type 5 [Mesocricetus auratus]" . . . . . 98.34 541 97.64 98.65 0.00e+00 . . . . 19046 1 11 no REF XP_006229314 . "PREDICTED: tyrosine-protein phosphatase non-receptor type 5 isoform X1 [Rattus norvegicus]" . . . . . 98.34 584 98.99 99.32 0.00e+00 . . . . 19046 1 12 no SP P35234 . "RecName: Full=Tyrosine-protein phosphatase non-receptor type 5; AltName: Full=Neural-specific protein-tyrosine phosphatase; Alt" . . . . . 98.34 369 98.65 98.99 0.00e+00 . . . . 19046 1 13 no SP P54830 . "RecName: Full=Tyrosine-protein phosphatase non-receptor type 5; AltName: Full=Neural-specific protein-tyrosine phosphatase; Alt" . . . . . 98.34 541 99.32 99.66 0.00e+00 . . . . 19046 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein tyrosine phosphatase' 19046 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 1 239 GLY . 19046 1 2 240 HIS . 19046 1 3 241 MET . 19046 1 4 242 ALA . 19046 1 5 243 SER . 19046 1 6 244 SER . 19046 1 7 245 PRO . 19046 1 8 246 ARG . 19046 1 9 247 GLU . 19046 1 10 248 GLU . 19046 1 11 249 SER . 19046 1 12 250 ALA . 19046 1 13 251 HIS . 19046 1 14 252 GLU . 19046 1 15 253 TYR . 19046 1 16 254 LEU . 19046 1 17 255 LEU . 19046 1 18 256 SER . 19046 1 19 257 ALA . 19046 1 20 258 SER . 19046 1 21 259 ARG . 19046 1 22 260 VAL . 19046 1 23 261 LEU . 19046 1 24 262 ARG . 19046 1 25 263 ALA . 19046 1 26 264 GLU . 19046 1 27 265 GLU . 19046 1 28 266 LEU . 19046 1 29 267 HIS . 19046 1 30 268 GLU . 19046 1 31 269 LYS . 19046 1 32 270 ALA . 19046 1 33 271 LEU . 19046 1 34 272 ASP . 19046 1 35 273 PRO . 19046 1 36 274 PHE . 19046 1 37 275 LEU . 19046 1 38 276 LEU . 19046 1 39 277 GLN . 19046 1 40 278 ALA . 19046 1 41 279 GLU . 19046 1 42 280 PHE . 19046 1 43 281 PHE . 19046 1 44 282 GLU . 19046 1 45 283 ILE . 19046 1 46 284 PRO . 19046 1 47 285 MET . 19046 1 48 286 ASN . 19046 1 49 287 PHE . 19046 1 50 288 VAL . 19046 1 51 289 ASP . 19046 1 52 290 PRO . 19046 1 53 291 LYS . 19046 1 54 292 GLU . 19046 1 55 293 TYR . 19046 1 56 294 ASP . 19046 1 57 295 ILE . 19046 1 58 296 PRO . 19046 1 59 297 GLY . 19046 1 60 298 LEU . 19046 1 61 299 VAL . 19046 1 62 300 ARG . 19046 1 63 301 LYS . 19046 1 64 302 ASN . 19046 1 65 303 ARG . 19046 1 66 304 TYR . 19046 1 67 305 LYS . 19046 1 68 306 THR . 19046 1 69 307 ILE . 19046 1 70 308 LEU . 19046 1 71 309 PRO . 19046 1 72 310 ASN . 19046 1 73 311 PRO . 19046 1 74 312 HIS . 19046 1 75 313 SER . 19046 1 76 314 ARG . 19046 1 77 315 VAL . 19046 1 78 316 ARG . 19046 1 79 317 LEU . 19046 1 80 318 THR . 19046 1 81 319 SER . 19046 1 82 320 PRO . 19046 1 83 321 ASP . 19046 1 84 322 PRO . 19046 1 85 323 GLU . 19046 1 86 324 ASP . 19046 1 87 325 PRO . 19046 1 88 326 LEU . 19046 1 89 327 SER . 19046 1 90 328 SER . 19046 1 91 329 TYR . 19046 1 92 330 ILE . 19046 1 93 331 ASN . 19046 1 94 332 ALA . 19046 1 95 333 ASN . 19046 1 96 334 TYR . 19046 1 97 335 ILE . 19046 1 98 336 ARG . 19046 1 99 337 GLY . 19046 1 100 338 TYR . 19046 1 101 339 SER . 19046 1 102 340 GLY . 19046 1 103 341 GLU . 19046 1 104 342 GLU . 19046 1 105 343 LYS . 19046 1 106 344 VAL . 19046 1 107 345 TYR . 19046 1 108 346 ILE . 19046 1 109 347 ALA . 19046 1 110 348 THR . 19046 1 111 349 GLN . 19046 1 112 350 GLY . 19046 1 113 351 PRO . 19046 1 114 352 ILE . 19046 1 115 353 VAL . 19046 1 116 354 SER . 19046 1 117 355 THR . 19046 1 118 356 VAL . 19046 1 119 357 ALA . 19046 1 120 358 ASP . 19046 1 121 359 PHE . 19046 1 122 360 TRP . 19046 1 123 361 ARG . 19046 1 124 362 MET . 19046 1 125 363 VAL . 19046 1 126 364 TRP . 19046 1 127 365 GLN . 19046 1 128 366 GLU . 19046 1 129 367 ARG . 19046 1 130 368 THR . 19046 1 131 369 PRO . 19046 1 132 370 ILE . 19046 1 133 371 ILE . 19046 1 134 372 VAL . 19046 1 135 373 MET . 19046 1 136 374 ILE . 19046 1 137 375 THR . 19046 1 138 376 ASN . 19046 1 139 377 ILE . 19046 1 140 378 GLU . 19046 1 141 379 GLU . 19046 1 142 380 MET . 19046 1 143 381 ASN . 19046 1 144 382 GLU . 19046 1 145 383 LYS . 19046 1 146 384 CYS . 19046 1 147 385 THR . 19046 1 148 386 GLU . 19046 1 149 387 TYR . 19046 1 150 388 TRP . 19046 1 151 389 PRO . 19046 1 152 390 GLU . 19046 1 153 391 GLU . 19046 1 154 392 GLN . 19046 1 155 393 VAL . 19046 1 156 394 VAL . 19046 1 157 395 HIS . 19046 1 158 396 ASP . 19046 1 159 397 GLY . 19046 1 160 398 VAL . 19046 1 161 399 GLU . 19046 1 162 400 ILE . 19046 1 163 401 THR . 19046 1 164 402 VAL . 19046 1 165 403 GLN . 19046 1 166 404 LYS . 19046 1 167 405 VAL . 19046 1 168 406 ILE . 19046 1 169 407 HIS . 19046 1 170 408 THR . 19046 1 171 409 GLU . 19046 1 172 410 ASP . 19046 1 173 411 TYR . 19046 1 174 412 ARG . 19046 1 175 413 LEU . 19046 1 176 414 ARG . 19046 1 177 415 LEU . 19046 1 178 416 ILE . 19046 1 179 417 SER . 19046 1 180 418 LEU . 19046 1 181 419 ARG . 19046 1 182 420 ARG . 19046 1 183 421 GLY . 19046 1 184 422 THR . 19046 1 185 423 GLU . 19046 1 186 424 GLU . 19046 1 187 425 ARG . 19046 1 188 426 THR . 19046 1 189 427 LEU . 19046 1 190 428 LYS . 19046 1 191 429 HIS . 19046 1 192 430 TYR . 19046 1 193 431 TRP . 19046 1 194 432 PHE . 19046 1 195 433 THR . 19046 1 196 434 SER . 19046 1 197 435 TRP . 19046 1 198 436 PRO . 19046 1 199 437 ASP . 19046 1 200 438 GLN . 19046 1 201 439 LYS . 19046 1 202 440 THR . 19046 1 203 441 PRO . 19046 1 204 442 ASP . 19046 1 205 443 ARG . 19046 1 206 444 ALA . 19046 1 207 445 PRO . 19046 1 208 446 PRO . 19046 1 209 447 LEU . 19046 1 210 448 LEU . 19046 1 211 449 HIS . 19046 1 212 450 LEU . 19046 1 213 451 VAL . 19046 1 214 452 ARG . 19046 1 215 453 GLU . 19046 1 216 454 VAL . 19046 1 217 455 GLU . 19046 1 218 456 GLU . 19046 1 219 457 ALA . 19046 1 220 458 ALA . 19046 1 221 459 GLN . 19046 1 222 460 GLN . 19046 1 223 461 GLU . 19046 1 224 462 GLY . 19046 1 225 463 PRO . 19046 1 226 464 HIS . 19046 1 227 465 CYS . 19046 1 228 466 SER . 19046 1 229 467 PRO . 19046 1 230 468 ILE . 19046 1 231 469 ILE . 19046 1 232 470 VAL . 19046 1 233 471 HIS . 19046 1 234 472 CYS . 19046 1 235 473 SER . 19046 1 236 474 ALA . 19046 1 237 475 GLY . 19046 1 238 476 ILE . 19046 1 239 477 GLY . 19046 1 240 478 ARG . 19046 1 241 479 THR . 19046 1 242 480 GLY . 19046 1 243 481 CYS . 19046 1 244 482 PHE . 19046 1 245 483 ILE . 19046 1 246 484 ALA . 19046 1 247 485 THR . 19046 1 248 486 SER . 19046 1 249 487 ILE . 19046 1 250 488 CYS . 19046 1 251 489 CYS . 19046 1 252 490 GLN . 19046 1 253 491 GLN . 19046 1 254 492 LEU . 19046 1 255 493 ARG . 19046 1 256 494 ARG . 19046 1 257 495 GLU . 19046 1 258 496 GLY . 19046 1 259 497 VAL . 19046 1 260 498 VAL . 19046 1 261 499 ASP . 19046 1 262 500 ILE . 19046 1 263 501 LEU . 19046 1 264 502 LYS . 19046 1 265 503 THR . 19046 1 266 504 THR . 19046 1 267 505 CYS . 19046 1 268 506 GLN . 19046 1 269 507 LEU . 19046 1 270 508 ARG . 19046 1 271 509 GLN . 19046 1 272 510 ASP . 19046 1 273 511 ARG . 19046 1 274 512 GLY . 19046 1 275 513 GLY . 19046 1 276 514 MET . 19046 1 277 515 ILE . 19046 1 278 516 GLN . 19046 1 279 517 THR . 19046 1 280 518 CYS . 19046 1 281 519 GLU . 19046 1 282 520 GLN . 19046 1 283 521 TYR . 19046 1 284 522 GLN . 19046 1 285 523 PHE . 19046 1 286 524 VAL . 19046 1 287 525 HIS . 19046 1 288 526 HIS . 19046 1 289 527 ALA . 19046 1 290 528 MET . 19046 1 291 529 SER . 19046 1 292 530 LEU . 19046 1 293 531 TYR . 19046 1 294 532 GLU . 19046 1 295 533 LYS . 19046 1 296 534 GLN . 19046 1 297 535 LEU . 19046 1 298 536 SER . 19046 1 299 537 HIS . 19046 1 300 538 GLN . 19046 1 301 539 SER . 19046 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 19046 1 . HIS 2 2 19046 1 . MET 3 3 19046 1 . ALA 4 4 19046 1 . SER 5 5 19046 1 . SER 6 6 19046 1 . PRO 7 7 19046 1 . ARG 8 8 19046 1 . GLU 9 9 19046 1 . GLU 10 10 19046 1 . SER 11 11 19046 1 . ALA 12 12 19046 1 . HIS 13 13 19046 1 . GLU 14 14 19046 1 . TYR 15 15 19046 1 . LEU 16 16 19046 1 . LEU 17 17 19046 1 . SER 18 18 19046 1 . ALA 19 19 19046 1 . SER 20 20 19046 1 . ARG 21 21 19046 1 . VAL 22 22 19046 1 . LEU 23 23 19046 1 . ARG 24 24 19046 1 . ALA 25 25 19046 1 . GLU 26 26 19046 1 . GLU 27 27 19046 1 . LEU 28 28 19046 1 . HIS 29 29 19046 1 . GLU 30 30 19046 1 . LYS 31 31 19046 1 . ALA 32 32 19046 1 . LEU 33 33 19046 1 . ASP 34 34 19046 1 . PRO 35 35 19046 1 . PHE 36 36 19046 1 . LEU 37 37 19046 1 . LEU 38 38 19046 1 . GLN 39 39 19046 1 . ALA 40 40 19046 1 . GLU 41 41 19046 1 . PHE 42 42 19046 1 . PHE 43 43 19046 1 . GLU 44 44 19046 1 . ILE 45 45 19046 1 . PRO 46 46 19046 1 . MET 47 47 19046 1 . ASN 48 48 19046 1 . PHE 49 49 19046 1 . VAL 50 50 19046 1 . ASP 51 51 19046 1 . PRO 52 52 19046 1 . LYS 53 53 19046 1 . GLU 54 54 19046 1 . TYR 55 55 19046 1 . ASP 56 56 19046 1 . ILE 57 57 19046 1 . PRO 58 58 19046 1 . GLY 59 59 19046 1 . LEU 60 60 19046 1 . VAL 61 61 19046 1 . ARG 62 62 19046 1 . LYS 63 63 19046 1 . ASN 64 64 19046 1 . ARG 65 65 19046 1 . TYR 66 66 19046 1 . LYS 67 67 19046 1 . THR 68 68 19046 1 . ILE 69 69 19046 1 . LEU 70 70 19046 1 . PRO 71 71 19046 1 . ASN 72 72 19046 1 . PRO 73 73 19046 1 . HIS 74 74 19046 1 . SER 75 75 19046 1 . ARG 76 76 19046 1 . VAL 77 77 19046 1 . ARG 78 78 19046 1 . LEU 79 79 19046 1 . THR 80 80 19046 1 . SER 81 81 19046 1 . PRO 82 82 19046 1 . ASP 83 83 19046 1 . PRO 84 84 19046 1 . GLU 85 85 19046 1 . ASP 86 86 19046 1 . PRO 87 87 19046 1 . LEU 88 88 19046 1 . SER 89 89 19046 1 . SER 90 90 19046 1 . TYR 91 91 19046 1 . ILE 92 92 19046 1 . ASN 93 93 19046 1 . ALA 94 94 19046 1 . ASN 95 95 19046 1 . TYR 96 96 19046 1 . ILE 97 97 19046 1 . ARG 98 98 19046 1 . GLY 99 99 19046 1 . TYR 100 100 19046 1 . SER 101 101 19046 1 . GLY 102 102 19046 1 . GLU 103 103 19046 1 . GLU 104 104 19046 1 . LYS 105 105 19046 1 . VAL 106 106 19046 1 . TYR 107 107 19046 1 . ILE 108 108 19046 1 . ALA 109 109 19046 1 . THR 110 110 19046 1 . GLN 111 111 19046 1 . GLY 112 112 19046 1 . PRO 113 113 19046 1 . ILE 114 114 19046 1 . VAL 115 115 19046 1 . SER 116 116 19046 1 . THR 117 117 19046 1 . VAL 118 118 19046 1 . ALA 119 119 19046 1 . ASP 120 120 19046 1 . PHE 121 121 19046 1 . TRP 122 122 19046 1 . ARG 123 123 19046 1 . MET 124 124 19046 1 . VAL 125 125 19046 1 . TRP 126 126 19046 1 . GLN 127 127 19046 1 . GLU 128 128 19046 1 . ARG 129 129 19046 1 . THR 130 130 19046 1 . PRO 131 131 19046 1 . ILE 132 132 19046 1 . ILE 133 133 19046 1 . VAL 134 134 19046 1 . MET 135 135 19046 1 . ILE 136 136 19046 1 . THR 137 137 19046 1 . ASN 138 138 19046 1 . ILE 139 139 19046 1 . GLU 140 140 19046 1 . GLU 141 141 19046 1 . MET 142 142 19046 1 . ASN 143 143 19046 1 . GLU 144 144 19046 1 . LYS 145 145 19046 1 . CYS 146 146 19046 1 . THR 147 147 19046 1 . GLU 148 148 19046 1 . TYR 149 149 19046 1 . TRP 150 150 19046 1 . PRO 151 151 19046 1 . GLU 