data_18353 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18353 _Entry.Title ; 1H, 15N and 13C backbone resonance assignments of the Kelch domain of mouse Keap1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-27 _Entry.Accession_date 2012-03-27 _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 Elio Cino . A. . 18353 2 Wing-Yiu Choy . . . 18353 3 Jingsong Fan . . . 18353 4 Daiwen Yang . . . 18353 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Western Ontario' . 18353 2 . 'National University of Singapore' . 18353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 490 18353 '15N chemical shifts' 251 18353 '1H chemical shifts' 251 18353 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 . . 2014-02-24 2012-03-27 update BMRB 'update entry citation' 18353 1 . . 2012-06-11 2012-03-27 original author 'original release' 18353 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18353 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22688683 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C backbone resonance assignments of the Kelch domain of mouse Keap1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 149 _Citation.Page_last 153 _Citation.Year 2013 _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 Elio Cino . . . 18353 1 2 Jingsong Fan . . . 18353 1 3 Daiwen Yang . . . 18353 1 4 Wing-Yiu Choy . . . 18353 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Keap1 18353 1 'Kelch domain' 18353 1 Nrf2 18353 1 'oxidative stress repsonse' 18353 1 'protein-protein interaction' 18353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18353 _Assembly.ID 1 _Assembly.Name 'Kelch domain of mouse Keap1' _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 . _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 'Kelch domain of mouse Keap1' 1 $Kelch_domain A . yes native no no . . . 18353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Kelch_domain _Entity.Sf_category entity _Entity.Sf_framecode Kelch_domain _Entity.Entry_ID 18353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Kelch_domain_of_mouse_Keap1 _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 ; GVGRLIYTAGGYFRQSLSYL EAYNPSNGSWLRLADLQVPR SGLAGCVVGGLLYAVGGRNN SPDGNTDSSALDCYNPMTNQ WSPCASMSVPRNRIGVGVID GHIYAVGGSHGCIHHSSVER YEPERDEWHLVAPMLTRRIG VGVAVLNRLLYAVGGFDGTN RLNSAECYYPERNEWRMITP MNTIRSGAGVCVLHNCIYAA GGYDGQDQLNSVERYDVETE TWTFVAPMRHHRSALGITVH QGKIYVLGGYDGHTFLDSVE CYDPDSDTWSEVTRMTSGRS GVGVAVTMEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The starting G was a non-native residue from the TEV recognition sequence that remained after cleavage' _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 290 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Kelch domain of mouse Keap1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 1X2J . "Structural Basis For The Defects Of Human Lung Cancer Somatic Mutations In The Repression Activity Of Keap1 On Nrf2" . . . . . 99.66 316 100.00 100.00 0.00e+00 . . . . 18353 1 2 no PDB 1X2R . "Structural Basis For The Defects Of Human Lung Cancer Somatic Mutations In The Repression Activity Of Keap1 On Nrf2" . . . . . 99.66 316 100.00 100.00 0.00e+00 . . . . 18353 1 3 no PDB 2DYH . "Crystal Structure Of The Keap1 Protein In Complexed With The N-Terminal Region Of The Nrf2 Transcription Factor" . . . . . 99.66 318 100.00 100.00 0.00e+00 . . . . 18353 1 4 no PDB 2Z32 . "Crystal Structure Of Keap1 Complexed With Prothymosin Alpha" . . . . . 99.66 318 100.00 100.00 0.00e+00 . . . . 18353 1 5 no PDB 3ADE . "Crystal Structure Of Keap1 In Complex With Sequestosome- 1P62" . . . . . 99.66 318 100.00 100.00 0.00e+00 . . . . 18353 1 6 no PDB 3WDZ . "Crystal Structure Of Keap1 In Complex With Phosphorylated P62" . . . . . 98.62 311 100.00 100.00 0.00e+00 . . . . 18353 1 7 no PDB 3WN7 . "Crystal Structure Of Keap1 In Complex With The N-terminal Region Of The Nrf2 Transcription Factor" . . . . . 98.62 311 100.00 100.00 0.00e+00 . . . . 18353 1 8 no PDB 5CGJ . "Crystal Structure Of Murine Keap1 In Complex With Ra839, A Non- Covalent Small-molecule Binder To Keap1 And Selective Activator" . . . . . 99.66 336 100.00 100.00 0.00e+00 . . . . 18353 1 9 no DBJ BAA34639 . "Keap1 [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 10 no DBJ BAB23519 . "unnamed protein product [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 11 no DBJ BAC32621 . "unnamed protein product [Mus musculus]" . . . . . 99.66 624 99.65 99.65 0.00e+00 . . . . 18353 1 12 no DBJ BAC36267 . "unnamed protein product [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 13 no DBJ BAC97871 . "mKIAA0132 protein [Mus musculus]" . . . . . 99.66 637 100.00 100.00 0.00e+00 . . . . 18353 1 14 no EMBL CAG15151 . "kelch-like ECH-associated protein 1 [Sus scrofa]" . . . . . 99.66 624 97.23 99.31 0.00e+00 . . . . 18353 1 15 no GB AAH55732 . "Kelch-like ECH-associated protein 1 [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 16 no GB AAI51546 . "KEAP1 protein [Bos taurus]" . . . . . 99.66 624 97.23 99.31 0.00e+00 . . . . 18353 1 17 no GB AAL84711 . "NRF2 cytosolic inhibitor [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 18 no GB EDL25167 . "kelch-like ECH-associated protein 1, isoform CRA_a, partial [Mus musculus]" . . . . . 99.66 637 100.00 100.00 0.00e+00 . . . . 18353 1 19 no GB EDL25168 . "kelch-like ECH-associated protein 1, isoform CRA_a, partial [Mus musculus]" . . . . . 99.66 637 100.00 100.00 0.00e+00 . . . . 18353 1 20 no REF NP_001094612 . "kelch-like ECH-associated protein 1 [Bos taurus]" . . . . . 99.66 624 97.23 99.31 0.00e+00 . . . . 18353 1 21 no REF NP_001103775 . "kelch-like ECH-associated protein 1 [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 22 no REF NP_001103776 . "kelch-like ECH-associated protein 1 [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 23 no REF NP_001103777 . "kelch-like ECH-associated protein 1 [Mus musculus]" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 24 no REF NP_001108143 . "kelch-like ECH-associated protein 1 [Sus scrofa]" . . . . . 99.66 624 97.23 99.31 0.00e+00 . . . . 18353 1 25 no SP Q684M4 . "RecName: Full=Kelch-like ECH-associated protein 1; AltName: Full=Cytosolic inhibitor of Nrf2; Short=INrf2" . . . . . 99.66 624 97.23 99.31 0.00e+00 . . . . 18353 1 26 no SP Q9Z2X8 . "RecName: Full=Kelch-like ECH-associated protein 1; AltName: Full=Cytosolic inhibitor of Nrf2; Short=INrf2" . . . . . 99.66 624 100.00 100.00 0.00e+00 . . . . 18353 1 27 no TPG DAA27941 . "TPA: kelch-like ECH-associated protein 1 [Bos taurus]" . . . . . 99.66 624 97.23 99.31 0.00e+00 . . . . 18353 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 1 323 GLY . 18353 1 2 324 VAL . 18353 1 3 325 GLY . 18353 1 4 326 ARG . 18353 1 5 327 LEU . 18353 1 6 328 ILE . 18353 1 7 329 TYR . 18353 1 8 330 THR . 18353 1 9 331 ALA . 18353 1 10 332 GLY . 18353 1 11 333 GLY . 18353 1 12 334 TYR . 18353 1 13 335 PHE . 18353 1 14 336 ARG . 18353 1 15 337 GLN . 18353 1 16 338 SER . 18353 1 17 339 LEU . 18353 1 18 340 SER . 18353 1 19 341 TYR . 18353 1 20 342 LEU . 18353 1 21 343 GLU . 18353 1 22 344 ALA . 18353 1 23 345 TYR . 18353 1 24 346 ASN . 18353 1 25 347 PRO . 18353 1 26 348 SER . 18353 1 27 349 ASN . 18353 1 28 350 GLY . 18353 1 29 351 SER . 18353 1 30 352 TRP . 18353 1 31 353 LEU . 18353 1 32 354 ARG . 18353 1 33 355 LEU . 18353 1 34 356 ALA . 18353 1 35 357 ASP . 18353 1 36 358 LEU . 18353 1 37 359 GLN . 18353 1 38 360 VAL . 18353 1 39 361 PRO . 18353 1 40 362 ARG . 18353 1 41 363 SER . 18353 1 42 364 GLY . 18353 1 43 365 LEU . 18353 1 44 366 ALA . 18353 1 45 367 GLY . 18353 1 46 368 CYS . 18353 1 47 369 VAL . 18353 1 48 370 VAL . 18353 1 49 371 GLY . 18353 1 50 372 GLY . 18353 1 51 373 LEU . 18353 1 52 374 LEU . 18353 1 53 375 TYR . 18353 1 54 376 ALA . 18353 1 55 377 VAL . 18353 1 56 378 GLY . 18353 1 57 379 GLY . 18353 1 58 380 ARG . 18353 1 59 381 ASN . 18353 1 60 382 ASN . 18353 1 61 383 SER . 18353 1 62 384 PRO . 18353 1 63 385 ASP . 18353 1 64 386 GLY . 18353 1 65 387 ASN . 18353 1 66 388 THR . 18353 1 67 389 ASP . 18353 1 68 390 SER . 18353 1 69 391 SER . 18353 1 70 392 ALA . 18353 1 71 393 LEU . 18353 1 72 394 ASP . 18353 1 73 395 CYS . 18353 1 74 396 TYR . 18353 1 75 397 ASN . 18353 1 76 398 PRO . 18353 1 77 399 MET . 18353 1 78 400 THR . 18353 1 79 401 ASN . 18353 1 80 402 GLN . 18353 1 81 403 TRP . 18353 1 82 404 SER . 18353 1 83 405 PRO . 18353 1 84 406 CYS . 18353 1 85 407 ALA . 18353 1 86 408 SER . 18353 1 87 409 MET . 18353 1 88 410 SER . 18353 1 89 411 VAL . 18353 1 90 412 PRO . 18353 1 91 413 ARG . 18353 1 92 414 ASN . 18353 1 93 415 ARG . 18353 1 94 416 ILE . 18353 1 95 417 GLY . 18353 1 96 418 VAL . 18353 1 97 419 GLY . 18353 1 98 420 VAL . 18353 1 99 421 ILE . 18353 1 100 422 ASP . 18353 1 101 423 GLY . 18353 1 102 424 HIS . 18353 1 103 425 ILE . 18353 1 104 426 TYR . 18353 1 105 427 ALA . 18353 1 106 428 VAL . 18353 1 107 429 GLY . 18353 1 108 430 GLY . 18353 1 109 431 SER . 18353 1 110 432 HIS . 18353 1 111 433 GLY . 18353 1 112 434 CYS . 18353 1 113 435 ILE . 18353 1 114 436 HIS . 18353 1 115 437 HIS . 18353 1 116 438 SER . 18353 1 117 439 SER . 18353 1 118 440 VAL . 18353 1 119 441 GLU . 18353 1 120 442 ARG . 18353 1 121 443 TYR . 18353 1 122 444 GLU . 18353 1 123 445 PRO . 18353 1 124 446 GLU . 18353 1 125 447 ARG . 18353 1 126 448 ASP . 18353 1 127 449 GLU . 18353 1 128 450 TRP . 18353 1 129 451 HIS . 18353 1 130 452 LEU . 18353 1 131 453 VAL . 18353 1 132 454 ALA . 18353 1 133 455 PRO . 18353 1 134 456 MET . 18353 1 135 457 LEU . 18353 1 136 458 THR . 18353 1 137 459 ARG . 18353 1 138 460 ARG . 18353 1 139 461 ILE . 18353 1 140 462 GLY . 18353 1 141 463 VAL . 18353 1 142 464 GLY . 18353 1 143 465 VAL . 18353 1 144 466 ALA . 18353 1 145 467 VAL . 18353 1 146 468 LEU . 18353 1 147 469 ASN . 18353 1 148 470 ARG . 18353 1 149 471 LEU . 18353 1 150 472 LEU . 18353 1 151 473 TYR . 18353 1 152 474 ALA . 18353 1 153 475 VAL . 18353 1 154 476 GLY . 18353 1 155 477 GLY . 18353 1 156 478 PHE . 18353 1 157 479 ASP . 18353 1 158 480 GLY . 18353 1 159 481 THR . 18353 1 160 482 ASN . 18353 1 161 483 ARG . 18353 1 162 484 LEU . 18353 1 163 485 ASN . 18353 1 164 486 SER . 18353 1 165 487 ALA . 18353 1 166 488 GLU . 18353 1 167 489 CYS . 18353 1 168 490 TYR . 18353 1 169 491 TYR . 18353 1 170 492 PRO . 18353 1 171 493 GLU . 18353 1 172 494 ARG . 18353 1 173 495 ASN . 18353 1 174 496 GLU . 18353 1 175 497 TRP . 18353 1 176 498 ARG . 18353 1 177 499 MET . 18353 1 178 500 ILE . 18353 1 179 501 THR . 18353 1 180 502 PRO . 18353 1 181 503 MET . 18353 1 182 504 ASN . 18353 1 183 505 THR . 18353 1 184 506 ILE . 18353 1 185 507 ARG . 18353 1 186 508 SER . 18353 1 187 509 GLY . 18353 1 188 510 ALA . 18353 1 189 511 GLY . 18353 1 190 512 VAL . 18353 1 191 513 CYS . 18353 1 192 514 VAL . 18353 1 193 515 LEU . 18353 1 194 516 HIS . 18353 1 195 517 ASN . 18353 1 196 518 CYS . 18353 1 197 519 ILE . 18353 1 198 520 TYR . 18353 1 199 521 ALA . 18353 1 200 522 ALA . 18353 1 201 523 GLY . 18353 1 202 524 GLY . 18353 1 203 525 TYR . 18353 1 204 526 ASP . 18353 1 205 527 GLY . 18353 1 206 528 GLN . 18353 1 207 529 ASP . 18353 1 208 530 GLN . 18353 1 209 531 LEU . 18353 1 210 532 ASN . 18353 1 211 533 SER . 18353 1 212 534 VAL . 18353 1 213 535 GLU . 18353 1 214 536 ARG . 18353 1 215 537 TYR . 18353 1 216 538 ASP . 18353 1 217 539 VAL . 18353 1 218 540 GLU . 18353 1 219 541 THR . 18353 1 220 542 GLU . 18353 1 221 543 THR . 18353 1 222 544 TRP . 18353 1 223 545 THR . 18353 1 224 546 PHE . 18353 1 225 547 VAL . 18353 1 226 548 ALA . 18353 1 227 549 PRO . 18353 1 228 550 MET . 18353 1 229 551 ARG . 18353 1 230 552 HIS . 18353 1 231 553 HIS . 18353 1 232 554 ARG . 18353 1 233 555 SER . 18353 1 234 556 ALA . 18353 1 235 557 LEU . 18353 1 236 558 GLY . 18353 1 237 559 ILE . 18353 1 238 560 THR . 