data_53110 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53110 _Entry.Title ; Androgen Receptor allTau-5 4G CtoS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-05 _Entry.Accession_date 2025-05-05 _Entry.Last_release_date 2025-05-06 _Entry.Original_release_date 2025-05-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; allTau-5 is the C-terminal fragment of the Androgen Receptor Activation Domain. The 4G CtoS mutant contains only four glycines in the polyG region, and all three cysteines have been substituted with serines. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stase Bielskute . . . 0000-0001-8510-6098 53110 2 Borja Mateos . . . 0000-0002-0310-4943 53110 3 Jesus Garcia . . . 0000-0003-2961-9790 53110 4 Xavier Salvatella . . . 0000-0002-8371-4185 53110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 53110 '15N chemical shifts' 181 53110 '1H chemical shifts' 181 53110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-12 . original BMRB . 53110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53096 'Estrogen Receptor alpha Activation Domain (ERa AD)' 53110 BMRB 53097 'Glucocorticoid receptor Activation Domain (GR AD)' 53110 BMRB 53098 'Mineralocorticoid Receptor Activation Domain (MR AD)' 53110 BMRB 53099 'Mineralocorticoid Receptor Activation Domain (MR AD) 2M urea' 53110 BMRB 53100 'Androgen Receptor Tau-5* noAro' 53110 BMRB 53101 'Androgen Receptor Tau-5* A398P' 53110 BMRB 53102 'Androgen Receptor Tau-5* AAA' 53110 BMRB 53103 'Androgen Receptor Tau-5* G407A' 53110 BMRB 53104 'Androgen Receptor Tau-5* dC448' 53110 BMRB 53105 'Androgen Receptor Tau-5*' 53110 BMRB 53106 'Androgen Receptor Tau-5* C404Y' 53110 BMRB 53108 'Androgen Receptor Nt L26P' 53110 BMRB 53109 'Androgen Receptor allTau-5' 53110 BMRB 53111 'Androgen Receptor allTau-5 4G CtoS PP' 53110 BMRB 53112 'Progesterone Receptor Activation Domain (PR AD)' 53110 BMRB 53113 'AR Tau-5* C404S covalent dimer' 53110 BMRB 53114 'AR Tau-5* C404S C448-IAM' 53110 BMRB 53115 'AR Tau-5* (dC448) C404 - EPI-001 covalent adduct' 53110 BMRB 53116 'AR Tau-5* h2SA' 53110 BMRB 53117 'AR Tau-5* h3A' 53110 BMRB 53118 'AR Tau-5* L436P' 53110 BMRB 53119 'AR Tau-5* PP' 53110 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53110 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stase Bielskute . . . . 53110 1 2 Borja Mateos . . . . 53110 1 3 Muhammad Awawdy . . . . 53110 1 4 Carla Garcia-Cabau . . . . 53110 1 5 Henri Niskanen . . . . 53110 1 6 Carolina Sanchez-Zarzalejo . . . . 53110 1 7 Lorenzo Bracaglia . . . . 53110 1 8 Roberta Pierattelli . . . . 53110 1 9 Isabella Felli . C. . . 53110 1 10 Marta Frigole-Vivas . . . . 53110 1 11 Jesus Garcia . . . . 