152 152 19046 1 . GLU 153 153 19046 1 . GLN 154 154 19046 1 . VAL 155 155 19046 1 . VAL 156 156 19046 1 . HIS 157 157 19046 1 . ASP 158 158 19046 1 . GLY 159 159 19046 1 . VAL 160 160 19046 1 . GLU 161 161 19046 1 . ILE 162 162 19046 1 . THR 163 163 19046 1 . VAL 164 164 19046 1 . GLN 165 165 19046 1 . LYS 166 166 19046 1 . VAL 167 167 19046 1 . ILE 168 168 19046 1 . HIS 169 169 19046 1 . THR 170 170 19046 1 . GLU 171 171 19046 1 . ASP 172 172 19046 1 . TYR 173 173 19046 1 . ARG 174 174 19046 1 . LEU 175 175 19046 1 . ARG 176 176 19046 1 . LEU 177 177 19046 1 . ILE 178 178 19046 1 . SER 179 179 19046 1 . LEU 180 180 19046 1 . ARG 181 181 19046 1 . ARG 182 182 19046 1 . GLY 183 183 19046 1 . THR 184 184 19046 1 . GLU 185 185 19046 1 . GLU 186 186 19046 1 . ARG 187 187 19046 1 . THR 188 188 19046 1 . LEU 189 189 19046 1 . LYS 190 190 19046 1 . HIS 191 191 19046 1 . TYR 192 192 19046 1 . TRP 193 193 19046 1 . PHE 194 194 19046 1 . THR 195 195 19046 1 . SER 196 196 19046 1 . TRP 197 197 19046 1 . PRO 198 198 19046 1 . ASP 199 199 19046 1 . GLN 200 200 19046 1 . LYS 201 201 19046 1 . THR 202 202 19046 1 . PRO 203 203 19046 1 . ASP 204 204 19046 1 . ARG 205 205 19046 1 . ALA 206 206 19046 1 . PRO 207 207 19046 1 . PRO 208 208 19046 1 . LEU 209 209 19046 1 . LEU 210 210 19046 1 . HIS 211 211 19046 1 . LEU 212 212 19046 1 . VAL 213 213 19046 1 . ARG 214 214 19046 1 . GLU 215 215 19046 1 . VAL 216 216 19046 1 . GLU 217 217 19046 1 . GLU 218 218 19046 1 . ALA 219 219 19046 1 . ALA 220 220 19046 1 . GLN 221 221 19046 1 . GLN 222 222 19046 1 . GLU 223 223 19046 1 . GLY 224 224 19046 1 . PRO 225 225 19046 1 . HIS 226 226 19046 1 . CYS 227 227 19046 1 . SER 228 228 19046 1 . PRO 229 229 19046 1 . ILE 230 230 19046 1 . ILE 231 231 19046 1 . VAL 232 232 19046 1 . HIS 233 233 19046 1 . CYS 234 234 19046 1 . SER 235 235 19046 1 . ALA 236 236 19046 1 . GLY 237 237 19046 1 . ILE 238 238 19046 1 . GLY 239 239 19046 1 . ARG 240 240 19046 1 . THR 241 241 19046 1 . GLY 242 242 19046 1 . CYS 243 243 19046 1 . PHE 244 244 19046 1 . ILE 245 245 19046 1 . ALA 246 246 19046 1 . THR 247 247 19046 1 . SER 248 248 19046 1 . ILE 249 249 19046 1 . CYS 250 250 19046 1 . CYS 251 251 19046 1 . GLN 252 252 19046 1 . GLN 253 253 19046 1 . LEU 254 254 19046 1 . ARG 255 255 19046 1 . ARG 256 256 19046 1 . GLU 257 257 19046 1 . GLY 258 258 19046 1 . VAL 259 259 19046 1 . VAL 260 260 19046 1 . ASP 261 261 19046 1 . ILE 262 262 19046 1 . LEU 263 263 19046 1 . LYS 264 264 19046 1 . THR 265 265 19046 1 . THR 266 266 19046 1 . CYS 267 267 19046 1 . GLN 268 268 19046 1 . LEU 269 269 19046 1 . ARG 270 270 19046 1 . GLN 271 271 19046 1 . ASP 272 272 19046 1 . ARG 273 273 19046 1 . GLY 274 274 19046 1 . GLY 275 275 19046 1 . MET 276 276 19046 1 . ILE 277 277 19046 1 . GLN 278 278 19046 1 . THR 279 279 19046 1 . CYS 280 280 19046 1 . GLU 281 281 19046 1 . GLN 282 282 19046 1 . TYR 283 283 19046 1 . GLN 284 284 19046 1 . PHE 285 285 19046 1 . VAL 286 286 19046 1 . HIS 287 287 19046 1 . HIS 288 288 19046 1 . ALA 289 289 19046 1 . MET 290 290 19046 1 . SER 291 291 19046 1 . LEU 292 292 19046 1 . TYR 293 293 19046 1 . GLU 294 294 19046 1 . LYS 295 295 19046 1 . GLN 296 296 19046 1 . LEU 297 297 19046 1 . SER 298 298 19046 1 . HIS 299 299 19046 1 . GLN 300 300 19046 1 . SER 301 301 19046 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19046 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PTPN5 . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 19046 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19046 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PTPN5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pet28a derivative' . . . 'derivative of the pET28a vector which includes an N-terminal hexahistidine tag and a Tobacco Etch Virus protease recognition sequence' . . 19046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19046 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 '[U-13C; U-15N; U-2H]' . . 1 $PTPN5 . . 0.4 . . mM . . . . 19046 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19046 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 [U-15N]-Leu . . 1 $PTPN5 . . 0.3 . . mM . . . . 19046 2 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19046 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 [U-15N]-Tyr . . 1 $PTPN5 . . 0.3 . . mM . . . . 19046 3 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 3 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19046 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 [U-15N]-Phe . . 1 $PTPN5 . . 0.3 . . mM . . . . 19046 4 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 4 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19046 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 [U-15N]-Glu . . 1 $PTPN5 . . 0.3 . . mM . . . . 19046 5 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 5 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19046 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 [U-15N]-Asp . . 1 $PTPN5 . . 0.3 . . mM . . . . 19046 6 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 6 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 6 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19046 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PTPN5 [U-15N]-Val . . 1 $PTPN5 . . 0.3 . . mM . . . . 19046 7 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19046 7 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19046 7 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19046 7 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19046 7 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19046 7 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 19046 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 19046 1 pH 6.8 . pH 19046 1 pressure 1 . atm 19046 1 temperature 298 . K 19046 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19046 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0/3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19046 1 processing 19046 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19046 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19046 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19046 2 'peak picking' 19046 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19046 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19046 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19046 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19046 1 2 spectrometer_2 Bruker Avance . 500 . . . 19046 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19046 _Experiment_list.ID 1 _Experiment_list.Details 'All experiments were implemented as TROSY-type experiments.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19046 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19046 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19046 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19046 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19046 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19046 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19046 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19046 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19046 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19046 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19046 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19046 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19046 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19046 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19046 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19046 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19046 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19046 1 2 '3D HNCA' . . . 19046 1 3 '3D HNCACB' . . . 19046 1 4 '3D HN(CO)CA' . . . 19046 1 5 '3D HN(COCA)CB' . . . 19046 1 6 '3D 1H-15N NOESY' . . . 19046 1 7 '2D 1H-15N HSQC' . . . 19046 1 8 '2D 1H-15N HSQC' . . . 19046 1 9 '2D 1H-15N HSQC' . . . 19046 1 10 '2D 1H-15N HSQC' . . . 19046 1 11 '2D 1H-15N HSQC' . . . 19046 1 12 '2D 1H-15N HSQC' . . . 19046 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 MET CA C 13 55.724 0.273 . 1 . . . . 241 MET CA . 19046 1 2 . 1 1 3 3 MET CB C 13 32.804 0.273 . 1 . . . . 241 MET CB . 19046 1 3 . 1 1 4 4 ALA H H 1 8.346 0.006 . 1 . . . . 242 ALA H . 19046 1 4 . 1 1 4 4 ALA CA C 13 52.907 0.273 . 1 . . . . 242 ALA CA . 19046 1 5 . 1 1 4 4 ALA CB C 13 19.185 0.273 . 1 . . . . 242 ALA CB . 19046 1 6 . 1 1 4 4 ALA N N 15 126.278 0.066 . 1 . . . . 242 ALA N . 19046 1 7 . 1 1 5 5 SER H H 1 8.219 0.006 . 1 . . . . 243 SER H . 19046 1 8 . 1 1 5 5 SER CA C 13 58.570 0.273 . 1 . . . . 243 SER CA . 19046 1 9 . 1 1 5 5 SER CB C 13 64.105 0.273 . 1 . . . . 243 SER CB . 19046 1 10 . 1 1 5 5 SER N N 15 115.639 0.066 . 1 . . . . 243 SER N . 19046 1 11 . 1 1 6 6 SER H H 1 8.214 0.006 . 1 . . . . 244 SER H . 19046 1 12 . 1 1 6 6 SER CA C 13 56.880 0.273 . 1 . . . . 244 SER CA . 19046 1 13 . 1 1 6 6 SER CB C 13 63.732 0.273 . 1 . . . . 244 SER CB . 19046 1 14 . 1 1 6 6 SER N N 15 119.153 0.066 . 1 . . . . 244 SER N . 19046 1 15 . 1 1 7 7 PRO CA C 13 64.279 0.273 . 1 . . . . 245 PRO CA . 19046 1 16 . 1 1 7 7 PRO CB C 13 31.964 0.273 . 1 . . . . 245 PRO CB . 19046 1 17 . 1 1 8 8 ARG H H 1 8.264 0.006 . 1 . . . . 246 ARG H . 19046 1 18 . 1 1 8 8 ARG CA C 13 57.206 0.273 . 1 . . . . 246 ARG CA . 19046 1 19 . 1 1 8 8 ARG CB C 13 30.348 0.273 . 1 . . . . 246 ARG CB . 19046 1 20 . 1 1 8 8 ARG N N 15 121.028 0.066 . 1 . . . . 246 ARG N . 19046 1 21 . 1 1 9 9 GLU H H 1 8.324 0.006 . 1 . . . . 247 GLU H . 19046 1 22 . 1 1 9 9 GLU CA C 13 57.769 0.273 . 1 . . . . 247 GLU CA . 19046 1 23 . 1 1 9 9 GLU CB C 13 29.974 0.273 . 1 . . . . 247 GLU CB . 19046 1 24 . 1 1 9 9 GLU N N 15 122.450 0.066 . 1 . . . . 247 GLU N . 19046 1 25 . 1 1 10 10 GLU H H 1 8.426 0.006 . 1 . . . . 248 GLU H . 19046 1 26 . 1 1 10 10 GLU CA C 13 57.977 0.273 . 1 . . . . 248 GLU CA . 19046 1 27 . 1 1 10 10 GLU CB C 13 29.901 0.273 . 1 . . . . 248 GLU CB . 19046 1 28 . 1 1 10 10 GLU N N 15 122.141 0.066 . 1 . . . . 248 GLU N . 19046 1 29 . 1 1 11 11 SER H H 1 8.270 0.006 . 1 . . . . 249 SER H . 19046 1 30 . 1 1 11 11 SER CA C 13 59.756 0.273 . 1 . . . . 249 SER CA . 19046 1 31 . 1 1 11 11 SER CB C 13 63.723 0.273 . 1 . . . . 249 SER CB . 19046 1 32 . 1 1 11 11 SER N N 15 116.950 0.066 . 1 . . . . 249 SER N . 19046 1 33 . 1 1 12 12 ALA H H 1 8.204 0.006 . 1 . . . . 250 ALA H . 19046 1 34 . 1 1 12 12 ALA CA C 13 55.042 0.273 . 1 . . . . 250 ALA CA . 19046 1 35 . 