18353 1 239 561 VAL . 18353 1 240 562 HIS . 18353 1 241 563 GLN . 18353 1 242 564 GLY . 18353 1 243 565 LYS . 18353 1 244 566 ILE . 18353 1 245 567 TYR . 18353 1 246 568 VAL . 18353 1 247 569 LEU . 18353 1 248 570 GLY . 18353 1 249 571 GLY . 18353 1 250 572 TYR . 18353 1 251 573 ASP . 18353 1 252 574 GLY . 18353 1 253 575 HIS . 18353 1 254 576 THR . 18353 1 255 577 PHE . 18353 1 256 578 LEU . 18353 1 257 579 ASP . 18353 1 258 580 SER . 18353 1 259 581 VAL . 18353 1 260 582 GLU . 18353 1 261 583 CYS . 18353 1 262 584 TYR . 18353 1 263 585 ASP . 18353 1 264 586 PRO . 18353 1 265 587 ASP . 18353 1 266 588 SER . 18353 1 267 589 ASP . 18353 1 268 590 THR . 18353 1 269 591 TRP . 18353 1 270 592 SER . 18353 1 271 593 GLU . 18353 1 272 594 VAL . 18353 1 273 595 THR . 18353 1 274 596 ARG . 18353 1 275 597 MET . 18353 1 276 598 THR . 18353 1 277 599 SER . 18353 1 278 600 GLY . 18353 1 279 601 ARG . 18353 1 280 602 SER . 18353 1 281 603 GLY . 18353 1 282 604 VAL . 18353 1 283 605 GLY . 18353 1 284 606 VAL . 18353 1 285 607 ALA . 18353 1 286 608 VAL . 18353 1 287 609 THR . 18353 1 288 610 MET . 18353 1 289 611 GLU . 18353 1 290 612 PRO . 18353 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 18353 1 . VAL 2 2 18353 1 . GLY 3 3 18353 1 . ARG 4 4 18353 1 . LEU 5 5 18353 1 . ILE 6 6 18353 1 . TYR 7 7 18353 1 . THR 8 8 18353 1 . ALA 9 9 18353 1 . GLY 10 10 18353 1 . GLY 11 11 18353 1 . TYR 12 12 18353 1 . PHE 13 13 18353 1 . ARG 14 14 18353 1 . GLN 15 15 18353 1 . SER 16 16 18353 1 . LEU 17 17 18353 1 . SER 18 18 18353 1 . TYR 19 19 18353 1 . LEU 20 20 18353 1 . GLU 21 21 18353 1 . ALA 22 22 18353 1 . TYR 23 23 18353 1 . ASN 24 24 18353 1 . PRO 25 25 18353 1 . SER 26 26 18353 1 . ASN 27 27 18353 1 . GLY 28 28 18353 1 . SER 29 29 18353 1 . TRP 30 30 18353 1 . LEU 31 31 18353 1 . ARG 32 32 18353 1 . LEU 33 33 18353 1 . ALA 34 34 18353 1 . ASP 35 35 18353 1 . LEU 36 36 18353 1 . GLN 37 37 18353 1 . VAL 38 38 18353 1 . PRO 39 39 18353 1 . ARG 40 40 18353 1 . SER 41 41 18353 1 . GLY 42 42 18353 1 . LEU 43 43 18353 1 . ALA 44 44 18353 1 . GLY 45 45 18353 1 . CYS 46 46 18353 1 . VAL 47 47 18353 1 . VAL 48 48 18353 1 . GLY 49 49 18353 1 . GLY 50 50 18353 1 . LEU 51 51 18353 1 . LEU 52 52 18353 1 . TYR 53 53 18353 1 . ALA 54 54 18353 1 . VAL 55 55 18353 1 . GLY 56 56 18353 1 . GLY 57 57 18353 1 . ARG 58 58 18353 1 . ASN 59 59 18353 1 . ASN 60 60 18353 1 . SER 61 61 18353 1 . PRO 62 62 18353 1 . ASP 63 63 18353 1 . GLY 64 64 18353 1 . ASN 65 65 18353 1 . THR 66 66 18353 1 . ASP 67 67 18353 1 . SER 68 68 18353 1 . SER 69 69 18353 1 . ALA 70 70 18353 1 . LEU 71 71 18353 1 . ASP 72 72 18353 1 . CYS 73 73 18353 1 . TYR 74 74 18353 1 . ASN 75 75 18353 1 . PRO 76 76 18353 1 . MET 77 77 18353 1 . THR 78 78 18353 1 . ASN 79 79 18353 1 . GLN 80 80 18353 1 . TRP 81 81 18353 1 . SER 82 82 18353 1 . PRO 83 83 18353 1 . CYS 84 84 18353 1 . ALA 85 85 18353 1 . SER 86 86 18353 1 . MET 87 87 18353 1 . SER 88 88 18353 1 . VAL 89 89 18353 1 . PRO 90 90 18353 1 . ARG 91 91 18353 1 . ASN 92 92 18353 1 . ARG 93 93 18353 1 . ILE 94 94 18353 1 . GLY 95 95 18353 1 . VAL 96 96 18353 1 . GLY 97 97 18353 1 . VAL 98 98 18353 1 . ILE 99 99 18353 1 . ASP 100 100 18353 1 . GLY 101 101 18353 1 . HIS 102 102 18353 1 . ILE 103 103 18353 1 . TYR 104 104 18353 1 . ALA 105 105 18353 1 . VAL 106 106 18353 1 . GLY 107 107 18353 1 . GLY 108 108 18353 1 . SER 109 109 18353 1 . HIS 110 110 18353 1 . GLY 111 111 18353 1 . CYS 112 112 18353 1 . ILE 113 113 18353 1 . HIS 114 114 18353 1 . HIS 115 115 18353 1 . SER 116 116 18353 1 . SER 117 117 18353 1 . VAL 118 118 18353 1 . GLU 119 119 18353 1 . ARG 120 120 18353 1 . TYR 121 121 18353 1 . GLU 122 122 18353 1 . PRO 123 123 18353 1 . GLU 124 124 18353 1 . ARG 125 125 18353 1 . ASP 126 126 18353 1 . GLU 127 127 18353 1 . TRP 128 128 18353 1 . HIS 129 129 18353 1 . LEU 130 130 18353 1 . VAL 131 131 18353 1 . ALA 132 132 18353 1 . PRO 133 133 18353 1 . MET 134 134 18353 1 . LEU 135 135 18353 1 . THR 136 136 18353 1 . ARG 137 137 18353 1 . ARG 138 138 18353 1 . ILE 139 139 18353 1 . GLY 140 140 18353 1 . VAL 141 141 18353 1 . GLY 142 142 18353 1 . VAL 143 143 18353 1 . ALA 144 144 18353 1 . VAL 145 145 18353 1 . LEU 146 146 18353 1 . ASN 147 147 18353 1 . ARG 148 148 18353 1 . LEU 149 149 18353 1 . LEU 150 150 18353 1 . TYR 151 151 18353 1 . ALA 152 152 18353 1 . VAL 153 153 18353 1 . GLY 154 154 18353 1 . GLY 155 155 18353 1 . PHE 156 156 18353 1 . ASP 157 157 18353 1 . GLY 158 158 18353 1 . THR 159 159 18353 1 . ASN 160 160 18353 1 . ARG 161 161 18353 1 . LEU 162 162 18353 1 . ASN 163 163 18353 1 . SER 164 164 18353 1 . ALA 165 165 18353 1 . GLU 166 166 18353 1 . CYS 167 167 18353 1 . TYR 168 168 18353 1 . TYR 169 169 18353 1 . PRO 170 170 18353 1 . GLU 171 171 18353 1 . ARG 172 172 18353 1 . ASN 173 173 18353 1 . GLU 174 174 18353 1 . TRP 175 175 18353 1 . ARG 176 176 18353 1 . MET 177 177 18353 1 . ILE 178 178 18353 1 . THR 179 179 18353 1 . PRO 180 180 18353 1 . MET 181 181 18353 1 . ASN 182 182 18353 1 . THR 183 183 18353 1 . ILE 184 184 18353 1 . ARG 185 185 18353 1 . SER 186 186 18353 1 . GLY 187 187 18353 1 . ALA 188 188 18353 1 . GLY 189 189 18353 1 . VAL 190 190 18353 1 . CYS 191 191 18353 1 . VAL 192 192 18353 1 . LEU 193 193 18353 1 . HIS 194 194 18353 1 . ASN 195 195 18353 1 . CYS 196 196 18353 1 . ILE 197 197 18353 1 . TYR 198 198 18353 1 . ALA 199 199 18353 1 . ALA 200 200 18353 1 . GLY 201 201 18353 1 . GLY 202 202 18353 1 . TYR 203 203 18353 1 . ASP 204 204 18353 1 . GLY 205 205 18353 1 . GLN 206 206 18353 1 . ASP 207 207 18353 1 . GLN 208 208 18353 1 . LEU 209 209 18353 1 . ASN 210 210 18353 1 . SER 211 211 18353 1 . VAL 212 212 18353 1 . GLU 213 213 18353 1 . ARG 214 214 18353 1 . TYR 215 215 18353 1 . ASP 216 216 18353 1 . VAL 217 217 18353 1 . GLU 218 218 18353 1 . THR 219 219 18353 1 . GLU 220 220 18353 1 . THR 221 221 18353 1 . TRP 222 222 18353 1 . THR 223 223 18353 1 . PHE 224 224 18353 1 . VAL 225 225 18353 1 . ALA 226 226 18353 1 . PRO 227 227 18353 1 . MET 228 228 18353 1 . ARG 229 229 18353 1 . HIS 230 230 18353 1 . HIS 231 231 18353 1 . ARG 232 232 18353 1 . SER 233 233 18353 1 . ALA 234 234 18353 1 . LEU 235 235 18353 1 . GLY 236 236 18353 1 . ILE 237 237 18353 1 . THR 238 238 18353 1 . VAL 239 239 18353 1 . HIS 240 240 18353 1 . GLN 241 241 18353 1 . GLY 242 242 18353 1 . LYS 243 243 18353 1 . ILE 244 244 18353 1 . TYR 245 245 18353 1 . VAL 246 246 18353 1 . LEU 247 247 18353 1 . GLY 248 248 18353 1 . GLY 249 249 18353 1 . TYR 250 250 18353 1 . ASP 251 251 18353 1 . GLY 252 252 18353 1 . HIS 253 253 18353 1 . THR 254 254 18353 1 . PHE 255 255 18353 1 . LEU 256 256 18353 1 . ASP 257 257 18353 1 . SER 258 258 18353 1 . VAL 259 259 18353 1 . GLU 260 260 18353 1 . CYS 261 261 18353 1 . TYR 262 262 18353 1 . ASP 263 263 18353 1 . PRO 264 264 18353 1 . ASP 265 265 18353 1 . SER 266 266 18353 1 . ASP 267 267 18353 1 . THR 268 268 18353 1 . TRP 269 269 18353 1 . SER 270 270 18353 1 . GLU 271 271 18353 1 . VAL 272 272 18353 1 . THR 273 273 18353 1 . ARG 274 274 18353 1 . MET 275 275 18353 1 . THR 276 276 18353 1 . SER 277 277 18353 1 . GLY 278 278 18353 1 . ARG 279 279 18353 1 . SER 280 280 18353 1 . GLY 281 281 18353 1 . VAL 282 282 18353 1 . GLY 283 283 18353 1 . VAL 284 284 18353 1 . ALA 285 285 18353 1 . VAL 286 286 18353 1 . THR 287 287 18353 1 . MET 288 288 18353 1 . GLU 289 289 18353 1 . PRO 290 290 18353 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 18353 _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 $Kelch_domain . 10090 organism . 'Mus musculus' 'House Mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18353 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 18353 _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 $Kelch_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST17 . . . . . . 18353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18353 _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 'Kelch domain' '[U-13C; U-15N; U-2H]' . . 1 $Kelch_domain . . . 0.2 0.3 mM . . . . 18353 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18353 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18353 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18353 _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' 0.05 . M 18353 1 pH 7 . pH 18353 1 pressure 1 . atm 18353 1 temperature 298 . K 18353 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18353 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18353 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18353 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18353 _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' . . 18353 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18353 2 'data analysis' 18353 2 'peak picking' 18353 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18353 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18353 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18353 3 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 18353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18353 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18353 _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 Varian INOVA . 800 . . . 18353 1 2 spectrometer_2 Bruker Avance . 800 . . . 18353 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 18353 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18353 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18353 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18353 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18353 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18353 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18353 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18353 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 18353 _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 . . . . . . . . . 18353 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18353 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18353 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 18353 _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' . . . 18353 1 2 '3D HNCA' . . . 18353 1 3 '3D HN(CO)CA' . . . 18353 1 4 '3D HNCACB' . . . 18353 1 5 '3D 1H-15N NOESY' . . . 18353 1 7 '3D HN(CO)CACB' . . . 18353 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 GLY H H 1 8.583 0.020 . 1 . . . . 325 GLY H . 18353 1 2 . 1 1 3 3 GLY CA C 13 44.305 0.3 . 1 . . . . 325 GLY CA . 18353 1 3 . 1 1 3 3 GLY N N 15 112.356 0.3 . 1 . . . . 325 GLY N . 18353 1 4 . 1 1 4 4 ARG H H 1 8.239 0.020 . 1 . . . . 326 ARG H . 18353 1 5 . 1 1 4 4 ARG CA C 13 54.965 0.3 . 1 . . . . 326 ARG CA . 18353 1 6 . 1 1 4 4 ARG CB C 13 30.845 0.3 . 1 . . . . 326 ARG CB . 18353 1 7 . 1 1 4 4 ARG N N 15 121.075 0.3 . 1 . . . . 326 ARG N . 18353 1 8 . 1 1 5 5 LEU H H 1 8.137 0.020 . 1 . . . . 327 LEU H . 18353 1 9 . 1 1 5 5 LEU CA C 13 52.171 0.3 . 1 . . . . 327 LEU CA . 18353 1 10 . 1 1 5 5 LEU CB C 13 43.536 0.3 . 1 . . . . 327 LEU CB . 18353 1 11 . 1 1 5 5 LEU N N 15 120.229 0.3 . 1 . . . . 327 LEU N . 18353 1 12 . 1 1 6 6 ILE H H 1 8.129 0.020 . 1 . . . . 328 ILE H . 18353 1 13 . 1 1 6 6 ILE CA C 13 60.806 0.3 . 1 . . . . 328 ILE CA . 18353 1 14 . 1 1 6 6 ILE CB C 13 38.462 0.3 . 1 . . . . 328 ILE CB . 18353 1 15 . 1 1 6 6 ILE N N 15 118.407 0.3 . 1 . . . . 328 ILE N . 18353 1 16 . 1 1 7 7 TYR H H 1 9.242 0.020 . 1 . . . . 329 TYR H . 18353 1 17 . 1 1 7 7 TYR CA C 13 57.506 0.3 . 1 . . . . 329 TYR CA . 18353 1 18 . 1 1 7 7 TYR CB C 13 39.730 0.3 . 1 . . . . 329 TYR CB . 18353 1 19 . 1 1 7 7 TYR N N 15 127.125 0.3 . 1 . . . . 329 TYR N . 18353 1 20 . 1 1 8 8 THR H H 1 9.220 0.020 . 1 . . . . 330 THR H . 18353 1 21 . 1 1 8 8 THR CA C 13 58.773 0.3 . 1 . . . . 330 THR CA . 18353 1 22 . 1 1 8 8 THR CB C 13 69.944 0.3 . 