53110 1 12 Antoni Riera . . . . 53110 1 13 Denes Hnisz . . . . 53110 1 14 Xavier Salvatella . . . . 53110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53110 _Assembly.ID 1 _Assembly.Name 'AR allTau-5 4G CtoS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'AR allTau-5 4G CtoS' 1 $entity_1 . . yes native no no . . . 53110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPAAGSSGTLELPSTLSLYK SGALDEAAAYQSRDYYNFPL ALAGPPPPPPPPHPHARIKL ENPLDYGSAWAAAAAQSRYG DLASLHGAGAAGPGSGSPSA AASSSWHTLFTAEEGQLYGP SGGGGEAGAVAPYGYTRPPQ GLAGQESDFTAPDVWYPGGM VSRVPYPSPTSVKSEMGPWM DSYSGPYGDMRLETARDHVL PIDYYFPPQKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 328 GLY . 53110 1 2 329 PRO . 53110 1 3 330 ALA . 53110 1 4 331 ALA . 53110 1 5 332 GLY . 53110 1 6 333 SER . 53110 1 7 334 SER . 53110 1 8 335 GLY . 53110 1 9 336 THR . 53110 1 10 337 LEU . 53110 1 11 338 GLU . 53110 1 12 339 LEU . 53110 1 13 340 PRO . 53110 1 14 341 SER . 53110 1 15 342 THR . 53110 1 16 343 LEU . 53110 1 17 344 SER . 53110 1 18 345 LEU . 53110 1 19 346 TYR . 53110 1 20 347 LYS . 53110 1 21 348 SER . 53110 1 22 349 GLY . 53110 1 23 350 ALA . 53110 1 24 351 LEU . 53110 1 25 352 ASP . 53110 1 26 353 GLU . 53110 1 27 354 ALA . 53110 1 28 355 ALA . 53110 1 29 356 ALA . 53110 1 30 357 TYR . 53110 1 31 358 GLN . 53110 1 32 359 SER . 53110 1 33 360 ARG . 53110 1 34 361 ASP . 53110 1 35 362 TYR . 53110 1 36 363 TYR . 53110 1 37 364 ASN . 53110 1 38 365 PHE . 53110 1 39 366 PRO . 53110 1 40 367 LEU . 53110 1 41 368 ALA . 53110 1 42 369 LEU . 53110 1 43 370 ALA . 53110 1 44 371 GLY . 53110 1 45 372 PRO . 53110 1 46 373 PRO . 53110 1 47 374 PRO . 53110 1 48 375 PRO . 53110 1 49 376 PRO . 53110 1 50 377 PRO . 53110 1 51 378 PRO . 53110 1 52 379 PRO . 53110 1 53 380 HIS . 53110 1 54 381 PRO . 53110 1 55 382 HIS . 53110 1 56 383 ALA . 53110 1 57 384 ARG . 53110 1 58 385 ILE . 53110 1 59 386 LYS . 53110 1 60 387 LEU . 53110 1 61 388 GLU . 53110 1 62 389 ASN . 53110 1 63 390 PRO . 53110 1 64 391 LEU . 53110 1 65 392 ASP . 53110 1 66 393 TYR . 53110 1 67 394 GLY . 53110 1 68 395 SER . 53110 1 69 396 ALA . 53110 1 70 397 TRP . 53110 1 71 398 ALA . 53110 1 72 399 ALA . 53110 1 73 400 ALA . 53110 1 74 401 ALA . 53110 1 75 402 ALA . 53110 1 76 403 GLN . 53110 1 77 404 SER . 53110 1 78 405 ARG . 53110 1 79 406 TYR . 53110 1 80 407 GLY . 53110 1 81 408 ASP . 53110 1 82 409 LEU . 53110 1 83 410 ALA . 53110 1 84 411 SER . 53110 1 85 412 LEU . 53110 1 86 413 HIS . 53110 1 87 414 GLY . 53110 1 88 415 ALA . 53110 1 89 416 GLY . 53110 1 90 417 ALA . 53110 1 91 418 ALA . 53110 1 92 419 GLY . 53110 1 93 420 PRO . 53110 1 94 421 GLY . 53110 1 95 422 SER . 53110 1 96 423 GLY . 53110 1 97 424 SER . 53110 1 98 425 PRO . 