1 1 12 12 ALA CB C 13 18.515 0.273 . 1 . . . . 250 ALA CB . 19046 1 36 . 1 1 12 12 ALA N N 15 126.342 0.066 . 1 . . . . 250 ALA N . 19046 1 37 . 1 1 13 13 HIS H H 1 8.063 0.006 . 1 . . . . 251 HIS H . 19046 1 38 . 1 1 13 13 HIS CA C 13 59.519 0.273 . 1 . . . . 251 HIS CA . 19046 1 39 . 1 1 13 13 HIS CB C 13 29.725 0.273 . 1 . . . . 251 HIS CB . 19046 1 40 . 1 1 13 13 HIS N N 15 117.017 0.066 . 1 . . . . 251 HIS N . 19046 1 41 . 1 1 14 14 GLU H H 1 7.943 0.006 . 1 . . . . 252 GLU H . 19046 1 42 . 1 1 14 14 GLU CA C 13 59.400 0.273 . 1 . . . . 252 GLU CA . 19046 1 43 . 1 1 14 14 GLU CB C 13 29.232 0.273 . 1 . . . . 252 GLU CB . 19046 1 44 . 1 1 14 14 GLU N N 15 118.850 0.066 . 1 . . . . 252 GLU N . 19046 1 45 . 1 1 15 15 TYR H H 1 8.252 0.006 . 1 . . . . 253 TYR H . 19046 1 46 . 1 1 15 15 TYR CA C 13 62.336 0.273 . 1 . . . . 253 TYR CA . 19046 1 47 . 1 1 15 15 TYR CB C 13 38.683 0.273 . 1 . . . . 253 TYR CB . 19046 1 48 . 1 1 15 15 TYR N N 15 122.855 0.066 . 1 . . . . 253 TYR N . 19046 1 49 . 1 1 16 16 LEU H H 1 8.060 0.006 . 1 . . . . 254 LEU H . 19046 1 50 . 1 1 16 16 LEU CA C 13 57.769 0.273 . 1 . . . . 254 LEU CA . 19046 1 51 . 1 1 16 16 LEU CB C 13 41.771 0.273 . 1 . . . . 254 LEU CB . 19046 1 52 . 1 1 16 16 LEU N N 15 116.678 0.066 . 1 . . . . 254 LEU N . 19046 1 53 . 1 1 17 17 LEU H H 1 7.342 0.006 . 1 . . . . 255 LEU H . 19046 1 54 . 1 1 17 17 LEU CA C 13 56.554 0.273 . 1 . . . . 255 LEU CA . 19046 1 55 . 1 1 17 17 LEU CB C 13 42.355 0.273 . 1 . . . . 255 LEU CB . 19046 1 56 . 1 1 17 17 LEU N N 15 115.687 0.066 . 1 . . . . 255 LEU N . 19046 1 57 . 1 1 18 18 SER H H 1 7.333 0.006 . 1 . . . . 256 SER H . 19046 1 58 . 1 1 18 18 SER CA C 13 58.985 0.273 . 1 . . . . 256 SER CA . 19046 1 59 . 1 1 18 18 SER CB C 13 65.771 0.273 . 1 . . . . 256 SER CB . 19046 1 60 . 1 1 18 18 SER N N 15 112.050 0.066 . 1 . . . . 256 SER N . 19046 1 61 . 1 1 19 19 ALA H H 1 7.716 0.006 . 1 . . . . 257 ALA H . 19046 1 62 . 1 1 19 19 ALA CA C 13 54.613 0.273 . 1 . . . . 257 ALA CA . 19046 1 63 . 1 1 19 19 ALA CB C 13 18.739 0.273 . 1 . . . . 257 ALA CB . 19046 1 64 . 1 1 19 19 ALA N N 15 128.383 0.066 . 1 . . . . 257 ALA N . 19046 1 65 . 1 1 20 20 SER H H 1 7.509 0.006 . 1 . . . . 258 SER H . 19046 1 66 . 1 1 20 20 SER CA C 13 57.436 0.273 . 1 . . . . 258 SER CA . 19046 1 67 . 1 1 20 20 SER CB C 13 64.506 0.273 . 1 . . . . 258 SER CB . 19046 1 68 . 1 1 20 20 SER N N 15 113.973 0.066 . 1 . . . . 258 SER N . 19046 1 69 . 1 1 21 21 ARG H H 1 10.064 0.006 . 1 . . . . 259 ARG H . 19046 1 70 . 1 1 21 21 ARG CA C 13 55.325 0.273 . 1 . . . . 259 ARG CA . 19046 1 71 . 1 1 21 21 ARG CB C 13 30.646 0.273 . 1 . . . . 259 ARG CB . 19046 1 72 . 1 1 21 21 ARG N N 15 133.817 0.066 . 1 . . . . 259 ARG N . 19046 1 73 . 1 1 22 22 VAL H H 1 8.466 0.006 . 1 . . . . 260 VAL H . 19046 1 74 . 1 1 22 22 VAL CA C 13 65.034 0.273 . 1 . . . . 260 VAL CA . 19046 1 75 . 1 1 22 22 VAL CB C 13 30.915 0.273 . 1 . . . . 260 VAL CB . 19046 1 76 . 1 1 22 22 VAL N N 15 128.127 0.066 . 1 . . . . 260 VAL N . 19046 1 77 . 1 1 23 23 LEU H H 1 9.175 0.006 . 1 . . . . 261 LEU H . 19046 1 78 . 1 1 23 23 LEU CA C 13 53.974 0.273 . 1 . . . . 261 LEU CA . 19046 1 79 . 1 1 23 23 LEU CB C 13 43.966 0.273 . 1 . . . . 261 LEU CB . 19046 1 80 . 1 1 23 23 LEU N N 15 129.558 0.066 . 1 . . . . 261 LEU N . 19046 1 81 . 1 1 24 24 ARG H H 1 8.540 0.006 . 1 . . . . 262 ARG H . 19046 1 82 . 1 1 24 24 ARG CA C 13 55.694 0.273 . 1 . . . . 262 ARG CA . 19046 1 83 . 1 1 24 24 ARG CB C 13 31.241 0.273 . 1 . . . . 262 ARG CB . 19046 1 84 . 1 1 24 24 ARG N N 15 121.386 0.066 . 1 . . . . 262 ARG N . 19046 1 85 . 1 1 25 25 ALA H H 1 8.816 0.006 . 1 . . . . 263 ALA H . 19046 1 86 . 1 1 25 25 ALA CA C 13 56.791 0.273 . 1 . . . . 263 ALA CA . 19046 1 87 . 1 1 25 25 ALA CB C 13 18.441 0.273 . 1 . . . . 263 ALA CB . 19046 1 88 . 1 1 25 25 ALA N N 15 125.015 0.066 . 1 . . . . 263 ALA N . 19046 1 89 . 1 1 26 26 GLU H H 1 8.933 0.006 . 1 . . . . 264 GLU H . 19046 1 90 . 1 1 26 26 GLU CA C 13 60.182 0.273 . 1 . . . . 264 GLU CA . 19046 1 91 . 1 1 26 26 GLU CB C 13 28.606 0.273 . 1 . . . . 264 GLU CB . 19046 1 92 . 1 1 26 26 GLU N N 15 114.559 0.066 . 1 . . . . 264 GLU N . 19046 1 93 . 1 1 27 27 GLU H H 1 7.284 0.006 . 1 . . . . 265 GLU H . 19046 1 94 . 1 1 27 27 GLU CA C 13 58.629 0.273 . 1 . . . . 265 GLU CA . 19046 1 95 . 1 1 27 27 GLU CB C 13 30.497 0.273 . 1 . . . . 265 GLU CB . 19046 1 96 . 1 1 27 27 GLU N N 15 118.342 0.066 . 1 . . . . 265 GLU N . 19046 1 97 . 1 1 28 28 LEU H H 1 8.008 0.006 . 1 . . . . 266 LEU H . 19046 1 98 . 1 1 28 28 LEU CA C 13 58.600 0.273 . 1 . . . . 266 LEU CA . 19046 1 99 . 1 1 28 28 LEU CB C 13 40.915 0.273 . 1 . . . . 266 LEU CB . 19046 1 100 . 1 1 28 28 LEU N N 15 121.971 0.066 . 1 . . . . 266 LEU N . 19046 1 101 . 1 1 29 29 HIS H H 1 7.729 0.006 . 1 . . . . 267 HIS H . 19046 1 102 . 1 1 29 29 HIS CA C 13 58.956 0.273 . 1 . . . . 267 HIS CA . 19046 1 103 . 1 1 29 29 HIS CB C 13 30.199 0.273 . 1 . . . . 267 HIS CB . 19046 1 104 . 1 1 29 29 HIS N N 15 115.681 0.066 . 1 . . . . 267 HIS N . 19046 1 105 . 1 1 30 30 GLU H H 1 7.429 0.006 . 1 . . . . 268 GLU H . 19046 1 106 . 1 1 30 30 GLU CA C 13 58.985 0.273 . 1 . . . . 268 GLU CA . 19046 1 107 . 1 1 30 30 GLU CB C 13 30.125 0.273 . 1 . . . . 268 GLU CB . 19046 1 108 . 1 1 30 30 GLU N N 15 116.120 0.066 . 1 . . . . 268 GLU N . 19046 1 109 . 1 1 31 31 LYS H H 1 8.456 0.006 . 1 . . . . 269 LYS H . 19046 1 110 . 1 1 31 31 LYS CA C 13 58.984 0.273 . 1 . . . . 269 LYS CA . 19046 1 111 . 1 1 31 31 LYS CB C 13 33.250 0.273 . 1 . . . . 269 LYS CB . 19046 1 112 . 1 1 31 31 LYS N N 15 122.712 0.066 . 1 . . . . 269 LYS N . 19046 1 113 . 1 1 32 32 ALA H H 1 7.747 0.006 . 1 . . . . 270 ALA H . 19046 1 114 . 1 1 32 32 ALA CA C 13 54.715 0.273 . 1 . . . . 270 ALA CA . 19046 1 115 . 1 1 32 32 ALA CB C 13 18.218 0.273 . 1 . . . . 270 ALA CB . 19046 1 116 . 1 1 32 32 ALA N N 15 115.393 0.066 . 1 . . . . 270 ALA N . 19046 1 117 . 1 1 33 33 LEU CA C 13 53.945 0.273 . 1 . . . . 271 LEU CA . 19046 1 118 . 1 1 33 33 LEU CB C 13 42.255 0.273 . 1 . . . . 271 LEU CB . 19046 1 119 . 1 1 34 34 ASP H H 1 7.455 0.006 . 1 . . . . 272 ASP H . 19046 1 120 . 1 1 34 34 ASP CA C 13 51.036 0.273 . 1 . . . . 272 ASP CA . 19046 1 121 . 1 1 34 34 ASP CB C 13 41.883 0.273 . 1 . . . . 272 ASP CB . 19046 1 122 . 1 1 34 34 ASP N N 15 121.243 0.066 . 1 . . . . 272 ASP N . 19046 1 123 . 1 1 35 35 PRO CA C 13 65.064 0.273 . 1 . . . . 273 PRO CA . 19046 1 124 . 1 1 35 35 PRO CB C 13 31.315 0.273 . 1 . . . . 273 PRO CB . 19046 1 125 . 1 1 36 36 PHE H H 1 7.879 0.006 . 1 . . . . 274 PHE H . 19046 1 126 . 1 1 36 36 PHE CA C 13 61.446 0.273 . 1 . . . . 274 PHE CA . 19046 1 127 . 1 1 36 36 PHE CB C 13 38.227 0.273 . 1 . . . . 274 PHE CB . 19046 1 128 . 1 1 36 36 PHE N N 15 119.372 0.066 . 1 . . . . 274 PHE N . 19046 1 129 . 1 1 37 37 LEU H H 1 7.743 0.006 . 1 . . . . 275 LEU H . 19046 1 130 . 1 1 37 37 LEU CA C 13 57.659 0.273 . 1 . . . . 275 LEU CA . 19046 1 131 . 1 1 37 37 LEU CB C 13 42.106 0.273 . 1 . . . . 275 LEU CB . 19046 1 132 . 1 1 37 37 LEU N N 15 122.752 0.066 . 1 . . . . 275 LEU N . 19046 1 133 . 1 1 38 38 LEU H H 1 7.764 0.006 . 1 . . . . 276 LEU H . 19046 1 134 . 1 1 38 38 LEU CA C 13 58.451 0.273 . 1 . . . . 276 LEU CA . 19046 1 135 . 1 1 38 38 LEU CB C 13 42.133 0.273 . 1 . . . . 276 LEU CB . 19046 1 136 . 1 1 38 38 LEU N N 15 118.128 0.066 . 1 . . . . 276 LEU N . 19046 1 137 . 1 1 39 39 GLN H H 1 8.039 0.006 . 1 . . . . 277 GLN H . 19046 1 138 . 1 1 39 39 GLN CA C 13 59.786 0.273 . 1 . . . . 277 GLN CA . 19046 1 139 . 1 1 39 39 GLN CB C 13 28.115 0.273 . 1 . . . . 277 GLN CB . 19046 1 140 . 1 1 39 39 GLN N N 15 118.728 0.066 . 1 . . . . 277 GLN N . 19046 1 141 . 1 1 40 40 ALA H H 1 7.374 0.006 . 1 . . . . 278 ALA H . 19046 1 142 . 1 1 40 40 ALA CA C 13 55.190 0.273 . 1 . . . . 278 ALA CA . 19046 1 143 . 1 1 40 40 ALA CB C 13 17.920 0.273 . 1 . . . . 278 ALA CB . 19046 1 144 . 1 1 40 40 ALA N N 15 121.401 0.066 . 1 . . . . 278 ALA N . 19046 1 145 . 1 1 41 41 GLU H H 1 7.639 0.006 . 1 . . . . 279 GLU H . 19046 1 146 . 1 1 41 41 GLU CA C 13 59.282 0.273 . 1 . . . . 279 GLU CA . 19046 1 147 . 1 1 41 41 GLU CB C 13 32.107 0.273 . 1 . . . . 279 GLU CB . 19046 1 148 . 1 1 41 41 GLU N N 15 118.161 0.066 . 1 . . . . 279 GLU N . 19046 1 149 . 1 1 42 42 PHE H H 1 8.573 0.006 . 1 . . . . 280 PHE H . 19046 1 150 . 1 1 42 42 PHE CA C 13 61.594 0.273 . 1 . . . . 280 PHE CA . 19046 1 151 . 1 1 42 42 PHE CB C 13 39.736 0.273 . 1 . . . . 280 PHE CB . 19046 1 152 . 1 1 42 42 PHE N N 15 118.692 0.066 . 1 . . . . 280 PHE N . 19046 1 153 . 1 1 43 43 PHE H H 1 8.165 0.006 . 1 . . . . 281 PHE H . 19046 1 154 . 1 1 43 43 PHE CA C 13 60.152 0.273 . 1 . . . . 281 PHE CA . 19046 1 155 . 1 1 43 43 PHE CB C 13 38.152 0.273 . 1 . . . . 281 PHE CB . 19046 1 156 . 1 1 43 43 PHE N N 15 115.726 0.066 . 1 . . . . 281 PHE N . 19046 1 157 . 1 1 44 44 GLU H H 1 6.966 0.006 . 1 . . . . 282 GLU H . 19046 1 158 . 1 1 44 44 GLU CA C 13 57.147 0.273 . 1 . . . . 282 GLU CA . 19046 1 159 . 1 1 44 44 GLU CB C 13 30.309 0.273 . 1 . . . . 282 GLU CB . 19046 1 160 . 1 1 44 44 GLU N N 15 116.747 0.066 . 1 . . . . 282 GLU N . 19046 1 161 . 1 1 45 45 ILE H H 1 6.959 0.006 . 1 . . . . 283 ILE H . 19046 1 162 . 1 1 45 45 ILE CA C 13 60.319 0.273 . 1 . . . . 283 ILE CA . 19046 1 163 . 1 1 45 45 ILE CB C 13 38.683 0.273 . 1 . . . . 283 ILE CB . 19046 1 164 . 1 1 45 45 ILE N N 15 119.167 0.066 . 1 . . . . 283 ILE N . 19046 1 165 . 1 1 46 46 PRO CA C 13 63.338 0.273 . 1 . . . . 284 PRO CA . 19046 1 166 . 1 1 46 46 PRO CB C 13 32.059 0.273 . 1 . . . . 284 PRO CB . 19046 1 167 . 1 1 47 47 MET H H 1 8.670 0.006 . 1 . . . . 285 MET H . 19046 1 168 . 1 1 47 47 MET CA C 13 57.354 0.273 . 1 . . . . 285 MET CA . 19046 1 169 . 1 1 47 47 MET CB C 13 32.283 0.273 . 1 . . . . 285 MET CB . 19046 1 170 . 1 1 47 47 MET N N 15 122.091 0.066 . 1 . . . . 285 MET N . 19046 1 171 . 1 1 48 48 ASN H H 1 8.383 0.006 . 1 . . . . 286 ASN H . 19046 1 172 . 1 1 48 48 ASN CA C 13 53.796 0.273 . 1 . . . . 286 ASN CA . 19046 1 173 . 1 1 48 48 ASN CB C 13 38.906 0.273 . 1 . . . . 286 ASN CB . 19046 1 174 . 1 1 48 48 ASN N N 15 114.421 0.066 . 1 . . . . 286 ASN N . 19046 1 175 . 1 1 49 49 PHE H H 1 7.512 0.006 . 1 . . . . 287 PHE H . 19046 1 176 . 1 1 49 49 PHE CA C 13 57.659 0.273 . 1 . . . . 287 PHE CA . 19046 1 177 . 1 1 49 49 PHE CB C 13 39.055 0.273 . 1 . . . . 287 PHE CB . 19046 1 178 . 1 1 49 49 PHE N N 15 114.115 0.066 . 1 . . . . 287 PHE N . 19046 1 179 . 1 1 50 50 VAL H H 1 8.961 0.006 . 1 . . . . 288 VAL H . 