1 . . . . 330 THR CB . 18353 1 23 . 1 1 8 8 THR N N 15 114.764 0.3 . 1 . . . . 330 THR N . 18353 1 24 . 1 1 9 9 ALA H H 1 9.718 0.020 . 1 . . . . 331 ALA H . 18353 1 25 . 1 1 9 9 ALA CA C 13 48.863 0.3 . 1 . . . . 331 ALA CA . 18353 1 26 . 1 1 9 9 ALA CB C 13 20.692 0.3 . 1 . . . . 331 ALA CB . 18353 1 27 . 1 1 9 9 ALA N N 15 133.046 0.3 . 1 . . . . 331 ALA N . 18353 1 28 . 1 1 10 10 GLY H H 1 9.293 0.020 . 1 . . . . 332 GLY H . 18353 1 29 . 1 1 10 10 GLY CA C 13 45.066 0.3 . 1 . . . . 332 GLY CA . 18353 1 30 . 1 1 10 10 GLY N N 15 108.680 0.3 . 1 . . . . 332 GLY N . 18353 1 31 . 1 1 11 11 GLY H H 1 9.081 0.020 . 1 . . . . 333 GLY H . 18353 1 32 . 1 1 11 11 GLY CA C 13 42.781 0.3 . 1 . . . . 333 GLY CA . 18353 1 33 . 1 1 11 11 GLY N N 15 106.371 0.3 . 1 . . . . 333 GLY N . 18353 1 34 . 1 1 12 12 TYR H H 1 9.410 0.020 . 1 . . . . 334 TYR H . 18353 1 35 . 1 1 12 12 TYR CA C 13 56.999 0.3 . 1 . . . . 334 TYR CA . 18353 1 36 . 1 1 12 12 TYR CB C 13 41.001 0.3 . 1 . . . . 334 TYR CB . 18353 1 37 . 1 1 12 12 TYR N N 15 122.018 0.3 . 1 . . . . 334 TYR N . 18353 1 38 . 1 1 13 13 PHE H H 1 6.914 0.020 . 1 . . . . 335 PHE H . 18353 1 39 . 1 1 13 13 PHE CA C 13 58.774 0.3 . 1 . . . . 335 PHE CA . 18353 1 40 . 1 1 13 13 PHE CB C 13 37.953 0.3 . 1 . . . . 335 PHE CB . 18353 1 41 . 1 1 13 13 PHE N N 15 124.133 0.3 . 1 . . . . 335 PHE N . 18353 1 42 . 1 1 14 14 ARG H H 1 6.321 0.020 . 1 . . . . 336 ARG H . 18353 1 43 . 1 1 14 14 ARG CA C 13 59.786 0.3 . 1 . . . . 336 ARG CA . 18353 1 44 . 1 1 14 14 ARG N N 15 121.595 0.3 . 1 . . . . 336 ARG N . 18353 1 45 . 1 1 15 15 GLN H H 1 7.229 0.020 . 1 . . . . 337 GLN H . 18353 1 46 . 1 1 15 15 GLN CA C 13 53.439 0.3 . 1 . . . . 337 GLN CA . 18353 1 47 . 1 1 15 15 GLN CB C 13 30.336 0.3 . 1 . . . . 337 GLN CB . 18353 1 48 . 1 1 15 15 GLN N N 15 113.397 0.3 . 1 . . . . 337 GLN N . 18353 1 49 . 1 1 16 16 SER H H 1 9.008 0.020 . 1 . . . . 338 SER H . 18353 1 50 . 1 1 16 16 SER CA C 13 60.298 0.3 . 1 . . . . 338 SER CA . 18353 1 51 . 1 1 16 16 SER CB C 13 61.821 0.3 . 1 . . . . 338 SER CB . 18353 1 52 . 1 1 16 16 SER N N 15 117.041 0.3 . 1 . . . . 338 SER N . 18353 1 53 . 1 1 17 17 LEU H H 1 8.525 0.020 . 1 . . . . 339 LEU H . 18353 1 54 . 1 1 17 17 LEU CA C 13 53.190 0.3 . 1 . . . . 339 LEU CA . 18353 1 55 . 1 1 17 17 LEU CB C 13 44.044 0.3 . 1 . . . . 339 LEU CB . 18353 1 56 . 1 1 17 17 LEU N N 15 122.864 0.3 . 1 . . . . 339 LEU N . 18353 1 57 . 1 1 18 18 SER H H 1 8.349 0.020 . 1 . . . . 340 SER H . 18353 1 58 . 1 1 18 18 SER CA C 13 56.487 0.3 . 1 . . . . 340 SER CA . 18353 1 59 . 1 1 18 18 SER CB C 13 62.838 0.3 . 1 . . . . 340 SER CB . 18353 1 60 . 1 1 18 18 SER N N 15 111.999 0.3 . 1 . . . . 340 SER N . 18353 1 61 . 1 1 19 19 TYR H H 1 5.919 0.020 . 1 . . . . 341 TYR H . 18353 1 62 . 1 1 19 19 TYR CA C 13 56.487 0.3 . 1 . . . . 341 TYR CA . 18353 1 63 . 1 1 19 19 TYR CB C 13 38.714 0.3 . 1 . . . . 341 TYR CB . 18353 1 64 . 1 1 19 19 TYR N N 15 116.651 0.3 . 1 . . . . 341 TYR N . 18353 1 65 . 1 1 20 20 LEU H H 1 9.769 0.020 . 1 . . . . 342 LEU H . 18353 1 66 . 1 1 20 20 LEU CA C 13 54.966 0.3 . 1 . . . . 342 LEU CA . 18353 1 67 . 1 1 20 20 LEU CB C 13 42.272 0.3 . 1 . . . . 342 LEU CB . 18353 1 68 . 1 1 20 20 LEU N N 15 125.727 0.3 . 1 . . . . 342 LEU N . 18353 1 69 . 1 1 21 21 GLU H H 1 8.781 0.020 . 1 . . . . 343 GLU H . 18353 1 70 . 1 1 21 21 GLU CA C 13 53.186 0.3 . 1 . . . . 343 GLU CA . 18353 1 71 . 1 1 21 21 GLU CB C 13 35.416 0.3 . 1 . . . . 343 GLU CB . 18353 1 72 . 1 1 21 21 GLU N N 15 124.295 0.3 . 1 . . . . 343 GLU N . 18353 1 73 . 1 1 22 22 ALA H H 1 9.066 0.020 . 1 . . . . 344 ALA H . 18353 1 74 . 1 1 22 22 ALA CA C 13 49.380 0.3 . 1 . . . . 344 ALA CA . 18353 1 75 . 1 1 22 22 ALA CB C 13 22.212 0.3 . 1 . . . . 344 ALA CB . 18353 1 76 . 1 1 22 22 ALA N N 15 121.986 0.3 . 1 . . . . 344 ALA N . 18353 1 77 . 1 1 23 23 TYR H H 1 9.110 0.020 . 1 . . . . 345 TYR H . 18353 1 78 . 1 1 23 23 TYR CA C 13 53.697 0.3 . 1 . . . . 345 TYR CA . 18353 1 79 . 1 1 23 23 TYR CB C 13 38.719 0.3 . 1 . . . . 345 TYR CB . 18353 1 80 . 1 1 23 23 TYR N N 15 125.954 0.3 . 1 . . . . 345 TYR N . 18353 1 81 . 1 1 24 24 ASN H H 1 7.624 0.020 . 1 . . . . 346 ASN H . 18353 1 82 . 1 1 24 24 ASN CA C 13 47.853 0.3 . 1 . . . . 346 ASN CA . 18353 1 83 . 1 1 24 24 ASN CB C 13 38.204 0.3 . 1 . . . . 346 ASN CB . 18353 1 84 . 1 1 24 24 ASN N N 15 125.304 0.3 . 1 . . . . 346 ASN N . 18353 1 85 . 1 1 25 25 PRO CA C 13 62.589 0.3 . 1 . . . . 347 PRO CA . 18353 1 86 . 1 1 25 25 PRO CB C 13 30.880 0.3 . 1 . . . . 347 PRO CB . 18353 1 87 . 1 1 26 26 SER H H 1 7.712 0.020 . 1 . . . . 348 SER H . 18353 1 88 . 1 1 26 26 SER CA C 13 60.044 0.3 . 1 . . . . 348 SER CA . 18353 1 89 . 1 1 26 26 SER CB C 13 62.076 0.3 . 1 . . . . 348 SER CB . 18353 1 90 . 1 1 26 26 SER N N 15 111.055 0.3 . 1 . . . . 348 SER N . 18353 1 91 . 1 1 27 27 ASN H H 1 6.687 0.020 . 1 . . . . 349 ASN H . 18353 1 92 . 1 1 27 27 ASN CA C 13 51.159 0.3 . 1 . . . . 349 ASN CA . 18353 1 93 . 1 1 27 27 ASN CB C 13 38.211 0.3 . 1 . . . . 349 ASN CB . 18353 1 94 . 1 1 27 27 ASN N N 15 114.308 0.3 . 1 . . . . 349 ASN N . 18353 1 95 . 1 1 28 28 GLY H H 1 8.129 0.020 . 1 . . . . 350 GLY H . 18353 1 96 . 1 1 28 28 GLY CA C 13 45.572 0.3 . 1 . . . . 350 GLY CA . 18353 1 97 . 1 1 28 28 GLY N N 15 109.689 0.3 . 1 . . . . 350 GLY N . 18353 1 98 . 1 1 29 29 SER H H 1 7.683 0.020 . 1 . . . . 351 SER H . 18353 1 99 . 1 1 29 29 SER CA C 13 58.011 0.3 . 1 . . . . 351 SER CA . 18353 1 100 . 1 1 29 29 SER CB C 13 64.870 0.3 . 1 . . . . 351 SER CB . 18353 1 101 . 1 1 29 29 SER N N 15 115.252 0.3 . 1 . . . . 351 SER N . 18353 1 102 . 1 1 30 30 TRP H H 1 8.561 0.020 . 1 . . . . 352 TRP H . 18353 1 103 . 1 1 30 30 TRP CA C 13 56.235 0.3 . 1 . . . . 352 TRP CA . 18353 1 104 . 1 1 30 30 TRP CB C 13 31.098 0.3 . 1 . . . . 352 TRP CB . 18353 1 105 . 1 1 30 30 TRP N N 15 121.498 0.3 . 1 . . . . 352 TRP N . 18353 1 106 . 1 1 31 31 LEU H H 1 9.344 0.020 . 1 . . . . 353 LEU H . 18353 1 107 . 1 1 31 31 LEU CA C 13 53.440 0.3 . 1 . . . . 353 LEU CA . 18353 1 108 . 1 1 31 31 LEU CB C 13 44.812 0.3 . 1 . . . . 353 LEU CB . 18353 1 109 . 1 1 31 31 LEU N N 15 123.742 0.3 . 1 . . . . 353 LEU N . 18353 1 110 . 1 1 32 32 ARG H H 1 8.817 0.020 . 1 . . . . 354 ARG H . 18353 1 111 . 1 1 32 32 ARG CA C 13 55.727 0.3 . 1 . . . . 354 ARG CA . 18353 1 112 . 1 1 32 32 ARG CB C 13 29.322 0.3 . 1 . . . . 354 ARG CB . 18353 1 113 . 1 1 32 32 ARG N N 15 125.889 0.3 . 1 . . . . 354 ARG N . 18353 1 114 . 1 1 33 33 LEU H H 1 8.605 0.020 . 1 . . . . 355 LEU H . 18353 1 115 . 1 1 33 33 LEU CA C 13 52.681 0.3 . 1 . . . . 355 LEU CA . 18353 1 116 . 1 1 33 33 LEU CB C 13 41.765 0.3 . 1 . . . . 355 LEU CB . 18353 1 117 . 1 1 33 33 LEU N N 15 130.769 0.3 . 1 . . . . 355 LEU N . 18353 1 118 . 1 1 34 34 ALA H H 1 8.012 0.020 . 1 . . . . 356 ALA H . 18353 1 119 . 1 1 34 34 ALA CA C 13 53.450 0.3 . 1 . . . . 356 ALA CA . 18353 1 120 . 1 1 34 34 ALA CB C 13 18.406 0.3 . 1 . . . . 356 ALA CB . 18353 1 121 . 1 1 34 34 ALA N N 15 125.271 0.3 . 1 . . . . 356 ALA N . 18353 1 122 . 1 1 35 35 ASP H H 1 7.946 0.020 . 1 . . . . 357 ASP H . 18353 1 123 . 1 1 35 35 ASP CA C 13 53.694 0.3 . 1 . . . . 357 ASP CA . 18353 1 124 . 1 1 35 35 ASP CB C 13 40.748 0.3 . 1 . . . . 357 ASP CB . 18353 1 125 . 1 1 35 35 ASP N N 15 120.066 0.3 . 1 . . . . 357 ASP N . 18353 1 126 . 1 1 36 36 LEU H H 1 8.378 0.020 . 1 . . . . 358 LEU H . 18353 1 127 . 1 1 36 36 LEU CA C 13 55.219 0.3 . 1 . . . . 358 LEU CA . 18353 1 128 . 1 1 36 36 LEU CB C 13 41.764 0.3 . 1 . . . . 358 LEU CB . 18353 1 129 . 1 1 36 36 LEU N N 15 118.602 0.3 . 1 . . . . 358 LEU N . 18353 1 130 . 1 1 37 37 GLN H H 1 8.041 0.020 . 1 . . . . 359 GLN H . 18353 1 131 . 1 1 37 37 GLN CA C 13 57.758 0.3 . 1 . . . . 359 GLN CA . 18353 1 132 . 1 1 37 37 GLN CB C 13 27.799 0.3 . 1 . . . . 359 GLN CB . 18353 1 133 . 1 1 37 37 GLN N N 15 119.578 0.3 . 1 . . . . 359 GLN N . 18353 1 134 . 1 1 38 38 VAL H H 1 7.266 0.020 . 1 . . . . 360 VAL H . 18353 1 135 . 1 1 38 38 VAL CA C 13 58.013 0.3 . 1 . . . . 360 VAL CA . 18353 1 136 . 1 1 38 38 VAL CB C 13 34.398 0.3 . 1 . . . . 360 VAL CB . 18353 1 137 . 1 1 38 38 VAL N N 15 117.399 0.3 . 1 . . . . 360 VAL N . 18353 1 138 . 1 1 39 39 PRO CA C 13 62.326 0.3 . 1 . . . . 361 PRO CA . 18353 1 139 . 1 1 39 39 PRO CB C 13 31.110 0.3 . 1 . . . . 361 PRO CB . 18353 1 140 . 1 1 40 40 ARG H H 1 7.558 0.020 . 1 . . . . 362 ARG H . 18353 1 141 . 1 1 40 40 ARG CA C 13 54.202 0.3 . 1 . . . . 362 ARG CA . 18353 1 142 . 1 1 40 40 ARG CB C 13 35.950 0.3 . 1 . . . . 362 ARG CB . 18353 1 143 . 1 1 40 40 ARG N N 15 116.814 0.3 . 1 . . . . 362 ARG N . 18353 1 144 . 1 1 41 41 SER H H 1 9.198 0.020 . 1 . . . . 363 SER H . 18353 1 145 . 1 1 41 41 SER CA C 13 56.236 0.3 . 1 . . . . 363 SER CA . 18353 1 146 . 1 1 41 41 SER CB C 13 65.886 0.3 . 1 . . . . 363 SER CB . 18353 1 147 . 1 1 41 41 SER N N 15 112.909 0.3 . 1 . . . . 363 SER N . 18353 1 148 . 1 1 42 42 GLY H H 1 9.542 0.020 . 1 . . . . 364 GLY H . 18353 1 149 . 1 1 42 42 GLY CA C 13 46.843 0.3 . 1 . . . . 364 GLY CA . 18353 1 150 . 1 1 42 42 GLY N N 15 109.949 0.3 . 1 . . . . 364 GLY N . 18353 1 151 . 1 1 43 43 LEU H H 1 6.790 0.020 . 1 . . . . 365 LEU H . 18353 1 152 . 1 1 43 43 LEU CA C 13 53.948 0.3 . 1 . . . . 365 LEU CA . 18353 1 153 . 1 1 43 43 LEU CB C 13 43.540 0.3 . 1 . . . . 365 LEU CB . 18353 1 154 . 1 1 43 43 LEU N N 15 116.325 0.3 . 1 . . . . 365 LEU N . 18353 1 155 . 1 1 44 44 ALA H H 1 8.137 0.020 . 1 . . . . 366 ALA H . 18353 1 156 . 1 1 44 44 ALA CA C 13 50.142 0.3 . 1 . . . . 366 ALA CA . 18353 1 157 . 1 1 44 44 ALA CB C 13 23.479 0.3 . 1 . . . . 366 ALA CB . 18353 1 158 . 1 1 44 44 ALA N N 15 117.952 0.3 . 1 . . . . 366 ALA N . 18353 1 159 . 1 1 45 45 GLY H H 1 9.030 0.020 . 1 . . . . 367 GLY H . 18353 1 160 . 1 1 45 45 GLY CA C 13 42.269 0.3 . 1 . . . . 367 GLY CA . 18353 1 161 . 1 1 45 45 GLY N N 15 106.566 0.3 . 1 . . . . 367 GLY N . 18353 1 162 . 1 1 46 46 CYS H H 1 8.576 0.020 . 1 . . . . 368 CYS H . 18353 1 163 . 1 1 46 46 CYS CA C 13 56.235 0.3 . 1 . . . . 368 CYS CA . 18353 1 164 . 1 1 46 46 CYS CB C 13 30.083 0.3 . 1 . . . . 368 CYS CB . 18353 1 165 . 1 1 46 46 CYS N N 15 111.283 0.3 . 1 . . . . 368 CYS N . 18353 1 166 . 1 1 47 47 VAL H H 1 8.656 0.020 . 1 . . . . 369 VAL H . 18353 1 167 . 1 1 47 47 VAL CA C 13 59.790 0.3 . 1 . . . . 369 VAL CA . 18353 1 168 . 1 1 47 47 VAL CB C 13 33.892 0.3 . 1 . . . . 369 VAL CB . 18353 1 169 . 1 1 47 47 VAL N N 15 120.782 0.3 . 1 . . . . 369 VAL N . 18353 1 170 . 1 1 48 48 VAL H H 1 8.568 0.020 . 1 . . . . 370 VAL H . 18353 1 171 . 1 1 48 48 VAL CA C 13 61.822 0.3 . 1 . . . . 370 VAL CA . 18353 1 172 . 1 1 48 48 VAL CB C 13 33.900 0.3 . 1 . . . . 370 VAL CB . 18353 1 173 . 1 1 48 48 VAL N N 15 124.783 0.3 . 1 . . . . 370 VAL N . 18353 1 174 . 1 1 50 50 GLY H H 1 8.239 0.020 . 1 . . . . 372 GLY H . 18353 1 175 . 1 1 50 50 GLY CA C 13 44.301 0.3 . 1 . . . . 372 GLY CA . 18353 1 176 . 1 1 50 50 GLY N N 15 106.436 0.3 . 1 . . . . 372 GLY N . 18353 1 177 . 1 1 51 51 LEU H H 1 7.470 0.020 . 1 . . . . 373 LEU H . 18353 1 178 . 1 1 51 51 LEU CA C 13 52.933 0.3 . 1 . . . . 373 LEU CA . 18353 1 179 . 1 1 51 51 LEU CB C 13 42.014 0.3 . 1 . . . . 373 LEU CB . 18353 1 180 . 1 1 51 51 LEU N N 15 120.912 0.3 . 1 . . . . 373 LEU N . 18353 1 181 . 1 1 52 52 LEU H H 1 7.858 0.020 . 1 . . . . 374 LEU H . 18353 1 182 . 1 1 52 52 LEU CA C 13 52.931 0.3 . 1 . . . . 374 LEU CA . 18353 1 183 . 1 1 52 52 LEU CB C 13 43.288 0.3 . 1 . . . . 374 LEU CB . 18353 1 184 . 1 1 52 52 LEU N N 15 122.441 0.3 . 1 . . . . 374 LEU N . 18353 1 185 . 1 1 53 53 TYR H H 1 9.586 0.020 . 1 . . . . 375 TYR H . 18353 1 186 . 1 1 53 53 TYR CA C 13 56.490 0.3 . 1 . . . . 375 TYR CA . 18353 1 187 . 1 1 53 53 TYR CB C 13 39.224 0.3 . 1 . . . . 375 TYR CB . 18353 1 188 . 