53110 1 99 426 SER . 53110 1 100 427 ALA . 53110 1 101 428 ALA . 53110 1 102 429 ALA . 53110 1 103 430 SER . 53110 1 104 431 SER . 53110 1 105 432 SER . 53110 1 106 433 TRP . 53110 1 107 434 HIS . 53110 1 108 435 THR . 53110 1 109 436 LEU . 53110 1 110 437 PHE . 53110 1 111 438 THR . 53110 1 112 439 ALA . 53110 1 113 440 GLU . 53110 1 114 441 GLU . 53110 1 115 442 GLY . 53110 1 116 443 GLN . 53110 1 117 444 LEU . 53110 1 118 445 TYR . 53110 1 119 446 GLY . 53110 1 120 447 PRO . 53110 1 121 448 SER . 53110 1 122 449 GLY . 53110 1 123 450 GLY . 53110 1 124 451 GLY . 53110 1 125 452 GLY . 53110 1 126 453 GLU . 53110 1 127 454 ALA . 53110 1 128 455 GLY . 53110 1 129 456 ALA . 53110 1 130 457 VAL . 53110 1 131 458 ALA . 53110 1 132 459 PRO . 53110 1 133 460 TYR . 53110 1 134 461 GLY . 53110 1 135 462 TYR . 53110 1 136 463 THR . 53110 1 137 464 ARG . 53110 1 138 465 PRO . 53110 1 139 466 PRO . 53110 1 140 467 GLN . 53110 1 141 468 GLY . 53110 1 142 469 LEU . 53110 1 143 470 ALA . 53110 1 144 471 GLY . 53110 1 145 472 GLN . 53110 1 146 473 GLU . 53110 1 147 474 SER . 53110 1 148 475 ASP . 53110 1 149 476 PHE . 53110 1 150 477 THR . 53110 1 151 478 ALA . 53110 1 152 479 PRO . 53110 1 153 480 ASP . 53110 1 154 481 VAL . 53110 1 155 482 TRP . 53110 1 156 483 TYR . 53110 1 157 484 PRO . 53110 1 158 485 GLY . 53110 1 159 486 GLY . 53110 1 160 487 MET . 53110 1 161 488 VAL . 53110 1 162 489 SER . 53110 1 163 490 ARG . 53110 1 164 491 VAL . 53110 1 165 492 PRO . 53110 1 166 493 TYR . 53110 1 167 494 PRO . 53110 1 168 495 SER . 53110 1 169 496 PRO . 53110 1 170 497 THR . 53110 1 171 498 SER . 53110 1 172 499 VAL . 53110 1 173 500 LYS . 53110 1 174 501 SER . 53110 1 175 502 GLU . 53110 1 176 503 MET . 53110 1 177 504 GLY . 53110 1 178 505 PRO . 53110 1 179 506 TRP . 53110 1 180 507 MET . 53110 1 181 508 ASP . 53110 1 182 509 SER . 53110 1 183 510 TYR . 53110 1 184 511 SER . 53110 1 185 512 GLY . 53110 1 186 513 PRO . 53110 1 187 514 TYR . 53110 1 188 515 GLY . 53110 1 189 516 ASP . 53110 1 190 517 MET . 53110 1 191 518 ARG . 53110 1 192 519 LEU . 53110 1 193 520 GLU . 53110 1 194 521 THR . 53110 1 195 522 ALA . 53110 1 196 523 ARG . 53110 1 197 524 ASP . 53110 1 198 525 HIS . 53110 1 199 526 VAL . 53110 1 200 527 LEU . 53110 1 201 528 PRO . 53110 1 202 529 ILE . 53110 1 203 530 ASP . 53110 1 204 531 TYR . 53110 1 205 532 TYR . 53110 1 206 533 PHE . 53110 1 207 534 PRO . 53110 1 208 535 PRO . 53110 1 209 536 GLN . 53110 1 210 537 LYS . 53110 1 211 538 THR . 