19046 1 180 . 1 1 50 50 VAL CA C 13 61.239 0.273 . 1 . . . . 288 VAL CA . 19046 1 181 . 1 1 50 50 VAL CB C 13 33.325 0.273 . 1 . . . . 288 VAL CB . 19046 1 182 . 1 1 50 50 VAL N N 15 123.082 0.066 . 1 . . . . 288 VAL N . 19046 1 183 . 1 1 51 51 ASP H H 1 8.673 0.006 . 1 . . . . 289 ASP H . 19046 1 184 . 1 1 51 51 ASP CA C 13 52.664 0.273 . 1 . . . . 289 ASP CA . 19046 1 185 . 1 1 51 51 ASP CB C 13 42.627 0.273 . 1 . . . . 289 ASP CB . 19046 1 186 . 1 1 51 51 ASP N N 15 128.773 0.066 . 1 . . . . 289 ASP N . 19046 1 187 . 1 1 52 52 PRO CA C 13 60.023 0.273 . 1 . . . . 290 PRO CA . 19046 1 188 . 1 1 52 52 PRO CB C 13 29.729 0.273 . 1 . . . . 290 PRO CB . 19046 1 189 . 1 1 53 53 LYS H H 1 8.200 0.006 . 1 . . . . 291 LYS H . 19046 1 190 . 1 1 53 53 LYS CA C 13 55.931 0.273 . 1 . . . . 291 LYS CA . 19046 1 191 . 1 1 53 53 LYS CB C 13 29.157 0.273 . 1 . . . . 291 LYS CB . 19046 1 192 . 1 1 53 53 LYS N N 15 113.830 0.066 . 1 . . . . 291 LYS N . 19046 1 193 . 1 1 54 54 GLU H H 1 7.293 0.006 . 1 . . . . 292 GLU H . 19046 1 194 . 1 1 54 54 GLU CA C 13 58.362 0.273 . 1 . . . . 292 GLU CA . 19046 1 195 . 1 1 54 54 GLU CB C 13 29.498 0.273 . 1 . . . . 292 GLU CB . 19046 1 196 . 1 1 54 54 GLU N N 15 115.421 0.066 . 1 . . . . 292 GLU N . 19046 1 197 . 1 1 55 55 TYR H H 1 7.360 0.006 . 1 . . . . 293 TYR H . 19046 1 198 . 1 1 55 55 TYR CA C 13 56.761 0.273 . 1 . . . . 293 TYR CA . 19046 1 199 . 1 1 55 55 TYR CB C 13 39.780 0.273 . 1 . . . . 293 TYR CB . 19046 1 200 . 1 1 55 55 TYR N N 15 115.819 0.066 . 1 . . . . 293 TYR N . 19046 1 201 . 1 1 56 56 ASP H H 1 7.897 0.006 . 1 . . . . 294 ASP H . 19046 1 202 . 1 1 56 56 ASP CA C 13 53.614 0.273 . 1 . . . . 294 ASP CA . 19046 1 203 . 1 1 56 56 ASP CB C 13 39.650 0.273 . 1 . . . . 294 ASP CB . 19046 1 204 . 1 1 56 56 ASP N N 15 123.379 0.066 . 1 . . . . 294 ASP N . 19046 1 205 . 1 1 57 57 ILE H H 1 7.445 0.006 . 1 . . . . 295 ILE H . 19046 1 206 . 1 1 57 57 ILE CA C 13 58.511 0.273 . 1 . . . . 295 ILE CA . 19046 1 207 . 1 1 57 57 ILE CB C 13 40.990 0.273 . 1 . . . . 295 ILE CB . 19046 1 208 . 1 1 57 57 ILE N N 15 123.035 0.066 . 1 . . . . 295 ILE N . 19046 1 209 . 1 1 58 58 PRO CA C 13 65.203 0.273 . 1 . . . . 296 PRO CA . 19046 1 210 . 1 1 58 58 PRO CB C 13 31.515 0.273 . 1 . . . . 296 PRO CB . 19046 1 211 . 1 1 59 59 GLY H H 1 8.592 0.006 . 1 . . . . 297 GLY H . 19046 1 212 . 1 1 59 59 GLY CA C 13 46.102 0.273 . 1 . . . . 297 GLY CA . 19046 1 213 . 1 1 59 59 GLY N N 15 109.551 0.066 . 1 . . . . 297 GLY N . 19046 1 214 . 1 1 60 60 LEU H H 1 7.547 0.006 . 1 . . . . 298 LEU H . 19046 1 215 . 1 1 60 60 LEU CA C 13 57.769 0.273 . 1 . . . . 298 LEU CA . 19046 1 216 . 1 1 60 60 LEU CB C 13 41.846 0.273 . 1 . . . . 298 LEU CB . 19046 1 217 . 1 1 60 60 LEU N N 15 122.166 0.066 . 1 . . . . 298 LEU N . 19046 1 218 . 1 1 61 61 VAL H H 1 7.760 0.006 . 1 . . . . 299 VAL H . 19046 1 219 . 1 1 61 61 VAL CA C 13 65.212 0.273 . 1 . . . . 299 VAL CA . 19046 1 220 . 1 1 61 61 VAL CB C 13 31.359 0.273 . 1 . . . . 299 VAL CB . 19046 1 221 . 1 1 61 61 VAL N N 15 116.771 0.066 . 1 . . . . 299 VAL N . 19046 1 222 . 1 1 62 62 ARG H H 1 7.275 0.006 . 1 . . . . 300 ARG H . 19046 1 223 . 1 1 62 62 ARG CA C 13 57.562 0.273 . 1 . . . . 300 ARG CA . 19046 1 224 . 1 1 62 62 ARG CB C 13 30.045 0.273 . 1 . . . . 300 ARG CB . 19046 1 225 . 1 1 62 62 ARG N N 15 116.739 0.066 . 1 . . . . 300 ARG N . 19046 1 226 . 1 1 63 63 LYS H H 1 7.925 0.006 . 1 . . . . 301 LYS H . 19046 1 227 . 1 1 63 63 LYS CA C 13 55.694 0.273 . 1 . . . . 301 LYS CA . 19046 1 228 . 1 1 63 63 LYS CB C 13 33.250 0.273 . 1 . . . . 301 LYS CB . 19046 1 229 . 1 1 63 63 LYS N N 15 115.187 0.066 . 1 . . . . 301 LYS N . 19046 1 230 . 1 1 64 64 ASN H H 1 7.253 0.006 . 1 . . . . 302 ASN H . 19046 1 231 . 1 1 64 64 ASN CA C 13 52.343 0.273 . 1 . . . . 302 ASN CA . 19046 1 232 . 1 1 64 64 ASN CB C 13 40.915 0.273 . 1 . . . . 302 ASN CB . 19046 1 233 . 1 1 64 64 ASN N N 15 118.446 0.066 . 1 . . . . 302 ASN N . 19046 1 234 . 1 1 65 65 ARG H H 1 8.868 0.006 . 1 . . . . 303 ARG H . 19046 1 235 . 1 1 65 65 ARG CA C 13 59.578 0.273 . 1 . . . . 303 ARG CA . 19046 1 236 . 1 1 65 65 ARG CB C 13 31.241 0.273 . 1 . . . . 303 ARG CB . 19046 1 237 . 1 1 65 65 ARG N N 15 125.123 0.066 . 1 . . . . 303 ARG N . 19046 1 238 . 1 1 66 66 TYR H H 1 9.248 0.006 . 1 . . . . 304 TYR H . 19046 1 239 . 1 1 66 66 TYR CA C 13 56.821 0.273 . 1 . . . . 304 TYR CA . 19046 1 240 . 1 1 66 66 TYR CB C 13 39.948 0.273 . 1 . . . . 304 TYR CB . 19046 1 241 . 1 1 66 66 TYR N N 15 118.013 0.066 . 1 . . . . 304 TYR N . 19046 1 242 . 1 1 67 67 LYS H H 1 8.559 0.006 . 1 . . . . 305 LYS H . 19046 1 243 . 1 1 67 67 LYS CA C 13 59.520 0.273 . 1 . . . . 305 LYS CA . 19046 1 244 . 1 1 67 67 LYS CB C 13 32.432 0.273 . 1 . . . . 305 LYS CB . 19046 1 245 . 1 1 67 67 LYS N N 15 122.158 0.066 . 1 . . . . 305 LYS N . 19046 1 246 . 1 1 68 68 THR H H 1 7.435 0.006 . 1 . . . . 306 THR H . 19046 1 247 . 1 1 68 68 THR CA C 13 61.446 0.273 . 1 . . . . 306 THR CA . 19046 1 248 . 1 1 68 68 THR CB C 13 69.194 0.273 . 1 . . . . 306 THR CB . 19046 1 249 . 1 1 68 68 THR N N 15 102.495 0.066 . 1 . . . . 306 THR N . 19046 1 250 . 1 1 69 69 ILE H H 1 6.944 0.006 . 1 . . . . 307 ILE H . 19046 1 251 . 1 1 69 69 ILE CA C 13 61.387 0.273 . 1 . . . . 307 ILE CA . 19046 1 252 . 1 1 69 69 ILE CB C 13 36.623 0.273 . 1 . . . . 307 ILE CB . 19046 1 253 . 1 1 69 69 ILE N N 15 124.746 0.066 . 1 . . . . 307 ILE N . 19046 1 254 . 1 1 70 70 LEU H H 1 7.860 0.006 . 1 . . . . 308 LEU H . 19046 1 255 . 1 1 70 70 LEU CA C 13 51.958 0.273 . 1 . . . . 308 LEU CA . 19046 1 256 . 1 1 70 70 LEU CB C 13 43.966 0.273 . 1 . . . . 308 LEU CB . 19046 1 257 . 1 1 70 70 LEU N N 15 127.423 0.066 . 1 . . . . 308 LEU N . 19046 1 258 . 1 1 71 71 PRO CA C 13 64.373 0.273 . 1 . . . . 309 PRO CA . 19046 1 259 . 1 1 71 71 PRO CB C 13 31.888 0.273 . 1 . . . . 309 PRO CB . 19046 1 260 . 1 1 72 72 ASN H H 1 7.841 0.006 . 1 . . . . 310 ASN H . 19046 1 261 . 1 1 72 72 ASN CA C 13 51.306 0.273 . 1 . . . . 310 ASN CA . 19046 1 262 . 1 1 72 72 ASN CB C 13 41.806 0.273 . 1 . . . . 310 ASN CB . 19046 1 263 . 1 1 72 72 ASN N N 15 118.173 0.066 . 1 . . . . 310 ASN N . 19046 1 264 . 1 1 73 73 PRO CA C 13 66.694 0.273 . 1 . . . . 311 PRO CA . 19046 1 265 . 1 1 73 73 PRO CB C 13 38.518 0.273 . 1 . . . . 311 PRO CB . 19046 1 266 . 1 1 74 74 HIS H H 1 8.522 0.006 . 1 . . . . 312 HIS H . 19046 1 267 . 1 1 74 74 HIS CA C 13 59.786 0.273 . 1 . . . . 312 HIS CA . 19046 1 268 . 1 1 74 74 HIS CB C 13 29.678 0.273 . 1 . . . . 312 HIS CB . 19046 1 269 . 1 1 74 74 HIS N N 15 116.349 0.066 . 1 . . . . 312 HIS N . 19046 1 270 . 1 1 75 75 SER H H 1 6.568 0.006 . 1 . . . . 313 SER H . 19046 1 271 . 1 1 75 75 SER CA C 13 56.346 0.273 . 1 . . . . 313 SER CA . 19046 1 272 . 1 1 75 75 SER CB C 13 64.431 0.273 . 1 . . . . 313 SER CB . 19046 1 273 . 1 1 75 75 SER N N 15 112.046 0.066 . 1 . . . . 313 SER N . 19046 1 274 . 1 1 76 76 ARG H H 1 7.023 0.006 . 1 . . . . 314 ARG H . 19046 1 275 . 1 1 76 76 ARG CA C 13 57.087 0.273 . 1 . . . . 314 ARG CA . 19046 1 276 . 1 1 76 76 ARG CB C 13 30.720 0.273 . 1 . . . . 314 ARG CB . 19046 1 277 . 1 1 76 76 ARG N N 15 124.418 0.066 . 1 . . . . 314 ARG N . 19046 1 278 . 1 1 77 77 VAL H H 1 7.052 0.006 . 1 . . . . 315 VAL H . 19046 1 279 . 1 1 77 77 VAL CA C 13 62.425 0.273 . 1 . . . . 315 VAL CA . 19046 1 280 . 1 1 77 77 VAL CB C 13 31.166 0.273 . 1 . . . . 315 VAL CB . 19046 1 281 . 1 1 77 77 VAL N N 15 124.820 0.066 . 1 . . . . 315 VAL N . 19046 1 282 . 1 1 78 78 ARG H H 1 8.483 0.006 . 1 . . . . 316 ARG H . 19046 1 283 . 1 1 78 78 ARG CA C 13 55.546 0.273 . 1 . . . . 316 ARG CA . 19046 1 284 . 1 1 78 78 ARG CB C 13 31.241 0.273 . 1 . . . . 316 ARG CB . 19046 1 285 . 1 1 78 78 ARG N N 15 128.474 0.066 . 1 . . . . 316 ARG N . 19046 1 286 . 1 1 79 79 LEU H H 1 8.619 0.006 . 1 . . . . 317 LEU H . 19046 1 287 . 1 1 79 79 LEU CA C 13 54.063 0.273 . 1 . . . . 317 LEU CA . 19046 1 288 . 1 1 79 79 LEU CB C 13 41.659 0.273 . 1 . . . . 317 LEU CB . 19046 1 289 . 1 1 79 79 LEU N N 15 125.039 0.066 . 1 . . . . 317 LEU N . 19046 1 290 . 1 1 80 80 THR H H 1 8.715 0.006 . 1 . . . . 318 THR H . 19046 1 291 . 1 1 80 80 THR CA C 13 63.255 0.273 . 1 . . . . 318 THR CA . 19046 1 292 . 1 1 80 80 THR CB C 13 69.715 0.273 . 1 . . . . 318 THR CB . 19046 1 293 . 1 1 80 80 THR N N 15 119.041 0.066 . 1 . . . . 318 THR N . 19046 1 294 . 1 1 81 81 SER H H 1 8.215 0.006 . 1 . . . . 319 SER H . 19046 1 295 . 1 1 81 81 SER CA C 13 55.872 0.273 . 1 . . . . 319 SER CA . 19046 1 296 . 1 1 81 81 SER CB C 13 64.925 0.273 . 1 . . . . 319 SER CB . 19046 1 297 . 1 1 81 81 SER N N 15 120.531 0.066 . 1 . . . . 319 SER N . 19046 1 298 . 1 1 82 82 PRO CA C 13 64.471 0.273 . 1 . . . . 320 PRO CA . 19046 1 299 . 1 1 82 82 PRO CB C 13 34.441 0.273 . 1 . . . . 320 PRO CB . 19046 1 300 . 1 1 83 83 ASP H H 1 7.991 0.006 . 1 . . . . 321 ASP H . 19046 1 301 . 1 1 83 83 ASP CA C 13 52.108 0.273 . 1 . . . . 321 ASP CA . 19046 1 302 . 1 1 83 83 ASP CB C 13 42.478 0.273 . 1 . . . . 321 ASP CB . 19046 1 303 . 1 1 83 83 ASP N N 15 121.612 0.066 . 1 . . . . 321 ASP N . 19046 1 304 . 1 1 84 84 PRO CA C 13 64.488 0.273 . 1 . . . . 322 PRO CA . 19046 1 305 . 1 1 84 84 PRO CB C 13 32.080 0.273 . 1 . . . . 322 PRO CB . 19046 1 306 . 1 1 85 85 GLU H H 1 8.200 0.006 . 1 . . . . 323 GLU H . 19046 1 307 . 1 1 85 85 GLU CA C 13 56.643 0.273 . 1 . . . . 323 GLU CA . 19046 1 308 . 1 1 85 85 GLU CB C 13 29.415 0.273 . 1 . . . . 323 GLU CB . 19046 1 309 . 1 1 85 85 GLU N N 15 117.642 0.066 . 1 . . . . 323 GLU N . 19046 1 310 . 1 1 86 86 ASP H H 1 7.511 0.006 . 1 . . . . 324 ASP H . 19046 1 311 . 1 1 86 86 ASP CA C 13 51.335 0.273 . 1 . . . . 324 ASP CA . 19046 1 312 . 1 1 86 86 ASP CB C 13 41.957 0.273 . 1 . . . . 324 ASP CB . 19046 1 313 . 1 1 86 86 ASP N N 15 120.750 0.066 . 1 . . . . 324 ASP N . 19046 1 314 . 1 1 88 88 LEU CA C 13 57.032 0.273 . 1 . . . . 326 LEU CA . 19046 1 315 . 1 1 88 88 LEU CB C 13 41.135 0.273 . 1 . . . . 326 LEU CB . 19046 1 316 . 1 1 89 89 SER H H 1 7.774 0.006 . 1 . . . . 327 SER H . 19046 1 317 . 1 1 89 89 SER CA C 13 61.364 0.273 . 1 . . . . 327 SER CA . 19046 1 318 . 1 1 89 89 SER CB C 13 63.657 0.273 . 1 . . . . 327 SER CB . 19046 1 319 . 1 1 89 89 SER N N 15 115.051 0.066 . 1 . . . . 327 SER N . 19046 1 320 . 1 1 90 90 SER H H 1 7.653 0.006 . 1 . . . . 328 SER H . 19046 1 321 . 1 1 90 90 SER CA C 13 59.252 0.273 . 1 . . . . 328 SER CA . 19046 1 322 . 1 1 90 90 SER CB C 13 65.373 0.273 . 1 . . . . 328 SER CB . 19046 1 323 . 1 1 90 90 SER N N 15 111.857 0.066 . 1 . . . . 