1 1 53 53 TYR N N 15 125.011 0.3 . 1 . . . . 375 TYR N . 18353 1 189 . 1 1 54 54 ALA H H 1 9.052 0.020 . 1 . . . . 376 ALA H . 18353 1 190 . 1 1 54 54 ALA CA C 13 49.886 0.3 . 1 . . . . 376 ALA CA . 18353 1 191 . 1 1 54 54 ALA CB C 13 20.436 0.3 . 1 . . . . 376 ALA CB . 18353 1 192 . 1 1 54 54 ALA N N 15 123.254 0.3 . 1 . . . . 376 ALA N . 18353 1 193 . 1 1 55 55 VAL H H 1 9.096 0.020 . 1 . . . . 377 VAL H . 18353 1 194 . 1 1 55 55 VAL CA C 13 60.291 0.3 . 1 . . . . 377 VAL CA . 18353 1 195 . 1 1 55 55 VAL CB C 13 33.637 0.3 . 1 . . . . 377 VAL CB . 18353 1 196 . 1 1 55 55 VAL N N 15 124.555 0.3 . 1 . . . . 377 VAL N . 18353 1 197 . 1 1 56 56 GLY H H 1 8.781 0.020 . 1 . . . . 378 GLY H . 18353 1 198 . 1 1 56 56 GLY CA C 13 45.570 0.3 . 1 . . . . 378 GLY CA . 18353 1 199 . 1 1 56 56 GLY N N 15 111.315 0.3 . 1 . . . . 378 GLY N . 18353 1 200 . 1 1 57 57 GLY H H 1 8.781 0.020 . 1 . . . . 379 GLY H . 18353 1 201 . 1 1 57 57 GLY CA C 13 43.539 0.3 . 1 . . . . 379 GLY CA . 18353 1 202 . 1 1 57 57 GLY N N 15 107.347 0.3 . 1 . . . . 379 GLY N . 18353 1 203 . 1 1 58 58 ARG H H 1 9.030 0.020 . 1 . . . . 380 ARG H . 18353 1 204 . 1 1 58 58 ARG CA C 13 54.460 0.3 . 1 . . . . 380 ARG CA . 18353 1 205 . 1 1 58 58 ARG CB C 13 33.127 0.3 . 1 . . . . 380 ARG CB . 18353 1 206 . 1 1 58 58 ARG N N 15 120.457 0.3 . 1 . . . . 380 ARG N . 18353 1 207 . 1 1 59 59 ASN H H 1 8.839 0.020 . 1 . . . . 381 ASN H . 18353 1 208 . 1 1 59 59 ASN CA C 13 51.409 0.3 . 1 . . . . 381 ASN CA . 18353 1 209 . 1 1 59 59 ASN CB C 13 38.970 0.3 . 1 . . . . 381 ASN CB . 18353 1 210 . 1 1 59 59 ASN N N 15 123.417 0.3 . 1 . . . . 381 ASN N . 18353 1 211 . 1 1 60 60 ASN H H 1 8.773 0.020 . 1 . . . . 382 ASN H . 18353 1 212 . 1 1 60 60 ASN CA C 13 52.424 0.3 . 1 . . . . 382 ASN CA . 18353 1 213 . 1 1 60 60 ASN CB C 13 38.969 0.3 . 1 . . . . 382 ASN CB . 18353 1 214 . 1 1 60 60 ASN N N 15 122.831 0.3 . 1 . . . . 382 ASN N . 18353 1 215 . 1 1 61 61 SER H H 1 8.334 0.020 . 1 . . . . 383 SER H . 18353 1 216 . 1 1 61 61 SER CA C 13 56.237 0.3 . 1 . . . . 383 SER CA . 18353 1 217 . 1 1 61 61 SER CB C 13 64.611 0.3 . 1 . . . . 383 SER CB . 18353 1 218 . 1 1 61 61 SER N N 15 121.433 0.3 . 1 . . . . 383 SER N . 18353 1 219 . 1 1 62 62 PRO CA C 13 64.107 0.3 . 1 . . . . 384 PRO CA . 18353 1 220 . 1 1 62 62 PRO CB C 13 30.846 0.3 . 1 . . . . 384 PRO CB . 18353 1 221 . 1 1 63 63 ASP H H 1 7.712 0.020 . 1 . . . . 385 ASP H . 18353 1 222 . 1 1 63 63 ASP CA C 13 53.445 0.3 . 1 . . . . 385 ASP CA . 18353 1 223 . 1 1 63 63 ASP CB C 13 40.749 0.3 . 1 . . . . 385 ASP CB . 18353 1 224 . 1 1 63 63 ASP N N 15 114.764 0.3 . 1 . . . . 385 ASP N . 18353 1 225 . 1 1 64 64 GLY H H 1 7.514 0.020 . 1 . . . . 386 GLY H . 18353 1 226 . 1 1 64 64 GLY CA C 13 44.554 0.3 . 1 . . . . 386 GLY CA . 18353 1 227 . 1 1 64 64 GLY N N 15 108.908 0.3 . 1 . . . . 386 GLY N . 18353 1 228 . 1 1 65 65 ASN H H 1 8.437 0.020 . 1 . . . . 387 ASN H . 18353 1 229 . 1 1 65 65 ASN CA C 13 52.175 0.3 . 1 . . . . 387 ASN CA . 18353 1 230 . 1 1 65 65 ASN CB C 13 39.221 0.3 . 1 . . . . 387 ASN CB . 18353 1 231 . 1 1 65 65 ASN N N 15 121.107 0.3 . 1 . . . . 387 ASN N . 18353 1 232 . 1 1 66 66 THR H H 1 8.005 0.020 . 1 . . . . 388 THR H . 18353 1 233 . 1 1 66 66 THR CA C 13 60.299 0.3 . 1 . . . . 388 THR CA . 18353 1 234 . 1 1 66 66 THR CB C 13 70.451 0.3 . 1 . . . . 388 THR CB . 18353 1 235 . 1 1 66 66 THR N N 15 115.902 0.3 . 1 . . . . 388 THR N . 18353 1 236 . 1 1 67 67 ASP H H 1 8.891 0.020 . 1 . . . . 389 ASP H . 18353 1 237 . 1 1 67 67 ASP CA C 13 55.218 0.3 . 1 . . . . 389 ASP CA . 18353 1 238 . 1 1 67 67 ASP CB C 13 42.276 0.3 . 1 . . . . 389 ASP CB . 18353 1 239 . 1 1 67 67 ASP N N 15 128.457 0.3 . 1 . . . . 389 ASP N . 18353 1 240 . 1 1 68 68 SER H H 1 9.066 0.020 . 1 . . . . 390 SER H . 18353 1 241 . 1 1 68 68 SER CA C 13 56.488 0.3 . 1 . . . . 390 SER CA . 18353 1 242 . 1 1 68 68 SER CB C 13 63.851 0.3 . 1 . . . . 390 SER CB . 18353 1 243 . 1 1 68 68 SER N N 15 116.163 0.3 . 1 . . . . 390 SER N . 18353 1 244 . 1 1 69 69 SER H H 1 8.722 0.020 . 1 . . . . 391 SER H . 18353 1 245 . 1 1 69 69 SER CA C 13 55.976 0.3 . 1 . . . . 391 SER CA . 18353 1 246 . 1 1 69 69 SER CB C 13 62.840 0.3 . 1 . . . . 391 SER CB . 18353 1 247 . 1 1 69 69 SER N N 15 124.328 0.3 . 1 . . . . 391 SER N . 18353 1 248 . 1 1 70 70 ALA H H 1 8.327 0.020 . 1 . . . . 392 ALA H . 18353 1 249 . 1 1 70 70 ALA CA C 13 52.935 0.3 . 1 . . . . 392 ALA CA . 18353 1 250 . 1 1 70 70 ALA CB C 13 19.673 0.3 . 1 . . . . 392 ALA CB . 18353 1 251 . 1 1 70 70 ALA N N 15 125.401 0.3 . 1 . . . . 392 ALA N . 18353 1 252 . 1 1 71 71 LEU H H 1 8.664 0.020 . 1 . . . . 393 LEU H . 18353 1 253 . 1 1 71 71 LEU CA C 13 53.947 0.3 . 1 . . . . 393 LEU CA . 18353 1 254 . 1 1 71 71 LEU CB C 13 44.050 0.3 . 1 . . . . 393 LEU CB . 18353 1 255 . 1 1 71 71 LEU N N 15 122.343 0.3 . 1 . . . . 393 LEU N . 18353 1 256 . 1 1 72 72 ASP H H 1 8.385 0.020 . 1 . . . . 394 ASP H . 18353 1 257 . 1 1 72 72 ASP CA C 13 52.681 0.3 . 1 . . . . 394 ASP CA . 18353 1 258 . 1 1 72 72 ASP CB C 13 46.334 0.3 . 1 . . . . 394 ASP CB . 18353 1 259 . 1 1 72 72 ASP N N 15 123.515 0.3 . 1 . . . . 394 ASP N . 18353 1 260 . 1 1 73 73 CYS H H 1 9.549 0.020 . 1 . . . . 395 CYS H . 18353 1 261 . 1 1 73 73 CYS CA C 13 55.474 0.3 . 1 . . . . 395 CYS CA . 18353 1 262 . 1 1 73 73 CYS CB C 13 29.831 0.3 . 1 . . . . 395 CYS CB . 18353 1 263 . 1 1 73 73 CYS N N 15 121.010 0.3 . 1 . . . . 395 CYS N . 18353 1 264 . 1 1 74 74 TYR H H 1 9.850 0.020 . 1 . . . . 396 TYR H . 18353 1 265 . 1 1 74 74 TYR CA C 13 55.456 0.3 . 1 . . . . 396 TYR CA . 18353 1 266 . 1 1 74 74 TYR CB C 13 36.939 0.3 . 1 . . . . 396 TYR CB . 18353 1 267 . 1 1 74 74 TYR N N 15 131.907 0.3 . 1 . . . . 396 TYR N . 18353 1 268 . 1 1 75 75 ASN H H 1 6.680 0.020 . 1 . . . . 397 ASN H . 18353 1 269 . 1 1 75 75 ASN CA C 13 47.601 0.3 . 1 . . . . 397 ASN CA . 18353 1 270 . 1 1 75 75 ASN CB C 13 38.739 0.3 . 1 . . . . 397 ASN CB . 18353 1 271 . 1 1 75 75 ASN N N 15 124.393 0.3 . 1 . . . . 397 ASN N . 18353 1 272 . 1 1 76 76 PRO CA C 13 63.347 0.3 . 1 . . . . 398 PRO CA . 18353 1 273 . 1 1 76 76 PRO CB C 13 31.601 0.3 . 1 . . . . 398 PRO CB . 18353 1 274 . 1 1 77 77 MET H H 1 7.793 0.020 . 1 . . . . 399 MET H . 18353 1 275 . 1 1 77 77 MET CA C 13 56.741 0.3 . 1 . . . . 399 MET CA . 18353 1 276 . 1 1 77 77 MET CB C 13 30.843 0.3 . 1 . . . . 399 MET CB . 18353 1 277 . 1 1 77 77 MET N N 15 113.072 0.3 . 1 . . . . 399 MET N . 18353 1 278 . 1 1 78 78 THR H H 1 6.731 0.020 . 1 . . . . 400 THR H . 18353 1 279 . 1 1 78 78 THR CA C 13 59.783 0.3 . 1 . . . . 400 THR CA . 18353 1 280 . 1 1 78 78 THR CB C 13 69.170 0.3 . 1 . . . . 400 THR CB . 18353 1 281 . 1 1 78 78 THR N N 15 105.915 0.3 . 1 . . . . 400 THR N . 18353 1 282 . 1 1 79 79 ASN H H 1 8.115 0.020 . 1 . . . . 401 ASN H . 18353 1 283 . 1 1 79 79 ASN CA C 13 52.932 0.3 . 1 . . . . 401 ASN CA . 18353 1 284 . 1 1 79 79 ASN CB C 13 36.685 0.3 . 1 . . . . 401 ASN CB . 18353 1 285 . 1 1 79 79 ASN N N 15 118.994 0.3 . 1 . . . . 401 ASN N . 18353 1 286 . 1 1 80 80 GLN H H 1 6.475 0.020 . 1 . . . . 402 GLN H . 18353 1 287 . 1 1 80 80 GLN CA C 13 53.695 0.3 . 1 . . . . 402 GLN CA . 18353 1 288 . 1 1 80 80 GLN CB C 13 32.114 0.3 . 1 . . . . 402 GLN CB . 18353 1 289 . 1 1 80 80 GLN N N 15 112.779 0.3 . 1 . . . . 402 GLN N . 18353 1 290 . 1 1 81 81 TRP H H 1 8.913 0.020 . 1 . . . . 403 TRP H . 18353 1 291 . 1 1 81 81 TRP CA C 13 56.236 0.3 . 1 . . . . 403 TRP CA . 18353 1 292 . 1 1 81 81 TRP CB C 13 30.585 0.3 . 1 . . . . 403 TRP CB . 18353 1 293 . 1 1 81 81 TRP N N 15 125.369 0.3 . 1 . . . . 403 TRP N . 18353 1 294 . 1 1 82 82 SER H H 1 9.820 0.020 . 1 . . . . 404 SER H . 18353 1 295 . 1 1 82 82 SER CA C 13 55.223 0.3 . 1 . . . . 404 SER CA . 18353 1 296 . 1 1 82 82 SER CB C 13 64.361 0.3 . 1 . . . . 404 SER CB . 18353 1 297 . 1 1 82 82 SER N N 15 117.691 0.3 . 1 . . . . 404 SER N . 18353 1 298 . 1 1 83 83 PRO CA C 13 62.581 0.3 . 1 . . . . 405 PRO CA . 18353 1 299 . 1 1 83 83 PRO CB C 13 32.363 0.3 . 1 . . . . 405 PRO CB . 18353 1 300 . 1 1 84 84 CYS H H 1 8.466 0.020 . 1 . . . . 406 CYS H . 18353 1 301 . 1 1 84 84 CYS CA C 13 56.488 0.3 . 1 . . . . 406 CYS CA . 18353 1 302 . 1 1 84 84 CYS CB C 13 30.846 0.3 . 1 . . . . 406 CYS CB . 18353 1 303 . 1 1 84 84 CYS N N 15 120.880 0.3 . 1 . . . . 406 CYS N . 18353 1 304 . 1 1 85 85 ALA H H 1 9.864 0.020 . 1 . . . . 407 ALA H . 18353 1 305 . 1 1 85 85 ALA CA C 13 53.691 0.3 . 1 . . . . 407 ALA CA . 18353 1 306 . 1 1 85 85 ALA CB C 13 18.409 0.3 . 1 . . . . 407 ALA CB . 18353 1 307 . 1 1 85 85 ALA N N 15 129.272 0.3 . 1 . . . . 407 ALA N . 18353 1 308 . 1 1 86 86 SER H H 1 8.078 0.020 . 1 . . . . 408 SER H . 18353 1 309 . 1 1 86 86 SER CA C 13 57.760 0.3 . 1 . . . . 408 SER CA . 18353 1 310 . 1 1 86 86 SER CB C 13 63.092 0.3 . 1 . . . . 408 SER CB . 18353 1 311 . 1 1 86 86 SER N N 15 115.447 0.3 . 1 . . . . 408 SER N . 18353 1 312 . 1 1 87 87 MET H H 1 8.298 0.020 . 1 . . . . 409 MET H . 18353 1 313 . 1 1 87 87 MET CA C 13 55.220 0.3 . 1 . . . . 409 MET CA . 18353 1 314 . 1 1 87 87 MET CB C 13 33.638 0.3 . 1 . . . . 409 MET CB . 18353 1 315 . 1 1 87 87 MET N N 15 119.416 0.3 . 1 . . . . 409 MET N . 18353 1 316 . 1 1 88 88 SER H H 1 10.274 0.020 . 1 . . . . 410 SER H . 18353 1 317 . 1 1 88 88 SER CA C 13 60.805 0.3 . 1 . . . . 410 SER CA . 18353 1 318 . 1 1 88 88 SER CB C 13 62.585 0.3 . 1 . . . . 410 SER CB . 18353 1 319 . 1 1 88 88 SER N N 15 118.960 0.3 . 1 . . . . 410 SER N . 18353 1 320 . 1 1 89 89 VAL H H 1 6.658 0.020 . 1 . . . . 411 VAL H . 18353 1 321 . 1 1 89 89 VAL CA C 13 56.743 0.3 . 1 . . . . 411 VAL CA . 18353 1 322 . 1 1 89 89 VAL CB C 13 34.147 0.3 . 1 . . . . 411 VAL CB . 18353 1 323 . 1 1 89 89 VAL N N 15 115.317 0.3 . 1 . . . . 411 VAL N . 18353 1 324 . 1 1 90 90 PRO CA C 13 63.348 0.3 . 1 . . . . 412 PRO CA . 18353 1 325 . 1 1 91 91 ARG H H 1 7.924 0.020 . 1 . . . . 413 ARG H . 18353 1 326 . 1 1 91 91 ARG CA C 13 56.739 0.3 . 1 . . . . 413 ARG CA . 18353 1 327 . 1 1 91 91 ARG CB C 13 30.847 0.3 . 1 . . . . 413 ARG CB . 18353 1 328 . 1 1 91 91 ARG N N 15 114.568 0.3 . 1 . . . . 413 ARG N . 18353 1 329 . 1 1 93 93 ARG H H 1 8.803 0.020 . 1 . . . . 415 ARG H . 18353 1 330 . 1 1 93 93 ARG CA C 13 55.218 0.3 . 1 . . . . 415 ARG CA . 18353 1 331 . 1 1 93 93 ARG CB C 13 31.100 0.3 . 1 . . . . 415 ARG CB . 18353 1 332 . 1 1 93 93 ARG N N 15 122.669 0.3 . 1 . . . . 415 ARG N . 18353 1 333 . 1 1 94 94 ILE H H 1 8.356 0.020 . 1 . . . . 416 ILE H . 18353 1 334 . 1 1 94 94 ILE CA C 13 59.285 0.3 . 1 . . . . 416 ILE CA . 18353 1 335 . 1 1 94 94 ILE CB C 13 39.478 0.3 . 1 . . . . 416 ILE CB . 18353 1 336 . 1 1 94 94 ILE N N 15 117.724 0.3 . 1 . . . . 416 ILE N . 18353 1 337 . 1 1 95 95 GLY H H 1 7.873 0.020 . 1 . . . . 417 GLY H . 18353 1 338 . 1 1 95 95 GLY CA C 13 44.298 0.3 . 1 . . . . 417 GLY CA . 18353 1 339 . 1 1 95 95 GLY N N 15 110.893 0.3 . 1 . . . . 417 GLY N . 18353 1 340 . 1 1 96 96 VAL H H 1 8.766 0.020 . 1 . . . . 418 VAL H . 18353 1 341 . 1 1 96 96 VAL CA C 13 58.520 0.3 . 1 . . . . 418 VAL CA . 18353 1 342 . 1 1 96 96 VAL CB C 13 36.177 0.3 . 1 . . . . 418 VAL CB . 18353 1 343 . 1 1 96 96 VAL N N 15 119.188 0.3 . 1 . . . . 418 VAL N . 18353 1 344 . 1 1 97 97 GLY H H 1 8.378 0.020 . 1 . . . . 419 GLY H . 18353 1 345 . 1 1 97 97 GLY CA C 13 43.541 0.3 . 1 . . . . 419 GLY CA . 18353 1 346 . 1 1 97 97 GLY N N 15 108.258 0.3 . 1 . . . . 419 GLY N . 18353 1 347 . 1 1 98 98 VAL H H 1 8.422 0.020 . 1 . . . . 420 VAL H . 18353 1 348 . 1 1 98 98 VAL CA C 13 60.550 0.3 . 1 . . . . 420 VAL CA . 18353 1 349 . 1 1 98 98 VAL CB C 13 33.638 0.3 . 1 . . . . 420 VAL CB . 18353 1 350 . 1 1 98 98 VAL N N 15 122.408 0.3 . 1 . . . . 420 VAL N . 18353 1 351 . 1 1 99 99 ILE H H 1 8.415 0.020 . 1 . . . . 421 ILE H . 18353 1 352 . 1 1 99 99 ILE CA C 13 60.805 0.3 . 1 . . . . 421 ILE CA . 