328 SER N . 19046 1 324 . 1 1 91 91 TYR H H 1 7.262 0.006 . 1 . . . . 329 TYR H . 19046 1 325 . 1 1 91 91 TYR CA C 13 60.290 0.273 . 1 . . . . 329 TYR CA . 19046 1 326 . 1 1 91 91 TYR CB C 13 39.650 0.273 . 1 . . . . 329 TYR CB . 19046 1 327 . 1 1 91 91 TYR N N 15 122.756 0.066 . 1 . . . . 329 TYR N . 19046 1 328 . 1 1 92 92 ILE H H 1 7.661 0.006 . 1 . . . . 330 ILE H . 19046 1 329 . 1 1 92 92 ILE CA C 13 60.497 0.273 . 1 . . . . 330 ILE CA . 19046 1 330 . 1 1 92 92 ILE CB C 13 41.287 0.273 . 1 . . . . 330 ILE CB . 19046 1 331 . 1 1 92 92 ILE N N 15 125.318 0.066 . 1 . . . . 330 ILE N . 19046 1 332 . 1 1 93 93 ASN H H 1 7.895 0.006 . 1 . . . . 331 ASN H . 19046 1 333 . 1 1 93 93 ASN CA C 13 52.403 0.273 . 1 . . . . 331 ASN CA . 19046 1 334 . 1 1 93 93 ASN CB C 13 35.632 0.273 . 1 . . . . 331 ASN CB . 19046 1 335 . 1 1 93 93 ASN N N 15 124.516 0.066 . 1 . . . . 331 ASN N . 19046 1 336 . 1 1 94 94 ALA H H 1 7.556 0.006 . 1 . . . . 332 ALA H . 19046 1 337 . 1 1 94 94 ALA CA C 13 51.826 0.273 . 1 . . . . 332 ALA CA . 19046 1 338 . 1 1 94 94 ALA CB C 13 22.460 0.273 . 1 . . . . 332 ALA CB . 19046 1 339 . 1 1 94 94 ALA N N 15 129.031 0.066 . 1 . . . . 332 ALA N . 19046 1 340 . 1 1 95 95 ASN H H 1 8.514 0.006 . 1 . . . . 333 ASN H . 19046 1 341 . 1 1 95 95 ASN CA C 13 54.627 0.273 . 1 . . . . 333 ASN CA . 19046 1 342 . 1 1 95 95 ASN CB C 13 45.096 0.273 . 1 . . . . 333 ASN CB . 19046 1 343 . 1 1 95 95 ASN N N 15 116.798 0.066 . 1 . . . . 333 ASN N . 19046 1 344 . 1 1 96 96 TYR H H 1 8.874 0.006 . 1 . . . . 334 TYR H . 19046 1 345 . 1 1 96 96 TYR CA C 13 59.815 0.273 . 1 . . . . 334 TYR CA . 19046 1 346 . 1 1 96 96 TYR CB C 13 39.948 0.273 . 1 . . . . 334 TYR CB . 19046 1 347 . 1 1 96 96 TYR N N 15 121.391 0.066 . 1 . . . . 334 TYR N . 19046 1 348 . 1 1 97 97 ILE H H 1 9.205 0.006 . 1 . . . . 335 ILE H . 19046 1 349 . 1 1 97 97 ILE CA C 13 57.888 0.273 . 1 . . . . 335 ILE CA . 19046 1 350 . 1 1 97 97 ILE CB C 13 38.236 0.273 . 1 . . . . 335 ILE CB . 19046 1 351 . 1 1 97 97 ILE N N 15 125.442 0.066 . 1 . . . . 335 ILE N . 19046 1 352 . 1 1 98 98 ARG H H 1 8.647 0.006 . 1 . . . . 336 ARG H . 19046 1 353 . 1 1 98 98 ARG CA C 13 56.346 0.273 . 1 . . . . 336 ARG CA . 19046 1 354 . 1 1 98 98 ARG CB C 13 31.390 0.273 . 1 . . . . 336 ARG CB . 19046 1 355 . 1 1 98 98 ARG N N 15 126.356 0.066 . 1 . . . . 336 ARG N . 19046 1 356 . 1 1 99 99 GLY H H 1 8.871 0.006 . 1 . . . . 337 GLY H . 19046 1 357 . 1 1 99 99 GLY CA C 13 42.707 0.273 . 1 . . . . 337 GLY CA . 19046 1 358 . 1 1 99 99 GLY N N 15 104.945 0.066 . 1 . . . . 337 GLY N . 19046 1 359 . 1 1 100 100 TYR H H 1 9.382 0.006 . 1 . . . . 338 TYR H . 19046 1 360 . 1 1 100 100 TYR CA C 13 59.608 0.273 . 1 . . . . 338 TYR CA . 19046 1 361 . 1 1 100 100 TYR CB C 13 38.087 0.273 . 1 . . . . 338 TYR CB . 19046 1 362 . 1 1 100 100 TYR N N 15 125.184 0.066 . 1 . . . . 338 TYR N . 19046 1 363 . 1 1 101 101 SER H H 1 8.649 0.006 . 1 . . . . 339 SER H . 19046 1 364 . 1 1 101 101 SER CA C 13 59.341 0.273 . 1 . . . . 339 SER CA . 19046 1 365 . 1 1 101 101 SER CB C 13 63.566 0.273 . 1 . . . . 339 SER CB . 19046 1 366 . 1 1 101 101 SER N N 15 125.051 0.066 . 1 . . . . 339 SER N . 19046 1 367 . 1 1 102 102 GLY H H 1 7.990 0.006 . 1 . . . . 340 GLY H . 19046 1 368 . 1 1 102 102 GLY CA C 13 45.702 0.273 . 1 . . . . 340 GLY CA . 19046 1 369 . 1 1 102 102 GLY N N 15 106.849 0.066 . 1 . . . . 340 GLY N . 19046 1 370 . 1 1 103 103 GLU H H 1 6.607 0.006 . 1 . . . . 341 GLU H . 19046 1 371 . 1 1 103 103 GLU CA C 13 57.325 0.273 . 1 . . . . 341 GLU CA . 19046 1 372 . 1 1 103 103 GLU CB C 13 29.506 0.273 . 1 . . . . 341 GLU CB . 19046 1 373 . 1 1 103 103 GLU N N 15 121.807 0.066 . 1 . . . . 341 GLU N . 19046 1 374 . 1 1 104 104 GLU H H 1 8.490 0.006 . 1 . . . . 342 GLU H . 19046 1 375 . 1 1 104 104 GLU CA C 13 58.185 0.273 . 1 . . . . 342 GLU CA . 19046 1 376 . 1 1 104 104 GLU CB C 13 30.356 0.273 . 1 . . . . 342 GLU CB . 19046 1 377 . 1 1 104 104 GLU N N 15 124.891 0.066 . 1 . . . . 342 GLU N . 19046 1 378 . 1 1 105 105 LYS H H 1 9.220 0.006 . 1 . . . . 343 LYS H . 19046 1 379 . 1 1 105 105 LYS CA C 13 58.185 0.273 . 1 . . . . 343 LYS CA . 19046 1 380 . 1 1 105 105 LYS CB C 13 30.422 0.273 . 1 . . . . 343 LYS CB . 19046 1 381 . 1 1 105 105 LYS N N 15 114.219 0.066 . 1 . . . . 343 LYS N . 19046 1 382 . 1 1 106 106 VAL H H 1 7.135 0.006 . 1 . . . . 344 VAL H . 19046 1 383 . 1 1 106 106 VAL CA C 13 65.746 0.273 . 1 . . . . 344 VAL CA . 19046 1 384 . 1 1 106 106 VAL CB C 13 31.985 0.273 . 1 . . . . 344 VAL CB . 19046 1 385 . 1 1 106 106 VAL N N 15 119.112 0.066 . 1 . . . . 344 VAL N . 19046 1 386 . 1 1 107 107 TYR H H 1 8.054 0.006 . 1 . . . . 345 TYR H . 19046 1 387 . 1 1 107 107 TYR CA C 13 54.846 0.273 . 1 . . . . 345 TYR CA . 19046 1 388 . 1 1 107 107 TYR CB C 13 42.329 0.273 . 1 . . . . 345 TYR CB . 19046 1 389 . 1 1 107 107 TYR N N 15 113.600 0.066 . 1 . . . . 345 TYR N . 19046 1 390 . 1 1 108 108 ILE CA C 13 61.209 0.273 . 1 . . . . 346 ILE CA . 19046 1 391 . 1 1 108 108 ILE CB C 13 42.256 0.273 . 1 . . . . 346 ILE CB . 19046 1 392 . 1 1 109 109 ALA H H 1 8.346 0.006 . 1 . . . . 347 ALA H . 19046 1 393 . 1 1 109 109 ALA CA C 13 49.994 0.273 . 1 . . . . 347 ALA CA . 19046 1 394 . 1 1 109 109 ALA CB C 13 21.641 0.273 . 1 . . . . 347 ALA CB . 19046 1 395 . 1 1 109 109 ALA N N 15 128.537 0.066 . 1 . . . . 347 ALA N . 19046 1 396 . 1 1 110 110 THR H H 1 8.316 0.006 . 1 . . . . 348 THR H . 19046 1 397 . 1 1 110 110 THR CA C 13 58.362 0.273 . 1 . . . . 348 THR CA . 19046 1 398 . 1 1 110 110 THR CB C 13 71.868 0.273 . 1 . . . . 348 THR CB . 19046 1 399 . 1 1 110 110 THR N N 15 115.967 0.066 . 1 . . . . 348 THR N . 19046 1 400 . 1 1 111 111 GLN H H 1 6.407 0.006 . 1 . . . . 349 GLN H . 19046 1 401 . 1 1 111 111 GLN CA C 13 53.559 0.273 . 1 . . . . 349 GLN CA . 19046 1 402 . 1 1 111 111 GLN CB C 13 28.264 0.273 . 1 . . . . 349 GLN CB . 19046 1 403 . 1 1 111 111 GLN N N 15 117.735 0.066 . 1 . . . . 349 GLN N . 19046 1 404 . 1 1 112 112 GLY H H 1 8.906 0.006 . 1 . . . . 350 GLY H . 19046 1 405 . 1 1 112 112 GLY CA C 13 44.990 0.273 . 1 . . . . 350 GLY CA . 19046 1 406 . 1 1 112 112 GLY N N 15 112.757 0.066 . 1 . . . . 350 GLY N . 19046 1 407 . 1 1 113 113 PRO CA C 13 64.382 0.273 . 1 . . . . 351 PRO CA . 19046 1 408 . 1 1 113 113 PRO CB C 13 31.687 0.273 . 1 . . . . 351 PRO CB . 19046 1 409 . 1 1 114 114 ILE H H 1 7.409 0.006 . 1 . . . . 352 ILE H . 19046 1 410 . 1 1 114 114 ILE CA C 13 59.845 0.273 . 1 . . . . 352 ILE CA . 19046 1 411 . 1 1 114 114 ILE CB C 13 40.022 0.273 . 1 . . . . 352 ILE CB . 19046 1 412 . 1 1 114 114 ILE N N 15 117.691 0.066 . 1 . . . . 352 ILE N . 19046 1 413 . 1 1 115 115 VAL H H 1 8.496 0.006 . 1 . . . . 353 VAL H . 19046 1 414 . 1 1 115 115 VAL CA C 13 67.851 0.273 . 1 . . . . 353 VAL CA . 19046 1 415 . 1 1 115 115 VAL CB C 13 31.166 0.273 . 1 . . . . 353 VAL CB . 19046 1 416 . 1 1 115 115 VAL N N 15 122.514 0.066 . 1 . . . . 353 VAL N . 19046 1 417 . 1 1 116 116 SER H H 1 7.675 0.006 . 1 . . . . 354 SER H . 19046 1 418 . 1 1 116 116 SER CA C 13 59.608 0.273 . 1 . . . . 354 SER CA . 19046 1 419 . 1 1 116 116 SER CB C 13 63.464 0.273 . 1 . . . . 354 SER CB . 19046 1 420 . 1 1 116 116 SER N N 15 109.465 0.066 . 1 . . . . 354 SER N . 19046 1 421 . 1 1 117 117 THR H H 1 8.203 0.006 . 1 . . . . 355 THR H . 19046 1 422 . 1 1 117 117 THR CA C 13 61.446 0.273 . 1 . . . . 355 THR CA . 19046 1 423 . 1 1 117 117 THR CB C 13 70.012 0.273 . 1 . . . . 355 THR CB . 19046 1 424 . 1 1 117 117 THR N N 15 112.496 0.066 . 1 . . . . 355 THR N . 19046 1 425 . 1 1 118 118 VAL H H 1 7.021 0.006 . 1 . . . . 356 VAL H . 19046 1 426 . 1 1 118 118 VAL CA C 13 68.711 0.273 . 1 . . . . 356 VAL CA . 19046 1 427 . 1 1 118 118 VAL CB C 13 32.059 0.273 . 1 . . . . 356 VAL CB . 19046 1 428 . 1 1 118 118 VAL N N 15 124.756 0.066 . 1 . . . . 356 VAL N . 19046 1 429 . 1 1 119 119 ALA H H 1 8.179 0.006 . 1 . . . . 357 ALA H . 19046 1 430 . 1 1 119 119 ALA CA C 13 55.937 0.273 . 1 . . . . 357 ALA CA . 19046 1 431 . 1 1 119 119 ALA CB C 13 17.771 0.273 . 1 . . . . 357 ALA CB . 19046 1 432 . 1 1 119 119 ALA N N 15 119.624 0.066 . 1 . . . . 357 ALA N . 19046 1 433 . 1 1 120 120 ASP H H 1 7.303 0.006 . 1 . . . . 358 ASP H . 19046 1 434 . 1 1 120 120 ASP CA C 13 57.384 0.273 . 1 . . . . 358 ASP CA . 19046 1 435 . 1 1 120 120 ASP CB C 13 40.320 0.273 . 1 . . . . 358 ASP CB . 19046 1 436 . 1 1 120 120 ASP N N 15 119.435 0.066 . 1 . . . . 358 ASP N . 19046 1 437 . 1 1 121 121 PHE H H 1 8.327 0.006 . 1 . . . . 359 PHE H . 19046 1 438 . 1 1 121 121 PHE CA C 13 62.810 0.273 . 1 . . . . 359 PHE CA . 19046 1 439 . 1 1 121 121 PHE CB C 13 38.253 0.273 . 1 . . . . 359 PHE CB . 19046 1 440 . 1 1 121 121 PHE N N 15 120.670 0.066 . 1 . . . . 359 PHE N . 19046 1 441 . 1 1 135 135 MET CA C 13 53.707 0.273 . 1 . . . . 373 MET CA . 19046 1 442 . 1 1 135 135 MET CB C 13 33.771 0.273 . 1 . . . . 373 MET CB . 19046 1 443 . 1 1 136 136 ILE H H 1 8.324 0.006 . 1 . . . . 374 ILE H . 19046 1 444 . 1 1 136 136 ILE CA C 13 60.972 0.273 . 1 . . . . 374 ILE CA . 19046 1 445 . 1 1 136 136 ILE CB C 13 37.194 0.273 . 1 . . . . 374 ILE CB . 19046 1 446 . 1 1 136 136 ILE N N 15 128.642 0.066 . 1 . . . . 374 ILE N . 19046 1 447 . 1 1 137 137 THR H H 1 7.460 0.006 . 1 . . . . 375 THR H . 19046 1 448 . 1 1 137 137 THR CA C 13 62.899 0.273 . 1 . . . . 375 THR CA . 19046 1 449 . 1 1 137 137 THR CB C 13 74.403 0.273 . 1 . . . . 375 THR CB . 19046 1 450 . 1 1 137 137 THR N N 15 121.009 0.066 . 1 . . . . 375 THR N . 19046 1 451 . 1 1 138 138 ASN H H 1 9.228 0.006 . 1 . . . . 376 ASN H . 19046 1 452 . 1 1 138 138 ASN CA C 13 53.174 0.273 . 1 . . . . 376 ASN CA . 19046 1 453 . 1 1 138 138 ASN CB C 13 38.534 0.273 . 1 . . . . 376 ASN CB . 19046 1 454 . 1 1 138 138 ASN N N 15 125.813 0.066 . 1 . . . . 376 ASN N . 19046 1 455 . 1 1 139 139 ILE H H 1 9.013 0.006 . 1 . . . . 377 ILE H . 19046 1 456 . 1 1 139 139 ILE CA C 13 65.983 0.273 . 1 . . . . 377 ILE CA . 19046 1 457 . 1 1 139 139 ILE CB C 13 38.162 0.273 . 1 . . . . 377 ILE CB . 19046 1 458 . 1 1 139 139 ILE N N 15 122.582 0.066 . 1 . . . . 377 ILE N . 19046 1 459 . 1 1 140 140 GLU H H 1 9.301 0.006 . 1 . . . . 378 GLU H . 19046 1 460 . 1 1 140 140 GLU CA C 13 58.837 0.273 . 1 . . . . 378 GLU CA . 19046 1 461 . 1 1 140 140 GLU CB C 13 28.190 0.273 . 1 . . . . 378 GLU CB . 19046 1 462 . 1 1 140 140 GLU N N 15 118.991 0.066 . 1 . . . . 378 GLU N . 19046 1 463 . 1 1 141 141 GLU H H 1 7.647 0.006 . 1 . . . . 379 GLU H . 19046 1 464 . 1 1 141 141 GLU CA C 13 56.583 0.273 . 1 . . . . 379 GLU CA . 19046 1 465 . 1 1 141 141 GLU CB C 13 30.647 0.273 . 1 . . . . 379 GLU CB . 19046 1 466 . 1 1 141 141 GLU N N 15 118.000 0.066 . 1 . . . . 379 GLU N . 19046 1 467 . 1 1 142 142 MET H H 1 7.475 0.006 . 1 . . . . 380 MET H . 19046 1 468 . 1 1 142 142 MET CA C 13 56.317 0.273 . 1 . . . . 380 MET CA . 19046 1 469 . 1 1 142 142 MET CB C 13 30.348 0.273 . 1 . . . . 380 MET CB . 19046 1 470 . 1 1 142 142 MET N N 15 120.442 0.066 . 1 . . . . 380 MET N . 19046 1 471 . 1 1 143 143 ASN H H 1 8.342 0.006 . 1 . . . . 381 ASN H . 19046 1 472 . 1 1 143 143 ASN CA C 13 56.586 0.273 . 1 . . . . 381 ASN CA . 19046 1 473 . 1 1 143 143 ASN CB C 13 38.227 0.273 . 1 . . . . 381 ASN CB . 19046 1 474 . 1 1 143 143 ASN N N 15 116.798 0.066 . 1 . . . . 381 ASN N . 19046 1 475 . 1 1 144 144 GLU H H 1 7.923 0.006 . 1 . . . . 382 GLU H . 19046 1 476 . 1 1 144 144 GLU CA C 13 58.362 0.273 . 1 . . . . 382 GLU CA . 19046 1 477 . 1 1 144 144 GLU CB C 13 30.769 0.273 . 1 . . . . 382 GLU CB . 19046 1 478 . 1 1 144 144 GLU N N 15 119.407 0.066 . 1 . . . . 382 GLU N . 19046 1 479 . 1 1 151 151 PRO CA C 13 62.032 0.273 . 1 . . . . 389 PRO CA . 19046 1 480 . 1 1 151 151 PRO CB C 13 32.182 0.273 . 1 . . . . 389 PRO CB . 19046 1 481 . 1 1 152 152 GLU H H 1 8.277 0.006 . 1 . . . . 390 GLU H . 19046 1 482 . 1 1 152 152 GLU CA C 13 59.519 0.273 . 1 . . . . 390 GLU CA . 19046 1 483 . 1 1 152 152 GLU CB C 13 29.614 0.273 . 1 . . . . 390 GLU CB . 19046 1 484 . 1 1 152 152 GLU N N 15 119.871 0.066 . 1 . . . . 390 GLU N . 19046 1 485 . 1 1 153 153 GLU H H 1 8.180 0.006 . 1 . . . . 391 GLU H . 19046 1 486 . 1 1 153 153 GLU CA C 13 58.755 0.273 . 1 . . . . 391 GLU CA . 19046 1 487 . 1 1 153 153 GLU CB C 13 31.739 0.273 . 1 . . . . 391 GLU CB . 19046 1 488 . 1 1 153 153 GLU N N 15 116.296 0.066 . 1 . . . . 391 GLU N . 19046 1 489 . 1 1 154 154 GLN H H 1 7.920 0.006 . 1 . . . . 392 GLN H . 19046 1 490 . 1 1 154 154 GLN CA C 13 55.131 0.273 . 1 . . . . 392 GLN CA . 19046 1 491 . 1 1 154 154 GLN CB C 13 33.622 0.273 . 1 . . . . 392 GLN CB . 19046 1 492 . 1 1 154 154 GLN N N 15 118.210 0.066 . 1 . . . . 392 GLN N . 19046 1 493 . 1 1 155 155 VAL H H 1 8.656 0.006 . 1 . . . . 393 VAL H . 19046 1 494 . 1 1 155 155 VAL CA C 13 61.061 0.273 . 1 . . . . 393 VAL CA . 19046 1 495 . 1 1 155 155 VAL CB C 13 34.784 0.273 . 1 . . . . 393 VAL CB . 19046 1 496 . 1 1 155 155 VAL N N 15 124.536 0.066 . 1 . . . . 393 VAL N . 19046 1 497 . 1 1 156 156 VAL H H 1 7.550 0.006 . 1 . . . . 394 VAL H . 19046 1 498 . 1 1 156 156 VAL CA C 13 60.740 0.273 . 1 . . . . 394 VAL CA . 19046 1 499 . 1 1 156 156 VAL CB C 13 32.857 0.273 . 1 . . . . 394 VAL CB . 19046 1 500 . 1 1 156 156 VAL N N 15 124.876 0.066 . 1 . . . . 394 VAL N . 19046 1 501 . 1 1 157 157 HIS H H 1 8.330 0.006 . 1 . . . . 395 HIS H . 19046 1 502 . 1 1 157 157 HIS CA C 13 55.368 0.273 . 1 . . . . 395 HIS CA . 19046 1 503 . 1 1 157 157 HIS CB C 13 33.399 0.273 . 1 . . . . 395 HIS CB . 19046 1 504 . 1 1 157 157 HIS N N 15 124.946 0.066 . 1 . . . . 395 HIS N . 19046 1 505 . 1 1 158 158 ASP CA C 13 55.681 0.273 . 1 . . . . 396 ASP CA . 19046 1 506 . 1 1 158 158 ASP CB C 13 40.618 0.273 . 1 . . . . 396 ASP CB . 19046 1 507 . 1 1 159 159 GLY H H 1 7.918 0.006 . 1 . . . . 397 GLY H . 19046 1 508 . 1 1 159 159 GLY CA C 13 45.524 0.273 . 1 . . . . 397 GLY CA . 19046 1 509 . 1 1 159 159 GLY N N 15 102.950 0.066 . 1 . . . . 397 GLY N . 19046 1 510 . 1 1 160 160 VAL H H 1 7.793 0.006 . 1 . . . . 398 VAL H . 19046 1 511 . 1 1 160 160 VAL CA C 13 61.683 0.273 . 1 . . . . 398 VAL CA . 19046 1 512 . 1 1 160 160 VAL CB C 13 31.911 0.273 . 1 . . . . 398 VAL CB . 19046 1 513 . 1 1 160 160 VAL N N 15 122.944 0.066 . 1 . . . . 398 VAL N . 19046 1 514 . 1 1 161 161 GLU H H 1 9.029 0.006 . 1 . . . . 399 GLU H . 19046 1 515 . 1 1 161 161 GLU CA C 13 55.961 0.273 . 1 . . . . 399 GLU CA . 19046 1 516 . 1 1 161 161 GLU CB C 13 31.440 0.273 . 1 . . . . 399 GLU CB . 19046 1 517 . 1 1 161 161 GLU N N 15 128.564 0.066 . 1 . . . . 399 GLU N . 19046 1 518 . 1 1 162 162 ILE H H 1 9.273 0.006 . 1 . . . . 400 ILE H . 19046 1 519 . 1 1 162 162 ILE CA C 13 61.505 0.273 . 1 . . . . 400 ILE CA . 19046 1 520 . 1 1 162 162 ILE CB C 13 39.278 0.273 . 1 . . . . 400 ILE CB . 19046 1 521 . 1 1 162 162 ILE N N 15 134.006 0.066 . 1 . . . . 400 ILE N . 19046 1 522 . 1 1 163 163 THR H H 1 8.946 0.006 . 1 . . . . 401 THR H . 19046 1 523 . 1 1 163 163 THR CA C 13 61.357 0.273 . 1 . . . . 401 THR CA . 19046 1 524 . 1 1 163 163 THR CB C 13 71.203 0.273 . 1 . . . . 401 THR CB . 19046 1 525 . 1 1 163 163 THR N N 15 122.166 0.066 . 1 . . . . 401 THR N . 19046 1 526 . 1 1 164 164 VAL H H 1 8.738 0.006 . 1 . . . . 402 VAL H . 19046 1 527 . 1 1 164 164 VAL CA C 13 63.759 0.273 . 1 . . . . 402 VAL CA . 19046 1 528 . 1 1 164 164 VAL CB C 13 30.943 0.273 . 1 . . . . 402 VAL CB . 19046 1 529 . 1 1 164 164 VAL N N 15 127.079 0.066 . 1 . . . . 402 VAL N . 19046 1 530 . 1 1 165 165 GLN H H 1 9.270 0.006 . 1 . . . . 403 GLN H . 19046 1 531 . 1 1 165 165 GLN CA C 13 57.562 0.273 . 1 . . . . 403 GLN CA . 19046 1 532 . 1 1 165 165 GLN CB C 13 29.753 0.273 . 1 . . . . 403 GLN CB . 19046 1 533 . 1 1 165 165 GLN N N 15 128.701 0.066 . 1 . . . . 403 GLN N . 19046 1 534 . 1 1 166 166 LYS H H 1 7.446 0.006 . 1 . . . . 404 LYS H . 19046 1 535 . 1 1 166 166 LYS CA C 13 56.465 0.273 . 1 . . . . 404 LYS CA . 19046 1 536 . 1 1 166 166 LYS CB C 13 36.376 0.273 . 1 . . . . 404 LYS CB . 19046 1 537 . 1 1 166 166 LYS N N 15 116.911 0.066 . 1 . . . . 404 LYS N . 19046 1 538 . 1 1 167 167 VAL H H 1 8.427 0.006 . 1 . . . . 405 VAL H . 19046 1 539 . 1 1 167 167 VAL CA C 13 61.950 0.273 . 1 . . . . 405 VAL CA . 19046 1 540 . 1 1 167 167 VAL CB C 13 33.101 0.273 . 1 . . . . 405 VAL CB . 19046 1 541 . 1 1 167 167 VAL N N 15 124.173 0.066 . 1 . . . . 405 VAL N . 19046 1 542 . 1 1 168 168 ILE H H 1 9.765 0.006 . 1 . . . . 406 ILE H . 19046 1 543 . 1 1 168 168 ILE CA C 13 61.150 0.273 . 1 . . . . 406 ILE CA . 19046 1 544 . 1 1 168 168 ILE CB C 13 40.469 0.273 . 1 . . . . 406 ILE CB . 19046 1 545 . 1 1 168 168 ILE N N 15 130.776 0.066 . 1 . . . . 406 ILE N . 19046 1 546 . 1 1 169 169 HIS H H 1 9.014 0.006 . 1 . . . . 407 HIS H . 19046 1 547 . 1 1 169 169 HIS CA C 13 56.824 0.273 . 1 . . . . 407 HIS CA . 19046 1 548 . 1 1 169 169 HIS CB C 13 31.589 0.273 . 1 . . . . 407 HIS CB . 19046 1 549 . 1 1 169 169 HIS N N 15 128.060 0.066 . 1 . . . . 407 HIS N . 19046 1 550 . 1 1 170 170 THR H H 1 8.024 0.006 . 1 . . . . 408 THR H . 19046 1 551 . 1 1 170 170 THR CA C 13 60.290 0.273 . 1 . . . . 408 THR CA . 19046 1 552 . 1 1 170 170 THR CB C 13 71.563 0.273 . 1 . . . . 408 THR CB . 19046 1 553 . 1 1 170 170 THR N N 15 116.678 0.066 . 1 . . . . 408 THR N . 19046 1 554 . 1 1 171 171 GLU H H 1 8.551 0.006 . 1 . . . . 409 GLU H . 19046 1 555 . 1 1 171 171 GLU CA C 13 60.201 0.273 . 1 . . . . 409 GLU CA . 19046 1 556 . 1 1 171 171 GLU CB C 13 29.306 0.273 . 1 . . . . 409 GLU CB . 19046 1 557 . 1 1 171 171 GLU N N 15 119.473 0.066 . 1 . . . . 409 GLU N . 19046 1 558 . 1 1 172 172 ASP H H 1 7.681 0.006 . 1 . . . . 410 ASP H . 19046 1 559 . 1 1 172 172 ASP CA C 13 55.308 0.273 . 1 . . . . 410 ASP CA . 19046 1 560 . 1 1 172 172 ASP CB C 13 43.966 0.273 . 1 . . . . 410 ASP CB . 19046 1 561 . 1 1 172 172 ASP N N 15 112.994 0.066 . 1 . . . . 410 ASP N . 19046 1 562 . 1 1 173 173 TYR H H 1 6.824 0.006 . 1 . . . . 411 TYR H . 19046 1 563 . 1 1 173 173 TYR CA C 13 57.206 0.273 . 1 . . . . 411 TYR CA . 19046 1 564 . 1 1 173 173 TYR CB C 13 40.097 0.273 . 1 . . . . 411 TYR CB . 19046 1 565 . 1 1 173 173 TYR N N 15 112.240 0.066 . 1 . . . . 411 TYR N . 19046 1 566 . 1 1 174 174 ARG H H 1 8.969 0.006 . 1 . . . . 412 ARG H . 19046 1 567 . 1 1 174 174 ARG CA C 13 55.308 0.273 . 1 . . . . 412 ARG CA . 19046 1 568 . 1 1 174 174 ARG CB C 13 30.497 0.273 . 1 . . . . 412 ARG CB . 19046 1 569 . 1 1 174 174 ARG N N 15 118.909 0.066 . 1 . . . . 412 ARG N . 19046 1 570 . 1 1 175 175 LEU H H 1 9.681 0.006 . 1 . . . . 413 LEU H . 19046 1 571 . 1 1 175 175 LEU CA C 13 53.411 0.273 . 1 . . . . 413 LEU CA . 19046 1 572 . 1 1 175 175 LEU CB C 13 44.264 0.273 . 1 . . . . 413 LEU CB . 19046 1 573 . 1 1 175 175 LEU N N 15 131.694 0.066 . 1 . . . . 413 LEU N . 19046 1 574 . 1 1 180 180 LEU CA C 13 54.271 0.273 . 1 . . . . 418 LEU CA . 19046 1 575 . 1 1 180 180 LEU CB C 13 45.295 0.273 . 1 . . . . 418 LEU CB . 19046 1 576 . 1 1 181 181 ARG H H 1 8.865 0.006 . 1 . . . . 419 ARG H . 19046 1 577 . 1 1 181 181 ARG CA C 13 55.042 0.273 . 1 . . . . 419 ARG CA . 19046 1 578 . 1 1 181 181 ARG CB C 13 34.515 0.273 . 1 . . . . 419 ARG CB . 19046 1 579 . 1 1 181 181 ARG N N 15 122.769 0.066 . 1 . . . . 419 ARG N . 19046 1 580 . 1 1 182 182 ARG H H 1 8.410 0.006 . 1 . . . . 420 ARG H . 19046 1 581 . 1 1 182 182 ARG CA C 13 56.164 0.273 . 1 . . . . 420 ARG CA . 19046 1 582 . 1 1 182 182 ARG CB C 13 32.208 0.273 . 1 . . . . 420 ARG CB . 19046 1 583 . 1 1 182 182 ARG N N 15 127.572 0.066 . 1 . . . . 420 ARG N . 19046 1 584 . 1 1 183 183 GLY H H 1 9.088 0.006 . 1 . . . . 421 GLY H . 19046 1 585 . 1 1 183 183 GLY CA C 13 47.362 0.273 . 1 . . . . 421 GLY CA . 19046 1 586 . 1 1 183 183 GLY N N 15 119.777 0.066 . 1 . . . . 421 GLY N . 19046 1 587 . 1 1 184 184 THR H H 1 8.694 0.006 . 1 . . . . 422 THR H . 19046 1 588 . 1 1 184 184 THR CA C 13 62.247 0.273 . 1 . . . . 422 THR CA . 19046 1 589 . 1 1 184 184 THR CB C 13 69.400 0.273 . 1 . . . . 422 THR CB . 19046 1 590 . 1 1 184 184 THR N N 15 118.139 0.066 . 1 . . . . 422 THR N . 19046 1 591 . 1 1 185 185 GLU H H 1 8.041 0.006 . 1 . . . . 423 GLU H . 19046 1 592 . 1 1 185 185 GLU CA C 13 56.821 0.273 . 1 . . . . 423 GLU CA . 19046 1 593 . 1 1 185 185 GLU CB C 13 31.241 0.273 . 1 . . . . 423 GLU CB . 19046 1 594 . 1 1 185 185 GLU N N 15 125.447 0.066 . 1 . . . . 423 GLU N . 19046 1 595 . 1 1 186 186 GLU H H 1 8.524 0.006 . 1 . . . . 424 GLU H . 19046 1 596 . 1 1 186 186 GLU CA C 13 55.338 0.273 . 1 . . . . 424 GLU CA . 19046 1 597 . 1 1 186 186 GLU CB C 13 32.854 0.273 . 1 . . . . 424 GLU CB . 19046 1 598 . 1 1 186 186 GLU N N 15 126.157 0.066 . 1 . . . . 424 GLU N . 19046 1 599 . 1 1 187 187 ARG H H 1 9.526 0.006 . 1 . . . . 425 ARG H . 19046 1 600 . 1 1 187 187 ARG CA C 13 55.042 0.273 . 1 . . . . 425 ARG CA . 19046 1 601 . 1 1 187 187 ARG CB C 13 35.408 0.273 . 1 . . . . 425 ARG CB . 19046 1 602 . 1 1 187 187 ARG N N 15 124.244 0.066 . 1 . . . . 425 ARG N . 19046 1 603 . 1 1 188 188 THR H H 1 8.518 0.006 . 1 . . . . 426 THR H . 19046 1 604 . 1 1 188 188 THR CA C 13 61.505 0.273 . 1 . . . . 426 THR CA . 