18353 1 353 . 1 1 99 99 ILE CB C 13 39.732 0.3 . 1 . . . . 421 ILE CB . 18353 1 354 . 1 1 99 99 ILE N N 15 124.393 0.3 . 1 . . . . 421 ILE N . 18353 1 355 . 1 1 100 100 ASP H H 1 9.155 0.020 . 1 . . . . 422 ASP H . 18353 1 356 . 1 1 100 100 ASP CA C 13 54.966 0.3 . 1 . . . . 422 ASP CA . 18353 1 357 . 1 1 100 100 ASP CB C 13 38.462 0.3 . 1 . . . . 422 ASP CB . 18353 1 358 . 1 1 100 100 ASP N N 15 128.556 0.3 . 1 . . . . 422 ASP N . 18353 1 359 . 1 1 101 101 GLY H H 1 8.071 0.020 . 1 . . . . 423 GLY H . 18353 1 360 . 1 1 101 101 GLY CA C 13 45.059 0.3 . 1 . . . . 423 GLY CA . 18353 1 361 . 1 1 101 101 GLY N N 15 103.410 0.3 . 1 . . . . 423 GLY N . 18353 1 362 . 1 1 102 102 HIS H H 1 7.917 0.020 . 1 . . . . 424 HIS H . 18353 1 363 . 1 1 102 102 HIS CA C 13 52.426 0.3 . 1 . . . . 424 HIS CA . 18353 1 364 . 1 1 102 102 HIS CB C 13 32.113 0.3 . 1 . . . . 424 HIS CB . 18353 1 365 . 1 1 102 102 HIS N N 15 117.887 0.3 . 1 . . . . 424 HIS N . 18353 1 366 . 1 1 103 103 ILE H H 1 7.946 0.020 . 1 . . . . 425 ILE H . 18353 1 367 . 1 1 103 103 ILE CA C 13 61.061 0.3 . 1 . . . . 425 ILE CA . 18353 1 368 . 1 1 103 103 ILE CB C 13 39.476 0.3 . 1 . . . . 425 ILE CB . 18353 1 369 . 1 1 103 103 ILE N N 15 120.684 0.3 . 1 . . . . 425 ILE N . 18353 1 370 . 1 1 104 104 TYR H H 1 9.703 0.020 . 1 . . . . 426 TYR H . 18353 1 371 . 1 1 104 104 TYR CA C 13 57.255 0.3 . 1 . . . . 426 TYR CA . 18353 1 372 . 1 1 104 104 TYR CB C 13 38.957 0.3 . 1 . . . . 426 TYR CB . 18353 1 373 . 1 1 104 104 TYR N N 15 126.963 0.3 . 1 . . . . 426 TYR N . 18353 1 374 . 1 1 105 105 ALA H H 1 9.681 0.020 . 1 . . . . 427 ALA H . 18353 1 375 . 1 1 105 105 ALA CA C 13 50.394 0.3 . 1 . . . . 427 ALA CA . 18353 1 376 . 1 1 105 105 ALA CB C 13 22.210 0.3 . 1 . . . . 427 ALA CB . 18353 1 377 . 1 1 105 105 ALA N N 15 126.703 0.3 . 1 . . . . 427 ALA N . 18353 1 378 . 1 1 106 106 VAL H H 1 8.788 0.020 . 1 . . . . 428 VAL H . 18353 1 379 . 1 1 106 106 VAL CA C 13 60.549 0.3 . 1 . . . . 428 VAL CA . 18353 1 380 . 1 1 106 106 VAL CB C 13 33.131 0.3 . 1 . . . . 428 VAL CB . 18353 1 381 . 1 1 106 106 VAL N N 15 121.042 0.3 . 1 . . . . 428 VAL N . 18353 1 382 . 1 1 107 107 GLY H H 1 7.295 0.020 . 1 . . . . 429 GLY H . 18353 1 383 . 1 1 107 107 GLY CA C 13 46.077 0.3 . 1 . . . . 429 GLY CA . 18353 1 384 . 1 1 107 107 GLY N N 15 108.615 0.3 . 1 . . . . 429 GLY N . 18353 1 385 . 1 1 108 108 GLY H H 1 8.627 0.020 . 1 . . . . 430 GLY H . 18353 1 386 . 1 1 108 108 GLY CA C 13 43.791 0.3 . 1 . . . . 430 GLY CA . 18353 1 387 . 1 1 108 108 GLY N N 15 108.062 0.3 . 1 . . . . 430 GLY N . 18353 1 388 . 1 1 109 109 SER H H 1 9.476 0.020 . 1 . . . . 431 SER H . 18353 1 389 . 1 1 109 109 SER CA C 13 55.725 0.3 . 1 . . . . 431 SER CA . 18353 1 390 . 1 1 109 109 SER CB C 13 66.390 0.3 . 1 . . . . 431 SER CB . 18353 1 391 . 1 1 109 109 SER N N 15 111.055 0.3 . 1 . . . . 431 SER N . 18353 1 392 . 1 1 110 110 HIS H H 1 8.071 0.020 . 1 . . . . 432 HIS H . 18353 1 393 . 1 1 110 110 HIS CA C 13 51.663 0.3 . 1 . . . . 432 HIS CA . 18353 1 394 . 1 1 110 110 HIS CB C 13 31.858 0.3 . 1 . . . . 432 HIS CB . 18353 1 395 . 1 1 110 110 HIS N N 15 119.025 0.3 . 1 . . . . 432 HIS N . 18353 1 396 . 1 1 111 111 GLY H H 1 9.410 0.020 . 1 . . . . 433 GLY H . 18353 1 397 . 1 1 111 111 GLY CA C 13 46.587 0.3 . 1 . . . . 433 GLY CA . 18353 1 398 . 1 1 111 111 GLY N N 15 119.708 0.3 . 1 . . . . 433 GLY N . 18353 1 399 . 1 1 113 113 ILE H H 1 8.056 0.020 . 1 . . . . 435 ILE H . 18353 1 400 . 1 1 113 113 ILE CA C 13 60.806 0.3 . 1 . . . . 435 ILE CA . 18353 1 401 . 1 1 113 113 ILE CB C 13 36.177 0.3 . 1 . . . . 435 ILE CB . 18353 1 402 . 1 1 113 113 ILE N N 15 125.434 0.3 . 1 . . . . 435 ILE N . 18353 1 403 . 1 1 114 114 HIS H H 1 8.568 0.020 . 1 . . . . 436 HIS H . 18353 1 404 . 1 1 114 114 HIS CA C 13 53.951 0.3 . 1 . . . . 436 HIS CA . 18353 1 405 . 1 1 114 114 HIS CB C 13 28.562 0.3 . 1 . . . . 436 HIS CB . 18353 1 406 . 1 1 114 114 HIS N N 15 128.297 0.3 . 1 . . . . 436 HIS N . 18353 1 407 . 1 1 115 115 HIS H H 1 8.788 0.020 . 1 . . . . 437 HIS H . 18353 1 408 . 1 1 115 115 HIS CA C 13 56.466 0.3 . 1 . . . . 437 HIS CA . 18353 1 409 . 1 1 115 115 HIS CB C 13 30.591 0.3 . 1 . . . . 437 HIS CB . 18353 1 410 . 1 1 115 115 HIS N N 15 123.840 0.3 . 1 . . . . 437 HIS N . 18353 1 411 . 1 1 116 116 SER H H 1 8.847 0.020 . 1 . . . . 438 SER H . 18353 1 412 . 1 1 116 116 SER CA C 13 56.491 0.3 . 1 . . . . 438 SER CA . 18353 1 413 . 1 1 116 116 SER CB C 13 63.598 0.3 . 1 . . . . 438 SER CB . 18353 1 414 . 1 1 116 116 SER N N 15 112.519 0.3 . 1 . . . . 438 SER N . 18353 1 415 . 1 1 117 117 SER H H 1 7.668 0.020 . 1 . . . . 439 SER H . 18353 1 416 . 1 1 117 117 SER CA C 13 56.743 0.3 . 1 . . . . 439 SER CA . 18353 1 417 . 1 1 117 117 SER CB C 13 64.102 0.3 . 1 . . . . 439 SER CB . 18353 1 418 . 1 1 117 117 SER N N 15 117.887 0.3 . 1 . . . . 439 SER N . 18353 1 419 . 1 1 118 118 VAL H H 1 8.664 0.020 . 1 . . . . 440 VAL H . 18353 1 420 . 1 1 118 118 VAL CA C 13 60.297 0.3 . 1 . . . . 440 VAL CA . 18353 1 421 . 1 1 118 118 VAL CB C 13 35.160 0.3 . 1 . . . . 440 VAL CB . 18353 1 422 . 1 1 118 118 VAL N N 15 121.855 0.3 . 1 . . . . 440 VAL N . 18353 1 423 . 1 1 119 119 GLU H H 1 8.715 0.020 . 1 . . . . 441 GLU H . 18353 1 424 . 1 1 119 119 GLU CA C 13 53.443 0.3 . 1 . . . . 441 GLU CA . 18353 1 425 . 1 1 119 119 GLU CB C 13 34.401 0.3 . 1 . . . . 441 GLU CB . 18353 1 426 . 1 1 119 119 GLU N N 15 121.921 0.3 . 1 . . . . 441 GLU N . 18353 1 427 . 1 1 120 120 ARG H H 1 9.564 0.020 . 1 . . . . 442 ARG H . 18353 1 428 . 1 1 120 120 ARG CA C 13 53.189 0.3 . 1 . . . . 442 ARG CA . 18353 1 429 . 1 1 120 120 ARG CB C 13 33.384 0.3 . 1 . . . . 442 ARG CB . 18353 1 430 . 1 1 120 120 ARG N N 15 122.441 0.3 . 1 . . . . 442 ARG N . 18353 1 431 . 1 1 121 121 TYR H H 1 9.637 0.020 . 1 . . . . 443 TYR H . 18353 1 432 . 1 1 121 121 TYR CA C 13 54.968 0.3 . 1 . . . . 443 TYR CA . 18353 1 433 . 1 1 121 121 TYR CB C 13 37.946 0.3 . 1 . . . . 443 TYR CB . 18353 1 434 . 1 1 121 121 TYR N N 15 131.127 0.3 . 1 . . . . 443 TYR N . 18353 1 435 . 1 1 122 122 GLU H H 1 7.148 0.020 . 1 . . . . 444 GLU H . 18353 1 436 . 1 1 122 122 GLU CA C 13 50.904 0.3 . 1 . . . . 444 GLU CA . 18353 1 437 . 1 1 122 122 GLU CB C 13 29.322 0.3 . 1 . . . . 444 GLU CB . 18353 1 438 . 1 1 122 122 GLU N N 15 126.442 0.3 . 1 . . . . 444 GLU N . 18353 1 439 . 1 1 123 123 PRO CA C 13 64.616 0.3 . 1 . . . . 445 PRO CA . 18353 1 440 . 1 1 123 123 PRO CB C 13 31.350 0.3 . 1 . . . . 445 PRO CB . 18353 1 441 . 1 1 124 124 GLU H H 1 9.696 0.020 . 1 . . . . 446 GLU H . 18353 1 442 . 1 1 124 124 GLU CA C 13 58.265 0.3 . 1 . . . . 446 GLU CA . 18353 1 443 . 1 1 124 124 GLU CB C 13 27.799 0.3 . 1 . . . . 446 GLU CB . 18353 1 444 . 1 1 124 124 GLU N N 15 115.805 0.3 . 1 . . . . 446 GLU N . 18353 1 445 . 1 1 125 125 ARG H H 1 6.863 0.020 . 1 . . . . 447 ARG H . 18353 1 446 . 1 1 125 125 ARG CA C 13 54.713 0.3 . 1 . . . . 447 ARG CA . 18353 1 447 . 1 1 125 125 ARG CB C 13 31.355 0.3 . 1 . . . . 447 ARG CB . 18353 1 448 . 1 1 125 125 ARG N N 15 114.829 0.3 . 1 . . . . 447 ARG N . 18353 1 449 . 1 1 126 126 ASP H H 1 7.749 0.020 . 1 . . . . 448 ASP H . 18353 1 450 . 1 1 126 126 ASP CA C 13 53.953 0.3 . 1 . . . . 448 ASP CA . 18353 1 451 . 1 1 126 126 ASP CB C 13 39.221 0.3 . 1 . . . . 448 ASP CB . 18353 1 452 . 1 1 126 126 ASP N N 15 119.741 0.3 . 1 . . . . 448 ASP N . 18353 1 453 . 1 1 127 127 GLU H H 1 5.970 0.020 . 1 . . . . 449 GLU H . 18353 1 454 . 1 1 127 127 GLU CA C 13 53.948 0.3 . 1 . . . . 449 GLU CA . 18353 1 455 . 1 1 127 127 GLU CB C 13 34.399 0.3 . 1 . . . . 449 GLU CB . 18353 1 456 . 1 1 127 127 GLU N N 15 112.779 0.3 . 1 . . . . 449 GLU N . 18353 1 457 . 1 1 128 128 TRP H H 1 8.576 0.020 . 1 . . . . 450 TRP H . 18353 1 458 . 1 1 128 128 TRP CA C 13 55.474 0.3 . 1 . . . . 450 TRP CA . 18353 1 459 . 1 1 128 128 TRP CB C 13 31.355 0.3 . 1 . . . . 450 TRP CB . 18353 1 460 . 1 1 128 128 TRP N N 15 123.124 0.3 . 1 . . . . 450 TRP N . 18353 1 461 . 1 1 129 129 HIS H H 1 9.257 0.020 . 1 . . . . 451 HIS H . 18353 1 462 . 1 1 129 129 HIS CA C 13 54.709 0.3 . 1 . . . . 451 HIS CA . 18353 1 463 . 1 1 129 129 HIS CB C 13 32.614 0.3 . 1 . . . . 451 HIS CB . 18353 1 464 . 1 1 129 129 HIS N N 15 118.895 0.3 . 1 . . . . 451 HIS N . 18353 1 465 . 1 1 130 130 LEU H H 1 8.788 0.020 . 1 . . . . 452 LEU H . 18353 1 466 . 1 1 130 130 LEU CA C 13 56.234 0.3 . 1 . . . . 452 LEU CA . 18353 1 467 . 1 1 130 130 LEU CB C 13 42.017 0.3 . 1 . . . . 452 LEU CB . 18353 1 468 . 1 1 130 130 LEU N N 15 125.596 0.3 . 1 . . . . 452 LEU N . 18353 1 469 . 1 1 131 131 VAL H H 1 8.129 0.020 . 1 . . . . 453 VAL H . 18353 1 470 . 1 1 131 131 VAL CA C 13 59.026 0.3 . 1 . . . . 453 VAL CA . 18353 1 471 . 1 1 131 131 VAL CB C 13 31.862 0.3 . 1 . . . . 453 VAL CB . 18353 1 472 . 1 1 131 131 VAL N N 15 117.399 0.3 . 1 . . . . 453 VAL N . 18353 1 473 . 1 1 132 132 ALA H H 1 8.407 0.020 . 1 . . . . 454 ALA H . 18353 1 474 . 1 1 132 132 ALA CA C 13 51.157 0.3 . 1 . . . . 454 ALA CA . 18353 1 475 . 1 1 132 132 ALA CB C 13 16.883 0.3 . 1 . . . . 454 ALA CB . 18353 1 476 . 1 1 132 132 ALA N N 15 127.223 0.3 . 1 . . . . 454 ALA N . 18353 1 477 . 1 1 135 135 LEU H H 1 9.118 0.020 . 1 . . . . 457 LEU H . 18353 1 478 . 1 1 135 135 LEU CA C 13 55.736 0.3 . 1 . . . . 457 LEU CA . 18353 1 479 . 1 1 135 135 LEU CB C 13 39.982 0.3 . 1 . . . . 457 LEU CB . 18353 1 480 . 1 1 135 135 LEU N N 15 121.922 0.3 . 1 . . . . 457 LEU N . 18353 1 481 . 1 1 136 136 THR H H 1 7.331 0.020 . 1 . . . . 458 THR H . 18353 1 482 . 1 1 136 136 THR CA C 13 60.042 0.3 . 1 . . . . 458 THR CA . 18353 1 483 . 1 1 136 136 THR CB C 13 70.199 0.3 . 1 . . . . 458 THR CB . 18353 1 484 . 1 1 136 136 THR N N 15 115.740 0.3 . 1 . . . . 458 THR N . 18353 1 485 . 1 1 137 137 ARG H H 1 8.063 0.020 . 1 . . . . 459 ARG H . 18353 1 486 . 1 1 137 137 ARG CA C 13 55.979 0.3 . 1 . . . . 459 ARG CA . 18353 1 487 . 1 1 137 137 ARG CB C 13 29.068 0.3 . 1 . . . . 459 ARG CB . 18353 1 488 . 1 1 137 137 ARG N N 15 124.100 0.3 . 1 . . . . 459 ARG N . 18353 1 489 . 1 1 138 138 ARG H H 1 7.126 0.020 . 1 . . . . 460 ARG H . 18353 1 490 . 1 1 138 138 ARG CA C 13 54.964 0.3 . 1 . . . . 460 ARG CA . 18353 1 491 . 1 1 138 138 ARG CB C 13 34.653 0.3 . 1 . . . . 460 ARG CB . 18353 1 492 . 1 1 138 138 ARG N N 15 113.950 0.3 . 1 . . . . 460 ARG N . 18353 1 493 . 1 1 139 139 ILE H H 1 8.686 0.020 . 1 . . . . 461 ILE H . 18353 1 494 . 1 1 139 139 ILE CA C 13 58.015 0.3 . 1 . . . . 461 ILE CA . 18353 1 495 . 1 1 139 139 ILE CB C 13 38.716 0.3 . 1 . . . . 461 ILE CB . 18353 1 496 . 1 1 139 139 ILE N N 15 118.408 0.3 . 1 . . . . 461 ILE N . 18353 1 497 . 1 1 140 140 GLY H H 1 9.608 0.020 . 1 . . . . 462 GLY H . 18353 1 498 . 1 1 140 140 GLY CA C 13 46.840 0.3 . 1 . . . . 462 GLY CA . 18353 1 499 . 1 1 140 140 GLY N N 15 114.243 0.3 . 1 . . . . 462 GLY N . 18353 1 500 . 1 1 141 141 VAL H H 1 6.621 0.020 . 1 . . . . 463 VAL H . 18353 1 501 . 1 1 141 141 VAL CA C 13 58.011 0.3 . 1 . . . . 463 VAL CA . 18353 1 502 . 1 1 141 141 VAL CB C 13 33.132 0.3 . 1 . . . . 463 VAL CB . 18353 1 503 . 1 1 141 141 VAL N N 15 117.594 0.3 . 1 . . . . 463 VAL N . 18353 1 504 . 1 1 142 142 GLY H H 1 8.400 0.020 . 1 . . . . 464 GLY H . 18353 1 505 . 1 1 142 142 GLY CA C 13 43.794 0.3 . 1 . . . . 464 GLY CA . 18353 1 506 . 1 1 142 142 GLY N N 15 114.764 0.3 . 1 . . . . 464 GLY N . 18353 1 507 . 1 1 143 143 VAL H H 1 8.810 0.020 . 1 . . . . 465 VAL H . 18353 1 508 . 1 1 143 143 VAL CA C 13 59.279 0.3 . 1 . . . . 465 VAL CA . 18353 1 509 . 1 1 143 143 VAL CB C 13 34.648 0.3 . 1 . . . . 465 VAL CB . 18353 1 510 . 1 1 143 143 VAL N N 15 125.434 0.3 . 1 . . . . 465 VAL N . 18353 1 511 . 1 1 144 144 ALA H H 1 8.649 0.020 . 1 . . . . 466 ALA H . 18353 1 512 . 1 1 144 144 ALA CA C 13 49.887 0.3 . 1 . . . . 466 ALA CA . 