19046 1 605 . 1 1 188 188 THR CB C 13 71.798 0.273 . 1 . . . . 426 THR CB . 19046 1 606 . 1 1 188 188 THR N N 15 113.827 0.066 . 1 . . . . 426 THR N . 19046 1 607 . 1 1 189 189 LEU H H 1 9.041 0.006 . 1 . . . . 427 LEU H . 19046 1 608 . 1 1 189 189 LEU CA C 13 54.745 0.273 . 1 . . . . 427 LEU CA . 19046 1 609 . 1 1 189 189 LEU CB C 13 45.529 0.273 . 1 . . . . 427 LEU CB . 19046 1 610 . 1 1 189 189 LEU N N 15 124.895 0.066 . 1 . . . . 427 LEU N . 19046 1 611 . 1 1 216 216 VAL CA C 13 67.258 0.273 . 1 . . . . 454 VAL CA . 19046 1 612 . 1 1 217 217 GLU H H 1 8.079 0.006 . 1 . . . . 455 GLU H . 19046 1 613 . 1 1 217 217 GLU CA C 13 60.497 0.273 . 1 . . . . 455 GLU CA . 19046 1 614 . 1 1 217 217 GLU CB C 13 29.604 0.273 . 1 . . . . 455 GLU CB . 19046 1 615 . 1 1 217 217 GLU N N 15 120.221 0.066 . 1 . . . . 455 GLU N . 19046 1 616 . 1 1 218 218 GLU H H 1 8.177 0.006 . 1 . . . . 456 GLU H . 19046 1 617 . 1 1 218 218 GLU CA C 13 59.870 0.273 . 1 . . . . 456 GLU CA . 19046 1 618 . 1 1 218 218 GLU CB C 13 29.008 0.273 . 1 . . . . 456 GLU CB . 19046 1 619 . 1 1 218 218 GLU N N 15 120.301 0.066 . 1 . . . . 456 GLU N . 19046 1 620 . 1 1 219 219 ALA H H 1 8.306 0.006 . 1 . . . . 457 ALA H . 19046 1 621 . 1 1 219 219 ALA CA C 13 55.457 0.273 . 1 . . . . 457 ALA CA . 19046 1 622 . 1 1 219 219 ALA CB C 13 17.846 0.273 . 1 . . . . 457 ALA CB . 19046 1 623 . 1 1 219 219 ALA N N 15 124.049 0.066 . 1 . . . . 457 ALA N . 19046 1 624 . 1 1 220 220 ALA H H 1 8.806 0.006 . 1 . . . . 458 ALA H . 19046 1 625 . 1 1 220 220 ALA CA C 13 55.486 0.273 . 1 . . . . 458 ALA CA . 19046 1 626 . 1 1 220 220 ALA CB C 13 18.218 0.273 . 1 . . . . 458 ALA CB . 19046 1 627 . 1 1 220 220 ALA N N 15 123.558 0.066 . 1 . . . . 458 ALA N . 19046 1 628 . 1 1 221 221 GLN H H 1 7.940 0.006 . 1 . . . . 459 GLN H . 19046 1 629 . 1 1 221 221 GLN CA C 13 58.718 0.273 . 1 . . . . 459 GLN CA . 19046 1 630 . 1 1 221 221 GLN CB C 13 27.876 0.273 . 1 . . . . 459 GLN CB . 19046 1 631 . 1 1 221 221 GLN N N 15 118.944 0.066 . 1 . . . . 459 GLN N . 19046 1 632 . 1 1 222 222 GLN H H 1 7.599 0.006 . 1 . . . . 460 GLN H . 19046 1 633 . 1 1 222 222 GLN CA C 13 57.769 0.273 . 1 . . . . 460 GLN CA . 19046 1 634 . 1 1 222 222 GLN CB C 13 28.190 0.273 . 1 . . . . 460 GLN CB . 19046 1 635 . 1 1 222 222 GLN N N 15 118.031 0.066 . 1 . . . . 460 GLN N . 19046 1 636 . 1 1 223 223 GLU H H 1 7.470 0.006 . 1 . . . . 461 GLU H . 19046 1 637 . 1 1 223 223 GLU CA C 13 57.236 0.273 . 1 . . . . 461 GLU CA . 19046 1 638 . 1 1 223 223 GLU CB C 13 29.997 0.273 . 1 . . . . 461 GLU CB . 19046 1 639 . 1 1 223 223 GLU N N 15 117.632 0.066 . 1 . . . . 461 GLU N . 19046 1 640 . 1 1 224 224 GLY H H 1 7.354 0.006 . 1 . . . . 462 GLY H . 19046 1 641 . 1 1 224 224 GLY CA C 13 44.552 0.273 . 1 . . . . 462 GLY CA . 19046 1 642 . 1 1 224 224 GLY N N 15 106.717 0.066 . 1 . . . . 462 GLY N . 19046 1 643 . 1 1 225 225 PRO CA C 13 64.352 0.273 . 1 . . . . 463 PRO CA . 19046 1 644 . 1 1 225 225 PRO CB C 13 31.888 0.273 . 1 . . . . 463 PRO CB . 19046 1 645 . 1 1 226 226 HIS H H 1 8.122 0.006 . 1 . . . . 464 HIS H . 19046 1 646 . 1 1 226 226 HIS CA C 13 54.804 0.273 . 1 . . . . 464 HIS CA . 19046 1 647 . 1 1 226 226 HIS CB C 13 29.054 0.273 . 1 . . . . 464 HIS CB . 19046 1 648 . 1 1 226 226 HIS N N 15 116.931 0.066 . 1 . . . . 464 HIS N . 19046 1 649 . 1 1 227 227 CYS H H 1 8.166 0.006 . 1 . . . . 465 CYS H . 19046 1 650 . 1 1 227 227 CYS CA C 13 59.756 0.273 . 1 . . . . 465 CYS CA . 19046 1 651 . 1 1 227 227 CYS CB C 13 28.041 0.273 . 1 . . . . 465 CYS CB . 19046 1 652 . 1 1 227 227 CYS N N 15 124.350 0.066 . 1 . . . . 465 CYS N . 19046 1 653 . 1 1 228 228 SER H H 1 8.416 0.006 . 1 . . . . 466 SER H . 19046 1 654 . 1 1 228 228 SER CA C 13 61.179 0.273 . 1 . . . . 466 SER CA . 19046 1 655 . 1 1 228 228 SER CB C 13 62.607 0.273 . 1 . . . . 466 SER CB . 19046 1 656 . 1 1 228 228 SER N N 15 126.546 0.066 . 1 . . . . 466 SER N . 19046 1 657 . 1 1 232 232 VAL CA C 13 63.700 0.273 . 1 . . . . 470 VAL CA . 19046 1 658 . 1 1 232 232 VAL CB C 13 34.325 0.273 . 1 . . . . 470 VAL CB . 19046 1 659 . 1 1 233 233 HIS H H 1 8.454 0.006 . 1 . . . . 471 HIS H . 19046 1 660 . 1 1 233 233 HIS CA C 13 55.160 0.273 . 1 . . . . 471 HIS CA . 19046 1 661 . 1 1 233 233 HIS CB C 13 28.645 0.273 . 1 . . . . 471 HIS CB . 19046 1 662 . 1 1 233 233 HIS N N 15 120.731 0.066 . 1 . . . . 471 HIS N . 19046 1 663 . 1 1 234 234 CYS H H 1 8.655 0.006 . 1 . . . . 472 CYS H . 19046 1 664 . 1 1 234 234 CYS CA C 13 60.082 0.273 . 1 . . . . 472 CYS CA . 19046 1 665 . 1 1 234 234 CYS CB C 13 27.594 0.273 . 1 . . . . 472 CYS CB . 19046 1 666 . 1 1 234 234 CYS N N 15 125.873 0.066 . 1 . . . . 472 CYS N . 19046 1 667 . 1 1 235 235 SER H H 1 8.510 0.006 . 1 . . . . 473 SER H . 19046 1 668 . 1 1 235 235 SER CA C 13 61.090 0.273 . 1 . . . . 473 SER CA . 19046 1 669 . 1 1 235 235 SER CB C 13 62.571 0.273 . 1 . . . . 473 SER CB . 19046 1 670 . 1 1 235 235 SER N N 15 126.833 0.066 . 1 . . . . 473 SER N . 19046 1 671 . 1 1 236 236 ALA CA C 13 52.106 0.273 . 1 . . . . 474 ALA CA . 19046 1 672 . 1 1 236 236 ALA CB C 13 20.078 0.273 . 1 . . . . 474 ALA CB . 19046 1 673 . 1 1 237 237 GLY H H 1 8.652 0.006 . 1 . . . . 475 GLY H . 19046 1 674 . 1 1 237 237 GLY CA C 13 48.074 0.273 . 1 . . . . 475 GLY CA . 19046 1 675 . 1 1 237 237 GLY N N 15 110.774 0.066 . 1 . . . . 475 GLY N . 19046 1 676 . 1 1 238 238 ILE H H 1 7.394 0.006 . 1 . . . . 476 ILE H . 19046 1 677 . 1 1 238 238 ILE CA C 13 62.247 0.273 . 1 . . . . 476 ILE CA . 19046 1 678 . 1 1 238 238 ILE CB C 13 40.469 0.273 . 1 . . . . 476 ILE CB . 19046 1 679 . 1 1 238 238 ILE N N 15 107.934 0.066 . 1 . . . . 476 ILE N . 19046 1 680 . 1 1 239 239 GLY CA C 13 48.489 0.273 . 1 . . . . 477 GLY CA . 19046 1 681 . 1 1 240 240 ARG H H 1 8.576 0.006 . 1 . . . . 478 ARG H . 19046 1 682 . 1 1 240 240 ARG CA C 13 60.497 0.273 . 1 . . . . 478 ARG CA . 19046 1 683 . 1 1 240 240 ARG CB C 13 28.785 0.273 . 1 . . . . 478 ARG CB . 19046 1 684 . 1 1 240 240 ARG N N 15 129.733 0.066 . 1 . . . . 478 ARG N . 19046 1 685 . 1 1 241 241 THR H H 1 8.957 0.006 . 1 . . . . 479 THR H . 19046 1 686 . 1 1 241 241 THR CA C 13 68.414 0.273 . 1 . . . . 479 THR CA . 19046 1 687 . 1 1 241 241 THR CB C 13 69.301 0.273 . 1 . . . . 479 THR CB . 19046 1 688 . 1 1 241 241 THR N N 15 118.208 0.066 . 1 . . . . 479 THR N . 19046 1 689 . 1 1 242 242 GLY H H 1 6.439 0.006 . 1 . . . . 480 GLY H . 19046 1 690 . 1 1 242 242 GLY CA C 13 48.103 0.273 . 1 . . . . 480 GLY CA . 19046 1 691 . 1 1 242 242 GLY N N 15 107.450 0.066 . 1 . . . . 480 GLY N . 19046 1 692 . 1 1 243 243 CYS H H 1 8.073 0.006 . 1 . . . . 481 CYS H . 19046 1 693 . 1 1 243 243 CYS CA C 13 63.996 0.273 . 1 . . . . 481 CYS CA . 19046 1 694 . 1 1 243 243 CYS CB C 13 27.570 0.273 . 1 . . . . 481 CYS CB . 19046 1 695 . 1 1 243 243 CYS N N 15 119.668 0.066 . 1 . . . . 481 CYS N . 19046 1 696 . 1 1 244 244 PHE H H 1 8.567 0.006 . 1 . . . . 482 PHE H . 19046 1 697 . 1 1 244 244 PHE CA C 13 63.166 0.273 . 1 . . . . 482 PHE CA . 19046 1 698 . 1 1 244 244 PHE CB C 13 39.650 0.273 . 1 . . . . 482 PHE CB . 19046 1 699 . 1 1 244 244 PHE N N 15 122.145 0.066 . 1 . . . . 482 PHE N . 19046 1 700 . 1 1 245 245 ILE H H 1 8.160 0.006 . 1 . . . . 483 ILE H . 19046 1 701 . 1 1 245 245 ILE CA C 13 66.754 0.273 . 1 . . . . 483 ILE CA . 19046 1 702 . 1 1 245 245 ILE CB C 13 37.715 0.273 . 1 . . . . 483 ILE CB . 19046 1 703 . 1 1 245 245 ILE N N 15 121.897 0.066 . 1 . . . . 483 ILE N . 19046 1 704 . 1 1 246 246 ALA H H 1 8.745 0.006 . 1 . . . . 484 ALA H . 19046 1 705 . 1 1 246 246 ALA CA C 13 56.020 0.273 . 1 . . . . 484 ALA CA . 19046 1 706 . 1 1 246 246 ALA CB C 13 18.536 0.273 . 1 . . . . 484 ALA CB . 19046 1 707 . 1 1 246 246 ALA N N 15 120.050 0.066 . 1 . . . . 484 ALA N . 19046 1 708 . 1 1 249 249 ILE CA C 13 66.694 0.273 . 1 . . . . 487 ILE CA . 19046 1 709 . 1 1 249 249 ILE CB C 13 38.402 0.273 . 1 . . . . 487 ILE CB . 19046 1 710 . 1 1 250 250 CYS H H 1 8.544 0.006 . 1 . . . . 488 CYS H . 19046 1 711 . 1 1 250 250 CYS CA C 13 64.856 0.273 . 1 . . . . 488 CYS CA . 19046 1 712 . 1 1 250 250 CYS CB C 13 26.627 0.273 . 1 . . . . 488 CYS CB . 19046 1 713 . 1 1 250 250 CYS N N 15 117.228 0.066 . 1 . . . . 488 CYS N . 19046 1 714 . 1 1 251 251 CYS H H 1 8.391 0.006 . 1 . . . . 489 CYS H . 19046 1 715 . 1 1 251 251 CYS CA C 13 65.034 0.273 . 1 . . . . 489 CYS CA . 19046 1 716 . 1 1 251 251 CYS CB C 13 26.478 0.273 . 1 . . . . 489 CYS CB . 19046 1 717 . 1 1 251 251 CYS N N 15 120.091 0.066 . 1 . . . . 489 CYS N . 19046 1 718 . 1 1 252 252 GLN H H 1 6.786 0.006 . 1 . . . . 490 GLN H . 19046 1 719 . 1 1 252 252 GLN CA C 13 59.519 0.273 . 1 . . . . 490 GLN CA . 19046 1 720 . 1 1 252 252 GLN CB C 13 27.148 0.273 . 1 . . . . 490 GLN CB . 19046 1 721 . 1 1 252 252 GLN N N 15 118.749 0.066 . 1 . . . . 490 GLN N . 19046 1 722 . 1 1 253 253 GLN H H 1 8.077 0.006 . 1 . . . . 491 GLN H . 19046 1 723 . 1 1 253 253 GLN CA C 13 60.408 0.273 . 1 . . . . 491 GLN CA . 19046 1 724 . 1 1 253 253 GLN N N 15 119.868 0.066 . 1 . . . . 491 GLN N . 19046 1 725 . 1 1 254 254 LEU H H 1 8.634 0.006 . 1 . . . . 492 LEU H . 19046 1 726 . 1 1 254 254 LEU CA C 13 58.582 0.273 . 1 . . . . 492 LEU CA . 19046 1 727 . 1 1 254 254 LEU CB C 13 41.287 0.273 . 1 . . . . 492 LEU CB . 19046 1 728 . 1 1 254 254 LEU N N 15 121.181 0.066 . 1 . . . . 492 LEU N . 19046 1 729 . 1 1 255 255 ARG H H 1 7.734 0.006 . 1 . . . . 493 ARG H . 19046 1 730 . 1 1 255 255 ARG CA C 13 60.497 0.273 . 1 . . . . 493 ARG CA . 19046 1 731 . 1 1 255 255 ARG CB C 13 31.092 0.273 . 1 . . . . 493 ARG CB . 19046 1 732 . 1 1 255 255 ARG N N 15 117.479 0.066 . 1 . . . . 493 ARG N . 19046 1 733 . 1 1 256 256 ARG H H 1 7.882 0.006 . 1 . . . . 494 ARG H . 19046 1 734 . 1 1 256 256 ARG CA C 13 58.659 0.273 . 1 . . . . 494 ARG CA . 19046 1 735 . 1 1 256 256 ARG CB C 13 31.315 0.273 . 1 . . . . 494 ARG CB . 19046 1 736 . 1 1 256 256 ARG N N 15 115.882 0.066 . 1 . . . . 494 ARG N . 19046 1 737 . 1 1 257 257 GLU H H 1 9.140 0.006 . 1 . . . . 495 GLU H . 19046 1 738 . 1 1 257 257 GLU CA C 13 56.791 0.273 . 1 . . . . 495 GLU CA . 19046 1 739 . 1 1 257 257 GLU CB C 13 32.655 0.273 . 1 . . . . 495 GLU CB . 19046 1 740 . 1 1 257 257 GLU N N 15 115.681 0.066 . 1 . . . . 495 GLU N . 19046 1 741 . 1 1 258 258 GLY H H 1 8.009 0.006 . 1 . . . . 496 GLY H . 19046 1 742 . 1 1 258 258 GLY CA C 13 46.413 0.273 . 1 . . . . 496 GLY CA . 19046 1 743 . 1 1 258 258 GLY N N 15 107.950 0.066 . 1 . . . . 496 GLY N . 19046 1 744 . 1 1 259 259 VAL H H 1 7.150 0.006 . 1 . . . . 497 VAL H . 19046 1 745 . 1 1 259 259 VAL CA C 13 58.896 0.273 . 1 . . . . 497 VAL CA . 19046 1 746 . 1 1 259 259 VAL CB C 13 36.004 0.273 . 1 . . . . 497 VAL CB . 19046 1 747 . 1 1 259 259 VAL N N 15 111.365 0.066 . 1 . . . . 497 VAL N . 19046 1 748 . 1 1 260 260 VAL H H 1 8.130 0.006 . 1 . . . . 498 VAL H . 19046 1 749 . 1 1 260 260 VAL CA C 13 59.726 0.273 . 1 . . . . 498 VAL CA . 19046 1 750 . 1 1 260 260 VAL CB C 13 35.855 0.273 . 1 . . . . 498 VAL CB . 19046 1 751 . 1 1 260 260 VAL N N 15 109.988 0.066 . 1 . . . . 498 VAL N . 19046 1 752 . 1 1 261 261 ASP H H 1 8.096 0.006 . 1 . . . . 499 ASP H . 19046 1 753 . 1 1 261 261 ASP CA C 13 52.314 0.273 . 1 . . . . 499 ASP CA . 19046 1 754 . 1 1 261 261 ASP CB C 13 41.957 0.273 . 1 . . . . 499 ASP CB . 19046 1 755 . 1 1 261 261 ASP N N 15 125.577 0.066 . 1 . . . . 499 ASP N . 19046 1 756 . 1 1 262 262 ILE H H 1 8.531 0.006 . 1 . . . . 500 ILE H . 19046 1 757 . 1 1 262 262 ILE CA C 13 65.805 0.273 . 1 . . . . 500 ILE CA . 19046 1 758 . 1 1 262 262 ILE CB C 13 38.013 0.273 . 1 . . . . 500 ILE CB . 19046 1 759 . 1 1 262 262 ILE N N 15 130.850 0.066 . 1 . . . . 500 ILE N . 19046 1 760 . 1 1 263 263 LEU H H 1 9.570 0.006 . 1 . . . . 501 LEU H . 19046 1 761 . 1 1 263 263 LEU CA C 13 59.430 0.273 . 1 . . . . 501 LEU CA . 19046 1 762 . 1 1 263 263 LEU CB C 13 41.287 0.273 . 1 . . . . 501 LEU CB . 19046 1 763 . 1 1 263 263 LEU N N 15 128.933 0.066 . 1 . . . . 501 LEU N . 19046 1 764 . 1 1 270 270 ARG CA C 13 57.918 0.273 . 1 . . . . 508 ARG CA . 19046 1 765 . 1 1 270 270 ARG CB C 13 30.348 0.273 . 1 . . . . 508 ARG CB . 19046 1 766 . 1 1 271 271 GLN H H 1 7.674 0.006 . 1 . . . . 509 GLN H . 19046 1 767 . 1 1 271 271 GLN CA C 13 58.896 0.273 . 1 . . . . 509 GLN CA . 19046 1 768 . 1 1 271 271 GLN CB C 13 29.008 0.273 . 1 . . . . 509 GLN CB . 19046 1 769 . 1 1 271 271 GLN N N 15 116.443 0.066 . 1 . . . . 509 GLN N . 19046 1 770 . 1 1 272 272 ASP H H 1 7.171 0.006 . 1 . . . . 510 ASP H . 19046 1 771 . 1 1 272 272 ASP CA C 13 57.651 0.273 . 1 . . . . 510 ASP CA . 19046 1 772 . 1 1 272 272 ASP CB C 13 42.776 0.273 . 1 . . . . 510 ASP CB . 19046 1 773 . 1 1 272 272 ASP N N 15 119.040 0.066 . 1 . . . . 510 ASP N . 19046 1 774 . 1 1 273 273 ARG H H 1 8.452 0.006 . 1 . . . . 511 ARG H . 19046 1 775 . 1 1 273 273 ARG CA C 13 56.465 0.273 . 1 . . . . 511 ARG CA . 19046 1 776 . 1 1 273 273 ARG CB C 13 32.134 0.273 . 1 . . . . 511 ARG CB . 19046 1 777 . 1 1 273 273 ARG N N 15 121.690 0.066 . 1 . . . . 511 ARG N . 19046 1 778 . 1 1 274 274 GLY H H 1 9.239 0.006 . 1 . . . . 512 GLY H . 19046 1 779 . 1 1 274 274 GLY CA C 13 47.688 0.273 . 1 . . . . 512 GLY CA . 19046 1 780 . 1 1 274 274 GLY N N 15 114.147 0.066 . 1 . . . . 512 GLY N . 19046 1 781 . 1 1 275 275 GLY H H 1 8.100 0.006 . 1 . . . . 513 GLY H . 19046 1 782 . 1 1 275 275 GLY CA C 13 45.634 0.273 . 1 . . . . 513 GLY CA . 19046 1 783 . 1 1 275 275 GLY N N 15 105.595 0.066 . 1 . . . . 513 GLY N . 19046 1 784 . 1 1 276 276 MET H H 1 6.617 0.006 . 1 . . . . 514 MET H . 19046 1 785 . 1 1 276 276 MET CA C 13 57.325 0.273 . 1 . . . . 514 MET CA . 19046 1 786 . 1 1 276 276 MET CB C 13 34.590 0.273 . 1 . . . . 514 MET CB . 19046 1 787 . 1 1 276 276 MET N N 15 115.086 0.066 . 1 . . . . 514 MET N . 19046 1 788 . 1 1 277 277 ILE H H 1 8.469 0.006 . 1 . . . . 515 ILE H . 19046 1 789 . 1 1 277 277 ILE CA C 13 67.646 0.273 . 1 . . . . 515 ILE CA . 19046 1 790 . 1 1 277 277 ILE CB C 13 33.920 0.273 . 1 . . . . 515 ILE CB . 19046 1 791 . 1 1 277 277 ILE N N 15 115.291 0.066 . 1 . . . . 515 ILE N . 19046 1 792 . 1 1 278 278 GLN H H 1 7.996 0.006 . 1 . . . . 516 GLN H . 19046 1 793 . 1 1 278 278 GLN CA C 13 58.392 0.273 . 1 . . . . 516 GLN CA . 19046 1 794 . 1 1 278 278 GLN CB C 13 31.762 0.273 . 1 . . . . 516 GLN CB . 19046 1 795 . 1 1 278 278 GLN N N 15 124.170 0.066 . 1 . . . . 516 GLN N . 19046 1 796 . 1 1 279 279 THR H H 1 7.303 0.006 . 1 . . . . 517 THR H . 19046 1 797 . 1 1 279 279 THR CA C 13 58.458 0.273 . 1 . . . . 517 THR CA . 19046 1 798 . 1 1 279 279 THR CB C 13 72.607 0.273 . 1 . . . . 517 THR CB . 19046 1 799 . 1 1 279 279 THR N N 15 105.556 0.066 . 1 . . . . 517 THR N . 19046 1 800 . 1 1 280 280 CYS H H 1 8.986 0.006 . 1 . . . . 518 CYS H . 19046 1 801 . 1 1 280 280 CYS CA C 13 61.031 0.273 . 1 . . . . 518 CYS CA . 19046 1 802 . 1 1 280 280 CYS CB C 13 26.181 0.273 . 1 . . . . 518 CYS CB . 19046 1 803 . 1 1 280 280 CYS N N 15 122.596 0.066 . 1 . . . . 518 CYS N . 19046 1 804 . 1 1 281 281 GLU H H 1 8.637 0.006 . 1 . . . . 519 GLU H . 19046 1 805 . 1 1 281 281 GLU CA C 13 60.735 0.273 . 1 . . . . 519 GLU CA . 19046 1 806 . 1 1 281 281 GLU CB C 13 28.711 0.273 . 1 . . . . 519 GLU CB . 19046 1 807 . 1 1 281 281 GLU N N 15 121.233 0.066 . 1 . . . . 519 GLU N . 19046 1 808 . 1 1 282 282 GLN H H 1 7.649 0.006 . 1 . . . . 520 GLN H . 19046 1 809 . 1 1 282 282 GLN CA C 13 59.608 0.273 . 1 . . . . 520 GLN CA . 19046 1 810 . 1 1 282 282 GLN CB C 13 28.233 0.273 . 1 . . . . 520 GLN CB . 19046 1 811 . 1 1 282 282 GLN N N 15 121.275 0.066 . 1 . . . . 520 GLN N . 19046 1 812 . 1 1 283 283 TYR H H 1 7.689 0.006 . 1 . . . . 521 TYR H . 19046 1 813 . 1 1 283 283 TYR CA C 13 62.484 0.273 . 1 . . . . 521 TYR CA . 19046 1 814 . 1 1 283 283 TYR CB C 13 39.810 0.273 . 1 . . . . 521 TYR CB . 19046 1 815 . 1 1 283 283 TYR N N 15 122.327 0.066 . 1 . . . . 521 TYR N . 19046 1 816 . 1 1 284 284 GLN H H 1 9.066 0.006 . 1 . . . . 522 GLN H . 19046 1 817 . 1 1 284 284 GLN CA C 13 59.898 0.273 . 1 . . . . 522 GLN CA . 19046 1 818 . 1 1 284 284 GLN CB C 13 27.357 0.273 . 1 . . . . 522 GLN CB . 19046 1 819 . 1 1 284 284 GLN N N 15 121.364 0.066 . 1 . . . . 522 GLN N . 19046 1 820 . 1 1 285 285 PHE H H 1 8.401 0.006 . 1 . . . . 523 PHE H . 19046 1 821 . 1 1 285 285 PHE CA C 13 60.712 0.273 . 1 . . . . 523 PHE CA . 19046 1 822 . 1 1 285 285 PHE CB C 13 38.980 0.273 . 1 . . . . 523 PHE CB . 19046 1 823 . 1 1 285 285 PHE N N 15 123.294 0.066 . 1 . . . . 523 PHE N . 19046 1 824 . 1 1 286 286 VAL H H 1 7.837 0.006 . 1 . . . . 524 VAL H . 19046 1 825 . 1 1 286 286 VAL CA C 13 67.110 0.273 . 1 . . . . 524 VAL CA . 19046 1 826 . 1 1 286 286 VAL CB C 13 31.360 0.273 . 1 . . . . 524 VAL CB . 19046 1 827 . 1 1 286 286 VAL N N 15 117.059 0.066 . 1 . . . . 524 VAL N . 19046 1 828 . 1 1 287 287 HIS H H 1 7.100 0.006 . 1 . . . . 525 HIS H . 19046 1 829 . 1 1 287 287 HIS CA C 13 62.929 0.273 . 1 . . . . 525 HIS CA . 19046 1 830 . 1 1 287 287 HIS CB C 13 27.297 0.273 . 1 . . . . 525 HIS CB . 19046 1 831 . 1 1 287 287 HIS N N 15 116.862 0.066 . 1 . . . . 525 HIS N . 19046 1 832 . 1 1 288 288 HIS H H 1 8.551 0.006 . 1 . . . . 526 HIS H . 19046 1 833 . 1 1 288 288 HIS CA C 13 60.163 0.273 . 1 . . . . 526 HIS CA . 19046 1 834 . 1 1 288 288 HIS CB C 13 29.282 0.273 . 1 . . . . 526 HIS CB . 19046 1 835 . 1 1 288 288 HIS N N 15 119.473 0.066 . 1 . . . . 526 HIS N . 19046 1 836 . 1 1 289 289 ALA CA C 13 55.575 0.273 . 1 . . . . 527 ALA CA . 19046 1 837 . 1 1 289 289 ALA CB C 13 16.238 0.273 . 1 . . . . 527 ALA CB . 19046 1 838 . 1 1 290 290 MET H H 1 8.004 0.006 . 1 . . . . 528 MET H . 19046 1 839 . 1 1 290 290 MET CA C 13 55.486 0.273 . 1 . . . . 528 MET CA . 19046 1 840 . 1 1 290 290 MET N N 15 114.413 0.066 . 1 . . . . 528 MET N . 19046 1 841 . 1 1 291 291 SER H H 1 8.327 0.006 . 1 . . . . 529 SER H . 19046 1 842 . 1 1 291 291 SER CA C 13 61.166 0.273 . 1 . . . . 529 SER CA . 19046 1 843 . 1 1 291 291 SER CB C 13 63.017 0.273 . 1 . . . . 529 SER CB . 19046 1 844 . 1 1 291 291 SER N N 15 116.015 0.066 . 1 . . . . 529 SER N . 19046 1 845 . 1 1 292 292 LEU H H 1 7.776 0.006 . 1 . . . . 530 LEU H . 19046 1 846 . 1 1 292 292 LEU CA C 13 58.185 0.273 . 1 . . . . 530 LEU CA . 19046 1 847 . 1 1 292 292 LEU CB C 13 40.766 0.273 . 1 . . . . 530 LEU CB . 19046 1 848 . 1 1 292 292 LEU N N 15 119.812 0.066 . 1 . . . . 530 LEU N . 19046 1 849 . 1 1 293 293 TYR H H 1 8.511 0.006 . 1 . . . . 531 TYR H . 19046 1 850 . 1 1 293 293 TYR CA C 13 61.417 0.273 . 1 . . . . 531 TYR CA . 19046 1 851 . 1 1 293 293 TYR CB C 13 37.938 0.273 . 1 . . . . 531 TYR CB . 19046 1 852 . 1 1 293 293 TYR N N 15 120.678 0.066 . 1 . . . . 531 TYR N . 19046 1 853 . 1 1 294 294 GLU H H 1 8.321 0.006 . 1 . . . . 532 GLU H . 19046 1 854 . 1 1 294 294 GLU CA C 13 61.222 0.273 . 1 . . . . 532 GLU CA . 19046 1 855 . 1 1 294 294 GLU CB C 13 28.233 0.273 . 1 . . . . 532 GLU CB . 19046 1 856 . 1 1 294 294 GLU N N 15 119.139 0.066 . 1 . . . . 532 GLU N . 19046 1 857 . 1 1 295 295 LYS H H 1 7.557 0.006 . 1 . . . . 533 LYS H . 19046 1 858 . 1 1 295 295 LYS CA C 13 59.786 0.273 . 1 . . . . 533 LYS CA . 19046 1 859 . 1 1 295 295 LYS CB C 13 32.004 0.273 . 1 . . . . 533 LYS CB . 19046 1 860 . 1 1 295 295 LYS N N 15 118.031 0.066 . 1 . . . . 533 LYS N . 19046 1 861 . 1 1 296 296 GLN H H 1 8.039 0.006 . 1 . . . . 534 GLN H . 19046 1 862 . 1 1 296 296 GLN CA C 13 58.629 0.273 . 1 . . . . 534 GLN CA . 19046 1 863 . 1 1 296 296 GLN CB C 13 27.892 0.273 . 1 . . . . 534 GLN CB . 19046 1 864 . 1 1 296 296 GLN N N 15 119.634 0.066 . 1 . . . . 534 GLN N . 19046 1 865 . 1 1 297 297 LEU H H 1 8.091 0.006 . 1 . . . . 535 LEU H . 19046 1 866 . 1 1 297 297 LEU CA C 13 57.325 0.273 . 1 . . . . 535 LEU CA . 19046 1 867 . 1 1 297 297 LEU CB C 13 41.734 0.273 . 1 . . . . 535 LEU CB . 19046 1 868 . 1 1 297 297 LEU N N 15 121.442 0.066 . 1 . . . . 535 LEU N . 19046 1 869 . 1 1 298 298 SER H H 1 7.895 0.006 . 1 . . . . 536 SER H . 19046 1 870 . 1 1 298 298 SER CA C 13 59.726 0.273 . 1 . . . . 536 SER CA . 19046 1 871 . 1 1 298 298 SER CB C 13 63.761 0.273 . 1 . . . . 536 SER CB . 19046 1 872 . 1 1 298 298 SER N N 15 113.755 0.066 . 1 . . . . 536 SER N . 19046 1 873 . 1 1 299 299 HIS H H 1 7.689 0.006 . 1 . . . . 537 HIS H . 19046 1 874 . 1 1 299 299 HIS CA C 13 56.672 0.273 . 1 . . . . 537 HIS CA . 19046 1 875 . 1 1 299 299 HIS CB C 13 28.934 0.273 . 1 . . . . 537 HIS CB . 19046 1 876 . 1 1 299 299 HIS N N 15 119.871 0.066 . 1 . . . . 537 HIS N . 19046 1 877 . 1 1 300 300 GLN H H 1 8.096 0.006 . 1 . . . . 538 GLN H . 19046 1 878 . 1 1 300 300 GLN CA C 13 56.376 0.273 . 1 . . . . 538 GLN CA . 19046 1 879 . 1 1 300 300 GLN CB C 13 29.529 0.273 . 1 . . . . 538 GLN CB . 19046 1 880 . 1 1 300 300 GLN N N 15 121.516 0.066 . 1 . . . . 538 GLN N . 19046 1 881 . 1 1 301 301 SER H H 1 7.873 0.006 . 1 . . . . 539 SER H . 19046 1 882 . 1 1 301 301 SER CA C 13 60.438 0.273 . 1 . . . . 539 SER CA . 19046 1 883 . 1 1 301 301 SER CB C 13 65.101 0.273 . 1 . . . . 539 SER CB . 19046 1 884 . 1 1 301 301 SER N N 15 123.325 0.066 . 1 . . . . 539 SER N . 19046 1 stop_ save_