18353 1 513 . 1 1 144 144 ALA CB C 13 23.484 0.3 . 1 . . . . 466 ALA CB . 18353 1 514 . 1 1 144 144 ALA N N 15 126.312 0.3 . 1 . . . . 466 ALA N . 18353 1 515 . 1 1 145 145 VAL H H 1 8.429 0.020 . 1 . . . . 467 VAL H . 18353 1 516 . 1 1 145 145 VAL CA C 13 60.805 0.3 . 1 . . . . 467 VAL CA . 18353 1 517 . 1 1 145 145 VAL CB C 13 33.382 0.3 . 1 . . . . 467 VAL CB . 18353 1 518 . 1 1 145 145 VAL N N 15 120.717 0.3 . 1 . . . . 467 VAL N . 18353 1 519 . 1 1 146 146 LEU H H 1 8.590 0.020 . 1 . . . . 468 LEU H . 18353 1 520 . 1 1 146 146 LEU CA C 13 53.950 0.3 . 1 . . . . 468 LEU CA . 18353 1 521 . 1 1 146 146 LEU CB C 13 44.049 0.3 . 1 . . . . 468 LEU CB . 18353 1 522 . 1 1 146 146 LEU N N 15 127.939 0.3 . 1 . . . . 468 LEU N . 18353 1 523 . 1 1 147 147 ASN H H 1 9.659 0.020 . 1 . . . . 469 ASN H . 18353 1 524 . 1 1 147 147 ASN CA C 13 53.948 0.3 . 1 . . . . 469 ASN CA . 18353 1 525 . 1 1 147 147 ASN CB C 13 36.428 0.3 . 1 . . . . 469 ASN CB . 18353 1 526 . 1 1 147 147 ASN N N 15 128.687 0.3 . 1 . . . . 469 ASN N . 18353 1 527 . 1 1 148 148 ARG H H 1 8.459 0.020 . 1 . . . . 470 ARG H . 18353 1 528 . 1 1 148 148 ARG CA C 13 58.014 0.3 . 1 . . . . 470 ARG CA . 18353 1 529 . 1 1 148 148 ARG CB C 13 26.529 0.3 . 1 . . . . 470 ARG CB . 18353 1 530 . 1 1 148 148 ARG N N 15 107.965 0.3 . 1 . . . . 470 ARG N . 18353 1 531 . 1 1 149 149 LEU H H 1 7.273 0.020 . 1 . . . . 471 LEU H . 18353 1 532 . 1 1 149 149 LEU CA C 13 52.934 0.3 . 1 . . . . 471 LEU CA . 18353 1 533 . 1 1 149 149 LEU CB C 13 42.269 0.3 . 1 . . . . 471 LEU CB . 18353 1 534 . 1 1 149 149 LEU N N 15 116.878 0.3 . 1 . . . . 471 LEU N . 18353 1 535 . 1 1 150 150 LEU H H 1 7.236 0.020 . 1 . . . . 472 LEU H . 18353 1 536 . 1 1 150 150 LEU CA C 13 53.186 0.3 . 1 . . . . 472 LEU CA . 18353 1 537 . 1 1 150 150 LEU CB C 13 42.524 0.3 . 1 . . . . 472 LEU CB . 18353 1 538 . 1 1 150 150 LEU N N 15 122.540 0.3 . 1 . . . . 472 LEU N . 18353 1 539 . 1 1 152 152 ALA H H 1 9.425 0.020 . 1 . . . . 474 ALA H . 18353 1 540 . 1 1 152 152 ALA CA C 13 50.394 0.3 . 1 . . . . 474 ALA CA . 18353 1 541 . 1 1 152 152 ALA CB C 13 21.182 0.3 . 1 . . . . 474 ALA CB . 18353 1 542 . 1 1 152 152 ALA N N 15 125.793 0.3 . 1 . . . . 474 ALA N . 18353 1 543 . 1 1 153 153 VAL H H 1 9.330 0.020 . 1 . . . . 475 VAL H . 18353 1 544 . 1 1 153 153 VAL CA C 13 61.567 0.3 . 1 . . . . 475 VAL CA . 18353 1 545 . 1 1 153 153 VAL CB C 13 33.886 0.3 . 1 . . . . 475 VAL CB . 18353 1 546 . 1 1 153 153 VAL N N 15 122.571 0.3 . 1 . . . . 475 VAL N . 18353 1 547 . 1 1 154 154 GLY H H 1 8.488 0.020 . 1 . . . . 476 GLY H . 18353 1 548 . 1 1 154 154 GLY CA C 13 45.064 0.3 . 1 . . . . 476 GLY CA . 18353 1 549 . 1 1 154 154 GLY N N 15 114.016 0.3 . 1 . . . . 476 GLY N . 18353 1 550 . 1 1 155 155 GLY H H 1 9.220 0.020 . 1 . . . . 477 GLY H . 18353 1 551 . 1 1 155 155 GLY CA C 13 43.032 0.3 . 1 . . . . 477 GLY CA . 18353 1 552 . 1 1 155 155 GLY N N 15 106.598 0.3 . 1 . . . . 477 GLY N . 18353 1 553 . 1 1 156 156 PHE H H 1 8.766 0.020 . 1 . . . . 478 PHE H . 18353 1 554 . 1 1 156 156 PHE CA C 13 54.967 0.3 . 1 . . . . 478 PHE CA . 18353 1 555 . 1 1 156 156 PHE CB C 13 41.256 0.3 . 1 . . . . 478 PHE CB . 18353 1 556 . 1 1 156 156 PHE N N 15 120.977 0.3 . 1 . . . . 478 PHE N . 18353 1 557 . 1 1 157 157 ASP H H 1 7.946 0.020 . 1 . . . . 479 ASP H . 18353 1 558 . 1 1 157 157 ASP CA C 13 52.938 0.3 . 1 . . . . 479 ASP CA . 18353 1 559 . 1 1 157 157 ASP CB C 13 41.507 0.3 . 1 . . . . 479 ASP CB . 18353 1 560 . 1 1 157 157 ASP N N 15 125.792 0.3 . 1 . . . . 479 ASP N . 18353 1 561 . 1 1 159 159 THR H H 1 8.290 0.020 . 1 . . . . 481 THR H . 18353 1 562 . 1 1 159 159 THR CA C 13 64.103 0.3 . 1 . . . . 481 THR CA . 18353 1 563 . 1 1 159 159 THR CB C 13 70.397 0.3 . 1 . . . . 481 THR CB . 18353 1 564 . 1 1 159 159 THR N N 15 117.887 0.3 . 1 . . . . 481 THR N . 18353 1 565 . 1 1 160 160 ASN H H 1 9.791 0.020 . 1 . . . . 482 ASN H . 18353 1 566 . 1 1 160 160 ASN CA C 13 52.171 0.3 . 1 . . . . 482 ASN CA . 18353 1 567 . 1 1 160 160 ASN CB C 13 40.745 0.3 . 1 . . . . 482 ASN CB . 18353 1 568 . 1 1 160 160 ASN N N 15 122.701 0.3 . 1 . . . . 482 ASN N . 18353 1 569 . 1 1 161 161 ARG H H 1 8.693 0.020 . 1 . . . . 483 ARG H . 18353 1 570 . 1 1 161 161 ARG CA C 13 56.742 0.3 . 1 . . . . 483 ARG CA . 18353 1 571 . 1 1 161 161 ARG CB C 13 29.068 0.3 . 1 . . . . 483 ARG CB . 18353 1 572 . 1 1 161 161 ARG N N 15 123.547 0.3 . 1 . . . . 483 ARG N . 18353 1 573 . 1 1 162 162 LEU H H 1 8.305 0.020 . 1 . . . . 484 LEU H . 18353 1 574 . 1 1 162 162 LEU CA C 13 54.710 0.3 . 1 . . . . 484 LEU CA . 18353 1 575 . 1 1 162 162 LEU CB C 13 42.779 0.3 . 1 . . . . 484 LEU CB . 18353 1 576 . 1 1 162 162 LEU N N 15 121.107 0.3 . 1 . . . . 484 LEU N . 18353 1 577 . 1 1 163 163 ASN H H 1 8.312 0.020 . 1 . . . . 485 ASN H . 18353 1 578 . 1 1 163 163 ASN CA C 13 50.902 0.3 . 1 . . . . 485 ASN CA . 18353 1 579 . 1 1 163 163 ASN CB C 13 36.938 0.3 . 1 . . . . 485 ASN CB . 18353 1 580 . 1 1 163 163 ASN N N 15 115.935 0.3 . 1 . . . . 485 ASN N . 18353 1 581 . 1 1 164 164 SER H H 1 7.200 0.020 . 1 . . . . 486 SER H . 18353 1 582 . 1 1 164 164 SER CA C 13 56.233 0.3 . 1 . . . . 486 SER CA . 18353 1 583 . 1 1 164 164 SER CB C 13 64.866 0.3 . 1 . . . . 486 SER CB . 18353 1 584 . 1 1 164 164 SER N N 15 115.154 0.3 . 1 . . . . 486 SER N . 18353 1 585 . 1 1 165 165 ALA H H 1 9.096 0.020 . 1 . . . . 487 ALA H . 18353 1 586 . 1 1 165 165 ALA CA C 13 50.397 0.3 . 1 . . . . 487 ALA CA . 18353 1 587 . 1 1 165 165 ALA CB C 13 22.212 0.3 . 1 . . . . 487 ALA CB . 18353 1 588 . 1 1 165 165 ALA N N 15 122.506 0.3 . 1 . . . . 487 ALA N . 18353 1 589 . 1 1 166 166 GLU H H 1 9.198 0.020 . 1 . . . . 488 GLU H . 18353 1 590 . 1 1 166 166 GLU CA C 13 54.455 0.3 . 1 . . . . 488 GLU CA . 18353 1 591 . 1 1 166 166 GLU CB C 13 34.655 0.3 . 1 . . . . 488 GLU CB . 18353 1 592 . 1 1 166 166 GLU N N 15 117.725 0.3 . 1 . . . . 488 GLU N . 18353 1 593 . 1 1 167 167 CYS H H 1 9.637 0.020 . 1 . . . . 489 CYS H . 18353 1 594 . 1 1 167 167 CYS CA C 13 55.725 0.3 . 1 . . . . 489 CYS CA . 18353 1 595 . 1 1 167 167 CYS CB C 13 30.342 0.3 . 1 . . . . 489 CYS CB . 18353 1 596 . 1 1 167 167 CYS N N 15 121.106 0.3 . 1 . . . . 489 CYS N . 18353 1 597 . 1 1 168 168 TYR H H 1 9.286 0.020 . 1 . . . . 490 TYR H . 18353 1 598 . 1 1 168 168 TYR CA C 13 54.716 0.3 . 1 . . . . 490 TYR CA . 18353 1 599 . 1 1 168 168 TYR CB C 13 37.682 0.3 . 1 . . . . 490 TYR CB . 18353 1 600 . 1 1 168 168 TYR N N 15 130.605 0.3 . 1 . . . . 490 TYR N . 18353 1 601 . 1 1 169 169 TYR H H 1 7.434 0.020 . 1 . . . . 491 TYR H . 18353 1 602 . 1 1 169 169 TYR CA C 13 52.934 0.3 . 1 . . . . 491 TYR CA . 18353 1 603 . 1 1 169 169 TYR CB C 13 37.446 0.3 . 1 . . . . 491 TYR CB . 18353 1 604 . 1 1 169 169 TYR N N 15 125.043 0.3 . 1 . . . . 491 TYR N . 18353 1 605 . 1 1 170 170 PRO CA C 13 64.851 0.3 . 1 . . . . 492 PRO CA . 18353 1 606 . 1 1 170 170 PRO CB C 13 30.843 0.3 . 1 . . . . 492 PRO CB . 18353 1 607 . 1 1 171 171 GLU H H 1 9.074 0.020 . 1 . . . . 493 GLU H . 18353 1 608 . 1 1 171 171 GLU CA C 13 58.264 0.3 . 1 . . . . 493 GLU CA . 18353 1 609 . 1 1 171 171 GLU CB C 13 28.051 0.3 . 1 . . . . 493 GLU CB . 18353 1 610 . 1 1 171 171 GLU N N 15 115.935 0.3 . 1 . . . . 493 GLU N . 18353 1 611 . 1 1 172 172 ARG H H 1 6.731 0.020 . 1 . . . . 494 ARG H . 18353 1 612 . 1 1 172 172 ARG CA C 13 54.712 0.3 . 1 . . . . 494 ARG CA . 18353 1 613 . 1 1 172 172 ARG CB C 13 31.354 0.3 . 1 . . . . 494 ARG CB . 18353 1 614 . 1 1 172 172 ARG N N 15 114.341 0.3 . 1 . . . . 494 ARG N . 18353 1 615 . 1 1 173 173 ASN H H 1 8.041 0.020 . 1 . . . . 495 ASN H . 18353 1 616 . 1 1 173 173 ASN CA C 13 52.933 0.3 . 1 . . . . 495 ASN CA . 18353 1 617 . 1 1 173 173 ASN CB C 13 36.431 0.3 . 1 . . . . 495 ASN CB . 18353 1 618 . 1 1 173 173 ASN N N 15 118.635 0.3 . 1 . . . . 495 ASN N . 18353 1 619 . 1 1 174 174 GLU H H 1 6.409 0.020 . 1 . . . . 496 GLU H . 18353 1 620 . 1 1 174 174 GLU CA C 13 53.948 0.3 . 1 . . . . 496 GLU CA . 18353 1 621 . 1 1 174 174 GLU CB C 13 34.147 0.3 . 1 . . . . 496 GLU CB . 18353 1 622 . 1 1 174 174 GLU N N 15 114.406 0.3 . 1 . . . . 496 GLU N . 18353 1 623 . 1 1 175 175 TRP H H 1 8.642 0.020 . 1 . . . . 497 TRP H . 18353 1 624 . 1 1 175 175 TRP CA C 13 55.979 0.3 . 1 . . . . 497 TRP CA . 18353 1 625 . 1 1 175 175 TRP CB C 13 31.351 0.3 . 1 . . . . 497 TRP CB . 18353 1 626 . 1 1 175 175 TRP N N 15 124.360 0.3 . 1 . . . . 497 TRP N . 18353 1 627 . 1 1 176 176 ARG H H 1 9.579 0.020 . 1 . . . . 498 ARG H . 18353 1 628 . 1 1 176 176 ARG CA C 13 54.204 0.3 . 1 . . . . 498 ARG CA . 18353 1 629 . 1 1 176 176 ARG CB C 13 33.876 0.3 . 1 . . . . 498 ARG CB . 18353 1 630 . 1 1 176 176 ARG N N 15 119.091 0.3 . 1 . . . . 498 ARG N . 18353 1 631 . 1 1 178 178 ILE H H 1 6.504 0.020 . 1 . . . . 500 ILE H . 18353 1 632 . 1 1 178 178 ILE CA C 13 59.281 0.3 . 1 . . . . 500 ILE CA . 18353 1 633 . 1 1 178 178 ILE CB C 13 39.477 0.3 . 1 . . . . 500 ILE CB . 18353 1 634 . 1 1 178 178 ILE N N 15 117.529 0.3 . 1 . . . . 500 ILE N . 18353 1 635 . 1 1 179 179 THR H H 1 7.793 0.020 . 1 . . . . 501 THR H . 18353 1 636 . 1 1 179 179 THR CA C 13 60.804 0.3 . 1 . . . . 501 THR CA . 18353 1 637 . 1 1 179 179 THR CB C 13 70.455 0.3 . 1 . . . . 501 THR CB . 18353 1 638 . 1 1 179 179 THR N N 15 120.294 0.3 . 1 . . . . 501 THR N . 18353 1 639 . 1 1 180 180 PRO CA C 13 62.154 0.3 . 1 . . . . 502 PRO CA . 18353 1 640 . 1 1 181 181 MET H H 1 7.873 0.020 . 1 . . . . 503 MET H . 18353 1 641 . 1 1 181 181 MET CA C 13 54.964 0.3 . 1 . . . . 503 MET CA . 18353 1 642 . 1 1 181 181 MET CB C 13 33.396 0.3 . 1 . . . . 503 MET CB . 18353 1 643 . 1 1 181 181 MET N N 15 115.511 0.3 . 1 . . . . 503 MET N . 18353 1 644 . 1 1 182 182 ASN H H 1 10.603 0.020 . 1 . . . . 504 ASN H . 18353 1 645 . 1 1 182 182 ASN CA C 13 55.722 0.3 . 1 . . . . 504 ASN CA . 18353 1 646 . 1 1 182 182 ASN CB C 13 39.480 0.3 . 1 . . . . 504 ASN CB . 18353 1 647 . 1 1 182 182 ASN N N 15 118.472 0.3 . 1 . . . . 504 ASN N . 18353 1 648 . 1 1 183 183 THR H H 1 7.610 0.020 . 1 . . . . 505 THR H . 18353 1 649 . 1 1 183 183 THR CA C 13 60.804 0.3 . 1 . . . . 505 THR CA . 18353 1 650 . 1 1 183 183 THR CB C 13 70.451 0.3 . 1 . . . . 505 THR CB . 18353 1 651 . 1 1 183 183 THR N N 15 116.911 0.3 . 1 . . . . 505 THR N . 18353 1 652 . 1 1 184 184 ILE H H 1 7.998 0.020 . 1 . . . . 506 ILE H . 18353 1 653 . 1 1 184 184 ILE CA C 13 62.073 0.3 . 1 . . . . 506 ILE CA . 18353 1 654 . 1 1 184 184 ILE CB C 13 37.446 0.3 . 1 . . . . 506 ILE CB . 18353 1 655 . 1 1 184 184 ILE N N 15 124.946 0.3 . 1 . . . . 506 ILE N . 18353 1 656 . 1 1 185 185 ARG H H 1 7.375 0.020 . 1 . . . . 507 ARG H . 18353 1 657 . 1 1 185 185 ARG CA C 13 54.716 0.3 . 1 . . . . 507 ARG CA . 18353 1 658 . 1 1 185 185 ARG CB C 13 34.663 0.3 . 1 . . . . 507 ARG CB . 18353 1 659 . 1 1 185 185 ARG N N 15 118.149 0.3 . 1 . . . . 507 ARG N . 18353 1 660 . 1 1 186 186 SER H H 1 8.847 0.020 . 1 . . . . 508 SER H . 18353 1 661 . 1 1 186 186 SER CA C 13 56.487 0.3 . 1 . . . . 508 SER CA . 18353 1 662 . 1 1 186 186 SER CB C 13 64.108 0.3 . 1 . . . . 508 SER CB . 18353 1 663 . 1 1 186 186 SER N N 15 116.911 0.3 . 1 . . . . 508 SER N . 18353 1 664 . 1 1 187 187 GLY H H 1 9.279 0.020 . 1 . . . . 509 GLY H . 18353 1 665 . 1 1 187 187 GLY CA C 13 47.348 0.3 . 1 . . . . 509 GLY CA . 18353 1 666 . 1 1 187 187 GLY N N 15 114.829 0.3 . 1 . . . . 509 GLY N . 18353 1 667 . 1 1 188 188 ALA H H 1 7.990 0.020 . 1 . . . . 510 ALA H . 18353 1 668 . 1 1 188 188 ALA CA C 13 50.649 0.3 . 1 . . . . 510 ALA CA . 18353 1 669 . 1 1 188 188 ALA CB C 13 19.165 0.3 . 1 . . . . 510 ALA CB . 18353 1 670 . 1 1 188 188 ALA N N 15 120.034 0.3 . 1 . . . . 510 ALA N . 18353 1 671 . 1 1 189 189 GLY H H 1 9.140 0.020 . 1 . . . . 511 GLY H . 18353 1 672 . 1 1 189 189 GLY CA C 13 44.816 0.3 . 1 . . . . 511 GLY CA . 18353 1 673 . 1 1 189 189 GLY N N 15 107.932 0.3 . 1 . . . . 511 GLY N . 18353 1 674 . 1 1 190 190 VAL H H 1 8.686 0.020 . 1 . . . . 512 VAL H . 18353 1 675 . 1 1 190 190 VAL CA C 13 59.280 0.3 . 1 . . . . 512 VAL CA . 18353 1 676 . 1 1 190 190 VAL CB C 13 34.148 0.3 . 1 . . . . 512 VAL CB . 18353 1 677 . 1 1 190 190 VAL N N 15 128.524 0.3 . 1 . . . . 512 VAL N . 18353 1 678 . 1 1 192 192 VAL H H 1 8.422 0.020 . 1 . . . . 514 VAL H . 18353 1 679 . 1 1 192 192 VAL CA C 13 59.792 0.3 . 1 . . . . 514 VAL CA . 18353 1 680 . 1 1 192 192 VAL CB C 13 33.641 0.3 . 1 . . . . 514 VAL CB . 18353 1 681 . 1 1 192 192 VAL N N 15 119.188 0.3 . 1 . . . . 514 VAL N . 18353 1 682 . 1 1 193 193 LEU H H 1 8.568 0.020 . 1 . . . . 515 LEU H . 18353 1 683 . 1 1 193 193 LEU CA C 13 54.463 0.3 . 1 . . . . 515 LEU CA . 18353 1 684 . 1 1 193 193 LEU CB C 13 43.283 0.3 . 1 . . . . 515 LEU CB . 18353 1 685 . 1 1 193 193 LEU N N 15 126.637 0.3 . 1 . . . . 515 LEU N . 18353 1 686 . 1 1 194 194 HIS H H 1 9.315 0.020 . 1 . . . . 516 HIS H . 18353 1 687 . 1 1 194 194 HIS CA C 13 54.707 0.3 . 1 . . . . 516 HIS CA . 18353 1 688 . 1 1 194 194 HIS CB C 13 27.795 0.3 . 1 . . . . 516 HIS CB . 18353 1 689 . 1 1 194 194 HIS N N 15 127.418 0.3 . 1 . . . . 516 HIS N . 18353 1 690 . 1 1 196 196 CYS H H 1 7.624 0.020 . 1 . . . . 518 CYS H . 18353 1 691 . 1 1 196 196 CYS CA C 13 56.746 0.3 . 1 . . . . 518 CYS CA . 18353 1 692 . 1 1 196 196 CYS CB C 13 31.353 0.3 . 1 . . . . 518 CYS CB . 18353 1 693 . 1 1 196 196 CYS N N 15 113.690 0.3 . 1 . . . . 518 CYS N . 18353 1 694 . 1 1 197 197 ILE H H 1 7.895 0.020 . 1 . . . . 519 ILE H . 18353 1 695 . 1 1 197 197 ILE CA C 13 59.283 0.3 . 1 . . . . 519 ILE CA . 18353 1 696 . 1 1 197 197 ILE CB C 13 37.684 0.3 . 1 . . . . 519 ILE CB . 18353 1 697 . 1 1 197 197 ILE N N 15 121.302 0.3 . 1 . . . . 519 ILE N . 18353 1 698 . 1 1 199 199 ALA H H 1 9.447 0.020 . 1 . . . . 521 ALA H . 18353 1 699 . 1 1 199 199 ALA CA C 13 51.663 0.3 . 1 . . . . 521 ALA CA . 18353 1 700 . 1 1 199 199 ALA CB C 13 17.641 0.3 . 1 . . . . 521 ALA CB . 18353 1 701 . 1 1 199 199 ALA N N 15 129.338 0.3 . 1 . . . . 521 ALA N . 18353 1 702 . 1 1 202 202 GLY H H 1 9.491 0.020 . 1 . . . . 524 GLY H . 18353 1 703 . 1 1 202 202 GLY CA C 13 42.013 0.3 . 1 . . . . 524 GLY CA . 18353 1 704 . 1 1 202 202 GLY N N 15 107.607 0.3 . 1 . . . . 524 GLY N . 18353 1 705 . 1 1 203 203 TYR H H 1 9.096 0.020 . 1 . . . . 525 TYR H . 18353 1 706 . 1 1 203 203 TYR CA C 13 54.965 0.3 . 1 . . . . 525 TYR CA . 18353 1 707 . 1 1 203 203 TYR CB C 13 41.251 0.3 . 1 . . . . 525 TYR CB . 18353 1 708 . 1 1 203 203 TYR N N 15 120.457 0.3 . 1 . . . . 525 TYR N . 18353 1 709 . 1 1 204 204 ASP H H 1 7.829 0.020 . 1 . . . . 526 ASP H . 18353 1 710 . 1 1 204 204 ASP CA C 13 52.679 0.3 . 1 . . . . 526 ASP CA . 18353 1 711 . 1 1 204 204 ASP CB C 13 41.004 0.3 . 1 . . . . 526 ASP CB . 18353 1 712 . 1 1 204 204 ASP N N 15 124.783 0.3 . 1 . . . . 526 ASP N . 18353 1 713 . 1 1 206 206 GLN H H 1 8.371 0.020 . 1 . . . . 528 GLN H . 18353 1 714 . 1 1 206 206 GLN CA C 13 56.742 0.3 . 1 . . . . 528 GLN CA . 18353 1 715 . 1 1 206 206 GLN CB C 13 30.844 0.3 . 1 . . . . 528 GLN CB . 18353 1 716 . 1 1 206 206 GLN N N 15 120.099 0.3 . 1 . . . . 528 GLN N . 18353 1 717 . 1 1 207 207 ASP H H 1 9.608 0.020 . 1 . . . . 529 ASP H . 18353 1 718 . 1 1 207 207 ASP CA C 13 52.934 0.3 . 1 . . . . 529 ASP CA . 18353 1 719 . 1 1 207 207 ASP CB C 13 43.792 0.3 . 1 . . . . 529 ASP CB . 18353 1 720 . 1 1 207 207 ASP N N 15 121.921 0.3 . 1 . . . . 529 ASP N . 18353 1 721 . 1 1 208 208 GLN H H 1 8.012 0.020 . 1 . . . . 530 GLN H . 18353 1 722 . 1 1 208 208 GLN CA C 13 55.470 0.3 . 1 . . . . 530 GLN CA . 18353 1 723 . 1 1 208 208 GLN CB C 13 26.019 0.3 . 1 . . . . 530 GLN CB . 18353 1 724 . 1 1 208 208 GLN N N 15 119.351 0.3 . 1 . . . . 530 GLN N . 18353 1 725 . 1 1 209 209 LEU H H 1 8.802 0.020 . 1 . . . . 531 LEU H . 18353 1 726 . 1 1 209 209 LEU CA C 13 54.193 0.3 . 1 . . . . 531 LEU CA . 18353 1 727 . 1 1 209 209 LEU CB C 13 43.286 0.3 . 1 . . . . 531 LEU CB . 18353 1 728 . 1 1 209 209 LEU N N 15 123.449 0.3 . 1 . . . . 531 LEU N . 18353 1 729 . 1 1 210 210 ASN H H 1 8.517 0.020 . 1 . . . . 532 ASN H . 18353 1 730 . 1 1 210 210 ASN CA C 13 50.393 0.3 . 1 . . . . 532 ASN CA . 18353 1 731 . 1 1 210 210 ASN CB C 13 36.938 0.3 . 1 . . . . 532 ASN CB . 18353 1 732 . 1 1 210 210 ASN N N 15 116.618 0.3 . 1 . . . . 532 ASN N . 18353 1 733 . 1 1 211 211 SER H H 1 7.185 0.020 . 1 . . . . 533 SER H . 18353 1 734 . 1 1 211 211 SER CA C 13 56.491 0.3 . 1 . . . . 533 SER CA . 18353 1 735 . 1 1 211 211 SER CB C 13 64.614 0.3 . 1 . . . . 533 SER CB . 18353 1 736 . 1 1 211 211 SER N N 15 115.512 0.3 . 1 . . . . 533 SER N . 18353 1 737 . 1 1 212 212 VAL H H 1 9.740 0.020 . 1 . . . . 534 VAL H . 18353 1 738 . 1 1 212 212 VAL CA C 13 60.551 0.3 . 1 . . . . 534 VAL CA . 18353 1 739 . 1 1 212 212 VAL CB C 13 34.147 0.3 . 1 . . . . 534 VAL CB . 18353 1 740 . 1 1 212 212 VAL N N 15 123.905 0.3 . 1 . . . . 534 VAL N . 18353 1 741 . 1 1 214 214 ARG H H 1 7.829 0.020 . 1 . . . . 536 ARG H . 18353 1 742 . 1 1 214 214 ARG CA C 13 53.436 0.3 . 1 . . . . 536 ARG CA . 18353 1 743 . 1 1 214 214 ARG CB C 13 30.844 0.3 . 1 . . . . 536 ARG CB . 18353 1 744 . 1 1 214 214 ARG N N 15 120.131 0.3 . 1 . . . . 536 ARG N . 18353 1 745 . 1 1 216 216 ASP H H 1 6.892 0.020 . 1 . . . . 538 ASP H . 18353 1 746 . 1 1 216 216 ASP CA C 13 51.412 0.3 . 1 . . . . 538 ASP CA . 18353 1 747 . 1 1 216 216 ASP CB C 13 42.018 0.3 . 1 . . . . 538 ASP CB . 18353 1 748 . 1 1 216 216 ASP N N 15 126.377 0.3 . 1 . . . . 538 ASP N . 18353 1 749 . 1 1 217 217 VAL H H 1 7.668 0.020 . 1 . . . . 539 VAL H . 18353 1 750 . 1 1 217 217 VAL CA C 13 63.599 0.3 . 1 . . . . 539 VAL CA . 18353 1 751 . 1 1 217 217 VAL CB C 13 31.109 0.3 . 1 . . . . 539 VAL CB . 18353 1 752 . 1 1 217 217 VAL N N 15 122.864 0.3 . 1 . . . . 539 VAL N . 18353 1 753 . 1 1 218 218 GLU H H 1 8.239 0.020 . 1 . . . . 540 GLU H . 18353 1 754 . 1 1 218 218 GLU CA C 13 58.011 0.3 . 1 . . . . 540 GLU CA . 18353 1 755 . 1 1 218 218 GLU CB C 13 28.813 0.3 . 1 . . . . 540 GLU CB . 18353 1 756 . 1 1 218 218 GLU N N 15 118.798 0.3 . 1 . . . . 540 GLU N . 18353 1 757 . 1 1 219 219 THR H H 1 7.236 0.020 . 1 . . . . 541 THR H . 18353 1 758 . 1 1 219 219 THR CA C 13 60.806 0.3 . 1 . . . . 541 THR CA . 18353 1 759 . 1 1 219 219 THR CB C 13 68.928 0.3 . 1 . . . . 541 THR CB . 18353 1 760 . 1 1 219 219 THR N N 15 106.859 0.3 . 1 . . . . 541 THR N . 18353 1 761 . 1 1 220 220 GLU H H 1 7.968 0.020 . 1 . . . . 542 GLU H . 18353 1 762 . 1 1 220 220 GLU CA C 13 56.492 0.3 . 1 . . . . 542 GLU CA . 18353 1 763 . 1 1 220 220 GLU CB C 13 25.764 0.3 . 1 . . . . 542 GLU CB . 18353 1 764 . 1 1 220 220 GLU N N 15 119.611 0.3 . 1 . . . . 542 GLU N . 18353 1 765 . 1 1 221 221 THR H H 1 6.716 0.020 . 1 . . . . 543 THR H . 18353 1 766 . 1 1 221 221 THR CA C 13 59.789 0.3 . 1 . . . . 543 THR CA . 18353 1 767 . 1 1 221 221 THR CB C 13 71.977 0.3 . 1 . . . . 543 THR CB . 18353 1 768 . 1 1 221 221 THR N N 15 109.852 0.3 . 1 . . . . 543 THR N . 18353 1 769 . 1 1 222 222 TRP H H 1 8.978 0.020 . 1 . . . . 544 TRP H . 18353 1 770 . 1 1 222 222 TRP CA C 13 55.474 0.3 . 1 . . . . 544 TRP CA . 18353 1 771 . 1 1 222 222 TRP CB C 13 29.828 0.3 . 1 . . . . 544 TRP CB . 18353 1 772 . 1 1 222 222 TRP N N 15 125.629 0.3 . 1 . . . . 544 TRP N . 18353 1 773 . 1 1 223 223 THR H H 1 9.125 0.020 . 1 . . . . 545 THR H . 18353 1 774 . 1 1 223 223 THR CA C 13 59.783 0.3 . 1 . . . . 545 THR CA . 18353 1 775 . 1 1 223 223 THR CB C 13 71.467 0.3 . 1 . . . . 545 THR CB . 18353 1 776 . 1 1 223 223 THR N N 15 117.691 0.3 . 1 . . . . 545 THR N . 18353 1 777 . 1 1 224 224 PHE H H 1 8.744 0.020 . 1 . . . . 546 PHE H . 18353 1 778 . 1 1 224 224 PHE CA C 13 59.533 0.3 . 1 . . . . 546 PHE CA . 18353 1 779 . 1 1 224 224 PHE CB C 13 39.224 0.3 . 1 . . . . 546 PHE CB . 18353 1 780 . 1 1 224 224 PHE N N 15 122.213 0.3 . 1 . . . . 546 PHE N . 18353 1 781 . 1 1 225 225 VAL H H 1 8.767 0.020 . 1 . . . . 547 VAL H . 18353 1 782 . 1 1 225 225 VAL CA C 13 61.819 0.3 . 1 . . . . 547 VAL CA . 18353 1 783 . 1 1 225 225 VAL CB C 13 33.968 0.3 . 1 . . . . 547 VAL CB . 18353 1 784 . 1 1 225 225 VAL N N 15 125.174 0.3 . 1 . . . . 547 VAL N . 18353 1 785 . 1 1 227 227 PRO CA C 13 61.314 0.3 . 1 . . . . 549 PRO CA . 18353 1 786 . 1 1 227 227 PRO CB C 13 31.355 0.3 . 1 . . . . 549 PRO CB . 18353 1 787 . 1 1 228 228 MET H H 1 7.734 0.020 . 1 . . . . 550 MET H . 18353 1 788 . 1 1 228 228 MET CA C 13 55.216 0.3 . 1 . . . . 550 MET CA . 18353 1 789 . 1 1 228 228 MET CB C 13 34.146 0.3 . 1 . . . . 550 MET CB . 18353 1 790 . 1 1 228 228 MET N N 15 115.317 0.3 . 1 . . . . 550 MET N . 18353 1 791 . 1 1 230 230 HIS H H 1 8.151 0.020 . 1 . . . . 552 HIS H . 18353 1 792 . 1 1 230 230 HIS CA C 13 54.204 0.3 . 1 . . . . 552 HIS CA . 18353 1 793 . 1 1 230 230 HIS CB C 13 30.336 0.3 . 1 . . . . 552 HIS CB . 18353 1 794 . 1 1 230 230 HIS N N 15 116.651 0.3 . 1 . . . . 552 HIS N . 18353 1 795 . 1 1 231 231 HIS H H 1 8.561 0.020 . 1 . . . . 553 HIS H . 18353 1 796 . 1 1 231 231 HIS CA C 13 55.205 0.3 . 1 . . . . 553 HIS CA . 18353 1 797 . 1 1 231 231 HIS CB C 13 28.309 0.3 . 1 . . . . 553 HIS CB . 18353 1 798 . 1 1 231 231 HIS N N 15 121.302 0.3 . 1 . . . . 553 HIS N . 18353 1 799 . 1 1 232 232 ARG H H 1 7.829 0.020 . 1 . . . . 554 ARG H . 18353 1 800 . 1 1 232 232 ARG CA C 13 54.718 0.3 . 1 . . . . 554 ARG CA . 18353 1 801 . 1 1 232 232 ARG CB C 13 34.654 0.3 . 1 . . . . 554 ARG CB . 18353 1 802 . 1 1 232 232 ARG N N 15 113.820 0.3 . 1 . . . . 554 ARG N . 18353 1 803 . 1 1 233 233 SER H H 1 8.839 0.020 . 1 . . . . 555 SER H . 18353 1 804 . 1 1 233 233 SER CA C 13 56.491 0.3 . 1 . . . . 555 SER CA . 18353 1 805 . 1 1 233 233 SER CB C 13 65.122 0.3 . 1 . . . . 555 SER CB . 18353 1 806 . 1 1 233 233 SER N N 15 114.536 0.3 . 1 . . . . 555 SER N . 18353 1 807 . 1 1 234 234 ALA H H 1 9.791 0.020 . 1 . . . . 556 ALA H . 18353 1 808 . 1 1 234 234 ALA CA C 13 52.931 0.3 . 1 . . . . 556 ALA CA . 18353 1 809 . 1 1 234 234 ALA CB C 13 15.866 0.3 . 1 . . . . 556 ALA CB . 18353 1 810 . 1 1 234 234 ALA N N 15 122.018 0.3 . 1 . . . . 556 ALA N . 18353 1 811 . 1 1 235 235 LEU H H 1 7.075 0.020 . 1 . . . . 557 LEU H . 18353 1 812 . 1 1 235 235 LEU CA C 13 54.206 0.3 . 1 . . . . 557 LEU CA . 18353 1 813 . 1 1 235 235 LEU CB C 13 42.526 0.3 . 1 . . . . 557 LEU CB . 18353 1 814 . 1 1 235 235 LEU N N 15 113.820 0.3 . 1 . . . . 557 LEU N . 18353 1 815 . 1 1 236 236 GLY H H 1 8.803 0.020 . 1 . . . . 558 GLY H . 18353 1 816 . 1 1 236 236 GLY CA C 13 43.796 0.3 . 1 . . . . 558 GLY CA . 18353 1 817 . 1 1 236 236 GLY N N 15 109.103 0.3 . 1 . . . . 558 GLY N . 18353 1 818 . 1 1 237 237 ILE H H 1 8.825 0.020 . 1 . . . . 559 ILE H . 18353 1 819 . 1 1 237 237 ILE CA C 13 59.027 0.3 . 1 . . . . 559 ILE CA . 18353 1 820 . 1 1 237 237 ILE CB C 13 42.523 0.3 . 1 . . . . 559 ILE CB . 18353 1 821 . 1 1 237 237 ILE N N 15 124.718 0.3 . 1 . . . . 559 ILE N . 18353 1 822 . 1 1 238 238 THR H H 1 8.210 0.020 . 1 . . . . 560 THR H . 18353 1 823 . 1 1 238 238 THR CA C 13 59.791 0.3 . 1 . . . . 560 THR CA . 18353 1 824 . 1 1 238 238 THR CB C 13 69.184 0.3 . 1 . . . . 560 THR CB . 18353 1 825 . 1 1 238 238 THR N N 15 116.651 0.3 . 1 . . . . 560 THR N . 18353 1 826 . 1 1 239 239 VAL H H 1 8.467 0.020 . 1 . . . . 561 VAL H . 18353 1 827 . 1 1 239 239 VAL CA C 13 55.219 0.3 . 1 . . . . 561 VAL CA . 18353 1 828 . 1 1 239 239 VAL CB C 13 32.369 0.3 . 1 . . . . 561 VAL CB . 18353 1 829 . 1 1 239 239 VAL N N 15 120.779 0.3 . 1 . . . . 561 VAL N . 18353 1 830 . 1 1 240 240 HIS H H 1 8.166 0.020 . 1 . . . . 562 HIS H . 18353 1 831 . 1 1 240 240 HIS CA C 13 53.442 0.3 . 1 . . . . 562 HIS CA . 18353 1 832 . 1 1 240 240 HIS CB C 13 28.561 0.3 . 1 . . . . 562 HIS CB . 18353 1 833 . 1 1 240 240 HIS N N 15 122.799 0.3 . 1 . . . . 562 HIS N . 18353 1 834 . 1 1 242 242 GLY H H 1 8.364 0.020 . 1 . . . . 564 GLY H . 18353 1 835 . 1 1 242 242 GLY CA C 13 45.575 0.3 . 1 . . . . 564 GLY CA . 18353 1 836 . 1 1 242 242 GLY N N 15 104.094 0.3 . 1 . . . . 564 GLY N . 18353 1 837 . 1 1 243 243 LYS H H 1 7.551 0.020 . 1 . . . . 565 LYS H . 18353 1 838 . 1 1 243 243 LYS CA C 13 53.949 0.3 . 1 . . . . 565 LYS CA . 18353 1 839 . 1 1 243 243 LYS CB C 13 35.413 0.3 . 1 . . . . 565 LYS CB . 18353 1 840 . 1 1 243 243 LYS N N 15 116.976 0.3 . 1 . . . . 565 LYS N . 18353 1 841 . 1 1 248 248 GLY H H 1 7.405 0.020 . 1 . . . . 570 GLY H . 18353 1 842 . 1 1 248 248 GLY CA C 13 46.335 0.3 . 1 . . . . 570 GLY CA . 18353 1 843 . 1 1 248 248 GLY N N 15 107.932 0.3 . 1 . . . . 570 GLY N . 18353 1 844 . 1 1 249 249 GLY H H 1 8.920 0.020 . 1 . . . . 571 GLY H . 18353 1 845 . 1 1 249 249 GLY CA C 13 42.272 0.3 . 1 . . . . 571 GLY CA . 18353 1 846 . 1 1 249 249 GLY N N 15 106.956 0.3 . 1 . . . . 571 GLY N . 18353 1 847 . 1 1 250 250 TYR H H 1 9.044 0.020 . 1 . . . . 572 TYR H . 18353 1 848 . 1 1 250 250 TYR CA C 13 54.962 0.3 . 1 . . . . 572 TYR CA . 18353 1 849 . 1 1 250 250 TYR CB C 13 41.254 0.3 . 1 . . . . 572 TYR CB . 18353 1 850 . 1 1 250 250 TYR N N 15 121.335 0.3 . 1 . . . . 572 TYR N . 18353 1 851 . 1 1 251 251 ASP H H 1 7.712 0.020 . 1 . . . . 573 ASP H . 18353 1 852 . 1 1 251 251 ASP CA C 13 52.426 0.3 . 1 . . . . 573 ASP CA . 18353 1 853 . 1 1 251 251 ASP CB C 13 42.019 0.3 . 1 . . . . 573 ASP CB . 18353 1 854 . 1 1 251 251 ASP N N 15 124.718 0.3 . 1 . . . . 573 ASP N . 18353 1 855 . 1 1 252 252 GLY H H 1 8.276 0.020 . 1 . . . . 574 GLY H . 18353 1 856 . 1 1 252 252 GLY CA C 13 44.300 0.3 . 1 . . . . 574 GLY CA . 18353 1 857 . 1 1 252 252 GLY N N 15 111.869 0.3 . 1 . . . . 574 GLY N . 18353 1 858 . 1 1 253 253 HIS H H 1 8.166 0.020 . 1 . . . . 575 HIS H . 18353 1 859 . 1 1 253 253 HIS CA C 13 56.994 0.3 . 1 . . . . 575 HIS CA . 18353 1 860 . 1 1 253 253 HIS CB C 13 31.605 0.3 . 1 . . . . 575 HIS CB . 18353 1 861 . 1 1 253 253 HIS N N 15 118.179 0.3 . 1 . . . . 575 HIS N . 18353 1 862 . 1 1 254 254 THR H H 1 9.491 0.020 . 1 . . . . 576 THR H . 18353 1 863 . 1 1 254 254 THR CA C 13 59.788 0.3 . 1 . . . . 576 THR CA . 18353 1 864 . 1 1 254 254 THR CB C 13 70.453 0.3 . 1 . . . . 576 THR CB . 18353 1 865 . 1 1 254 254 THR N N 15 118.635 0.3 . 1 . . . . 576 THR N . 18353 1 866 . 1 1 255 255 PHE H H 1 8.232 0.020 . 1 . . . . 577 PHE H . 18353 1 867 . 1 1 255 255 PHE CA C 13 57.503 0.3 . 1 . . . . 577 PHE CA . 18353 1 868 . 1 1 255 255 PHE CB C 13 37.957 0.3 . 1 . . . . 577 PHE CB . 18353 1 869 . 1 1 255 255 PHE N N 15 122.474 0.3 . 1 . . . . 577 PHE N . 18353 1 870 . 1 1 256 256 LEU H H 1 8.891 0.020 . 1 . . . . 578 LEU H . 18353 1 871 . 1 1 256 256 LEU CA C 13 54.965 0.3 . 1 . . . . 578 LEU CA . 18353 1 872 . 1 1 256 256 LEU CB C 13 42.524 0.3 . 1 . . . . 578 LEU CB . 18353 1 873 . 1 1 256 256 LEU N N 15 125.336 0.3 . 1 . . . . 578 LEU N . 18353 1 874 . 1 1 257 257 ASP H H 1 8.071 0.020 . 1 . . . . 579 ASP H . 18353 1 875 . 1 1 257 257 ASP CA C 13 51.405 0.3 . 1 . . . . 579 ASP CA . 18353 1 876 . 1 1 257 257 ASP CB C 13 39.985 0.3 . 1 . . . . 579 ASP CB . 18353 1 877 . 1 1 257 257 ASP N N 15 116.065 0.3 . 1 . . . . 579 ASP N . 18353 1 878 . 1 1 258 258 SER H H 1 6.848 0.020 . 1 . . . . 580 SER H . 18353 1 879 . 1 1 258 258 SER CA C 13 59.029 0.3 . 1 . . . . 580 SER CA . 18353 1 880 . 1 1 258 258 SER CB C 13 62.327 0.3 . 1 . . . . 580 SER CB . 18353 1 881 . 1 1 258 258 SER N N 15 114.569 0.3 . 1 . . . . 580 SER N . 18353 1 882 . 1 1 259 259 VAL H H 1 7.990 0.020 . 1 . . . . 581 VAL H . 18353 1 883 . 1 1 259 259 VAL CA C 13 60.043 0.3 . 1 . . . . 581 VAL CA . 18353 1 884 . 1 1 259 259 VAL CB C 13 32.111 0.3 . 1 . . . . 581 VAL CB . 18353 1 885 . 1 1 259 259 VAL N N 15 130.509 0.3 . 1 . . . . 581 VAL N . 18353 1 886 . 1 1 261 261 CYS H H 1 7.492 0.020 . 1 . . . . 583 CYS H . 18353 1 887 . 1 1 261 261 CYS CA C 13 54.203 0.3 . 1 . . . . 583 CYS CA . 18353 1 888 . 1 1 261 261 CYS CB C 13 32.365 0.3 . 1 . . . . 583 CYS CB . 18353 1 889 . 1 1 261 261 CYS N N 15 118.830 0.3 . 1 . . . . 583 CYS N . 18353 1 890 . 1 1 262 262 TYR H H 1 9.798 0.020 . 1 . . . . 584 TYR H . 18353 1 891 . 1 1 262 262 TYR CA C 13 52.172 0.3 . 1 . . . . 584 TYR CA . 18353 1 892 . 1 1 262 262 TYR CB C 13 38.970 0.3 . 1 . . . . 584 TYR CB . 18353 1 893 . 1 1 262 262 TYR N N 15 125.011 0.3 . 1 . . . . 584 TYR N . 18353 1 894 . 1 1 263 263 ASP H H 1 8.583 0.020 . 1 . . . . 585 ASP H . 18353 1 895 . 1 1 263 263 ASP CA C 13 57.756 0.3 . 1 . . . . 585 ASP CA . 18353 1 896 . 1 1 263 263 ASP CB C 13 38.972 0.3 . 1 . . . . 585 ASP CB . 18353 1 897 . 1 1 263 263 ASP N N 15 123.937 0.3 . 1 . . . . 585 ASP N . 18353 1 898 . 1 1 264 264 PRO CA C 13 63.347 0.3 . 1 . . . . 586 PRO CA . 18353 1 899 . 1 1 264 264 PRO CB C 13 30.592 0.3 . 1 . . . . 586 PRO CB . 18353 1 900 . 1 1 265 265 ASP H H 1 7.880 0.020 . 1 . . . . 587 ASP H . 18353 1 901 . 1 1 265 265 ASP CA C 13 56.491 0.3 . 1 . . . . 587 ASP CA . 18353 1 902 . 1 1 265 265 ASP CB C 13 39.733 0.3 . 1 . . . . 587 ASP CB . 18353 1 903 . 1 1 265 265 ASP N N 15 119.578 0.3 . 1 . . . . 587 ASP N . 18353 1 904 . 1 1 266 266 SER H H 1 6.936 0.020 . 1 . . . . 588 SER H . 18353 1 905 . 1 1 266 266 SER CA C 13 56.994 0.3 . 1 . . . . 588 SER CA . 18353 1 906 . 1 1 266 266 SER CB C 13 63.598 0.3 . 1 . . . . 588 SER CB . 18353 1 907 . 1 1 266 266 SER N N 15 110.372 0.3 . 1 . . . . 588 SER N . 18353 1 908 . 1 1 267 267 ASP H H 1 7.932 0.020 . 1 . . . . 589 ASP H . 18353 1 909 . 1 1 267 267 ASP CA C 13 54.205 0.3 . 1 . . . . 589 ASP CA . 18353 1 910 . 1 1 267 267 ASP CB C 13 38.969 0.3 . 1 . . . . 589 ASP CB . 18353 1 911 . 1 1 267 267 ASP N N 15 124.425 0.3 . 1 . . . . 589 ASP N . 18353 1 912 . 1 1 268 268 THR H H 1 6.570 0.020 . 1 . . . . 590 THR H . 18353 1 913 . 1 1 268 268 THR CA C 13 59.284 0.3 . 1 . . . . 590 THR CA . 18353 1 914 . 1 1 268 268 THR CB C 13 72.486 0.3 . 1 . . . . 590 THR CB . 18353 1 915 . 1 1 268 268 THR N N 15 105.655 0.3 . 1 . . . . 590 THR N . 18353 1 916 . 1 1 269 269 TRP H H 1 8.788 0.020 . 1 . . . . 591 TRP H . 18353 1 917 . 1 1 269 269 TRP CA C 13 55.727 0.3 . 1 . . . . 591 TRP CA . 18353 1 918 . 1 1 269 269 TRP CB C 13 30.589 0.3 . 1 . . . . 591 TRP CB . 18353 1 919 . 1 1 269 269 TRP N N 15 124.165 0.3 . 1 . . . . 591 TRP N . 18353 1 920 . 1 1 270 270 SER H H 1 9.103 0.020 . 1 . . . . 592 SER H . 18353 1 921 . 1 1 270 270 SER CA C 13 56.488 0.3 . 1 . . . . 592 SER CA . 18353 1 922 . 1 1 270 270 SER CB C 13 65.123 0.3 . 1 . . . . 592 SER CB . 18353 1 923 . 1 1 270 270 SER N N 15 116.097 0.3 . 1 . . . . 592 SER N . 18353 1 924 . 1 1 271 271 GLU H H 1 9.081 0.020 . 1 . . . . 593 GLU H . 18353 1 925 . 1 1 271 271 GLU CA C 13 56.489 0.3 . 1 . . . . 593 GLU CA . 18353 1 926 . 1 1 271 271 GLU CB C 13 29.319 0.3 . 1 . . . . 593 GLU CB . 18353 1 927 . 1 1 271 271 GLU N N 15 125.011 0.3 . 1 . . . . 593 GLU N . 18353 1 928 . 1 1 272 272 VAL H H 1 8.283 0.020 . 1 . . . . 594 VAL H . 18353 1 929 . 1 1 272 272 VAL CA C 13 61.567 0.3 . 1 . . . . 594 VAL CA . 18353 1 930 . 1 1 272 272 VAL CB C 13 32.888 0.3 . 1 . . . . 594 VAL CB . 18353 1 931 . 1 1 272 272 VAL N N 15 119.546 0.3 . 1 . . . . 594 VAL N . 18353 1 932 . 1 1 273 273 THR H H 1 7.602 0.020 . 1 . . . . 595 THR H . 18353 1 933 . 1 1 273 273 THR CA C 13 60.293 0.3 . 1 . . . . 595 THR CA . 18353 1 934 . 1 1 273 273 THR CB C 13 66.896 0.3 . 1 . . . . 595 THR CB . 18353 1 935 . 1 1 273 273 THR N N 15 113.983 0.3 . 1 . . . . 595 THR N . 18353 1 936 . 1 1 274 274 ARG H H 1 8.276 0.020 . 1 . . . . 596 ARG H . 18353 1 937 . 1 1 274 274 ARG CA C 13 53.697 0.3 . 1 . . . . 596 ARG CA . 18353 1 938 . 1 1 274 274 ARG CB C 13 32.369 0.3 . 1 . . . . 596 ARG CB . 18353 1 939 . 1 1 274 274 ARG N N 15 120.359 0.3 . 1 . . . . 596 ARG N . 18353 1 940 . 1 1 275 275 MET H H 1 9.169 0.020 . 1 . . . . 597 MET H . 18353 1 941 . 1 1 275 275 MET CA C 13 54.967 0.3 . 1 . . . . 597 MET CA . 18353 1 942 . 1 1 275 275 MET CB C 13 34.399 0.3 . 1 . . . . 597 MET CB . 18353 1 943 . 1 1 275 275 MET N N 15 119.416 0.3 . 1 . . . . 597 MET N . 18353 1 944 . 1 1 276 276 THR H H 1 8.510 0.020 . 1 . . . . 598 THR H . 18353 1 945 . 1 1 276 276 THR CA C 13 63.596 0.3 . 1 . . . . 598 THR CA . 18353 1 946 . 1 1 276 276 THR CB C 13 67.659 0.3 . 1 . . . . 598 THR CB . 18353 1 947 . 1 1 276 276 THR N N 15 111.999 0.3 . 1 . . . . 598 THR N . 18353 1 948 . 1 1 277 277 SER H H 1 6.533 0.020 . 1 . . . . 599 SER H . 18353 1 949 . 1 1 277 277 SER CA C 13 57.503 0.3 . 1 . . . . 599 SER CA . 18353 1 950 . 1 1 277 277 SER CB C 13 62.585 0.3 . 1 . . . . 599 SER CB . 18353 1 951 . 1 1 277 277 SER N N 15 108.941 0.3 . 1 . . . . 599 SER N . 18353 1 952 . 1 1 278 278 GLY H H 1 8.473 0.020 . 1 . . . . 600 GLY H . 18353 1 953 . 1 1 278 278 GLY CA C 13 44.807 0.3 . 1 . . . . 600 GLY CA . 18353 1 954 . 1 1 278 278 GLY N N 15 109.982 0.3 . 1 . . . . 600 GLY N . 18353 1 955 . 1 1 279 279 ARG H H 1 7.734 0.020 . 1 . . . . 601 ARG H . 18353 1 956 . 1 1 279 279 ARG CA C 13 55.221 0.3 . 1 . . . . 601 ARG CA . 18353 1 957 . 1 1 279 279 ARG CB C 13 31.100 0.3 . 1 . . . . 601 ARG CB . 18353 1 958 . 1 1 279 279 ARG N N 15 114.308 0.3 . 1 . . . . 601 ARG N . 18353 1 959 . 1 1 280 280 SER H H 1 9.125 0.020 . 1 . . . . 602 SER H . 18353 1 960 . 1 1 280 280 SER CA C 13 55.983 0.3 . 1 . . . . 602 SER CA . 18353 1 961 . 1 1 280 280 SER CB C 13 66.136 0.3 . 1 . . . . 602 SER CB . 18353 1 962 . 1 1 280 280 SER N N 15 114.406 0.3 . 1 . . . . 602 SER N . 18353 1 963 . 1 1 281 281 GLY H H 1 9.630 0.020 . 1 . . . . 603 GLY H . 18353 1 964 . 1 1 281 281 GLY CA C 13 48.110 0.3 . 1 . . . . 603 GLY CA . 18353 1 965 . 1 1 281 281 GLY N N 15 106.664 0.3 . 1 . . . . 603 GLY N . 18353 1 966 . 1 1 282 282 VAL H H 1 6.658 0.020 . 1 . . . . 604 VAL H . 18353 1 967 . 1 1 282 282 VAL CA C 13 59.277 0.3 . 1 . . . . 604 VAL CA . 18353 1 968 . 1 1 282 282 VAL CB C 13 31.861 0.3 . 1 . . . . 604 VAL CB . 18353 1 969 . 1 1 282 282 VAL N N 15 108.420 0.3 . 1 . . . . 604 VAL N . 18353 1 970 . 1 1 283 283 GLY H H 1 8.898 0.020 . 1 . . . . 605 GLY H . 18353 1 971 . 1 1 283 283 GLY CA C 13 44.045 0.3 . 1 . . . . 605 GLY CA . 18353 1 972 . 1 1 283 283 GLY N N 15 108.843 0.3 . 1 . . . . 605 GLY N . 18353 1 973 . 1 1 284 284 VAL H H 1 8.898 0.020 . 1 . . . . 606 VAL H . 18353 1 974 . 1 1 284 284 VAL CA C 13 59.279 0.3 . 1 . . . . 606 VAL CA . 18353 1 975 . 1 1 284 284 VAL CB C 13 34.656 0.3 . 1 . . . . 606 VAL CB . 18353 1 976 . 1 1 284 284 VAL N N 15 123.092 0.3 . 1 . . . . 606 VAL N . 18353 1 977 . 1 1 285 285 ALA H H 1 8.576 0.020 . 1 . . . . 607 ALA H . 18353 1 978 . 1 1 285 285 ALA CA C 13 51.158 0.3 . 1 . . . . 607 ALA CA . 18353 1 979 . 1 1 285 285 ALA CB C 13 21.943 0.3 . 1 . . . . 607 ALA CB . 18353 1 980 . 1 1 285 285 ALA N N 15 124.198 0.3 . 1 . . . . 607 ALA N . 18353 1 981 . 1 1 286 286 VAL H H 1 8.261 0.020 . 1 . . . . 608 VAL H . 18353 1 982 . 1 1 286 286 VAL CA C 13 59.541 0.3 . 1 . . . . 608 VAL CA . 18353 1 983 . 1 1 286 286 VAL CB C 13 34.395 0.3 . 1 . . . . 608 VAL CB . 18353 1 984 . 1 1 286 286 VAL N N 15 119.351 0.3 . 1 . . . . 608 VAL N . 18353 1 985 . 1 1 288 288 MET H H 1 8.100 0.020 . 1 . . . . 610 MET H . 18353 1 986 . 1 1 288 288 MET CA C 13 60.552 0.3 . 1 . . . . 610 MET CA . 18353 1 987 . 1 1 288 288 MET CB C 13 33.893 0.3 . 1 . . . . 610 MET CB . 18353 1 988 . 1 1 288 288 MET N N 15 122.311 0.3 . 1 . . . . 610 MET N . 18353 1 989 . 1 1 289 289 GLU H H 1 9.015 0.020 . 1 . . . . 611 GLU H . 18353 1 990 . 1 1 289 289 GLU CA C 13 56.489 0.3 . 1 . . . . 611 GLU CA . 18353 1 991 . 1 1 289 289 GLU CB C 13 33.130 0.3 . 1 . . . . 611 GLU CB . 18353 1 992 . 1 1 289 289 GLU N N 15 126.182 0.3 . 1 . . . . 611 GLU N . 18353 1 stop_ save_