53110 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 53110 1 . PRO 2 2 53110 1 . ALA 3 3 53110 1 . ALA 4 4 53110 1 . GLY 5 5 53110 1 . SER 6 6 53110 1 . SER 7 7 53110 1 . GLY 8 8 53110 1 . THR 9 9 53110 1 . LEU 10 10 53110 1 . GLU 11 11 53110 1 . LEU 12 12 53110 1 . PRO 13 13 53110 1 . SER 14 14 53110 1 . THR 15 15 53110 1 . LEU 16 16 53110 1 . SER 17 17 53110 1 . LEU 18 18 53110 1 . TYR 19 19 53110 1 . LYS 20 20 53110 1 . SER 21 21 53110 1 . GLY 22 22 53110 1 . ALA 23 23 53110 1 . LEU 24 24 53110 1 . ASP 25 25 53110 1 . GLU 26 26 53110 1 . ALA 27 27 53110 1 . ALA 28 28 53110 1 . ALA 29 29 53110 1 . TYR 30 30 53110 1 . GLN 31 31 53110 1 . SER 32 32 53110 1 . ARG 33 33 53110 1 . ASP 34 34 53110 1 . TYR 35 35 53110 1 . TYR 36 36 53110 1 . ASN 37 37 53110 1 . PHE 38 38 53110 1 . PRO 39 39 53110 1 . LEU 40 40 53110 1 . ALA 41 41 53110 1 . LEU 42 42 53110 1 . ALA 43 43 53110 1 . GLY 44 44 53110 1 . PRO 45 45 53110 1 . PRO 46 46 53110 1 . PRO 47 47 53110 1 . PRO 48 48 53110 1 . PRO 49 49 53110 1 . PRO 50 50 53110 1 . PRO 51 51 53110 1 . PRO 52 52 53110 1 . HIS 53 53 53110 1 . PRO 54 54 53110 1 . HIS 55 55 53110 1 . ALA 56 56 53110 1 . ARG 57 57 53110 1 . ILE 58 58 53110 1 . LYS 59 59 53110 1 . LEU 60 60 53110 1 . GLU 61 61 53110 1 . ASN 62 62 53110 1 . PRO 63 63 53110 1 . LEU 64 64 53110 1 . ASP 65 65 53110 1 . TYR 66 66 53110 1 . GLY 67 67 53110 1 . SER 68 68 53110 1 . ALA 69 69 53110 1 . TRP 70 70 53110 1 . ALA 71 71 53110 1 . ALA 72 72 53110 1 . ALA 73 73 53110 1 . ALA 74 74 53110 1 . ALA 75 75 53110 1 . GLN 76 76 53110 1 . SER 77 77 53110 1 . ARG 78 78 53110 1 . TYR 79 79 53110 1 . GLY 80 80 53110 1 . ASP 81 81 53110 1 . LEU 82 82 53110 1 . ALA 83 83 53110 1 . SER 84 84 53110 1 . LEU 85 85 53110 1 . HIS 86 86 53110 1 . GLY 87 87 53110 1 . ALA 88 88 53110 1 . GLY 89 89 53110 1 . ALA 90 90 53110 1 . ALA 91 91 53110 1 . GLY 92 92 53110 1 . PRO 93 93 53110 1 . GLY 94 94 53110 1 . SER 95 95 53110 1 . GLY 96 96 53110 1 . SER 97 97 53110 1 . PRO 98 98 53110 1 . SER 99 99 53110 1 . ALA 100 100 53110 1 . ALA 101 101 53110 1 . ALA 102 102 53110 1 . SER 103 103 53110 1 . SER 104 104 53110 1 . SER 105 105 53110 1 . TRP 106 106 53110 1 . HIS 107 107 53110 1 . THR 108 108 53110 1 . LEU 109 109 53110 1 . PHE 110 110 53110 1 . THR 111 111 53110 1 . ALA 112 112 53110 1 . GLU 113 113 53110 1 . GLU 114 114 53110 1 . GLY 115 115 53110 1 . GLN 116 116 53110 1 . LEU 117 117 53110 1 . TYR 118 118 53110 1 . GLY 119 119 53110 1 . PRO 120 120 53110 1 . SER 121 121 53110 1 . GLY 122 122 53110 1 . GLY 123 123 53110 1 . GLY 124 124 53110 1 . GLY 125 125 53110 1 . GLU 126 126 53110 1 . ALA 127 127 53110 1 . GLY 128 128 53110 1 . ALA 129 129 53110 1 . VAL 130 130 53110 1 . ALA 131 131 53110 1 . PRO 132 132 53110 1 . TYR 133 133 53110 1 . GLY 134 134 53110 1 . TYR 135 135 53110 1 . THR 136 136 53110 1 . ARG 137 137 53110 1 . PRO 138 138 53110 1 . PRO 139 139 53110 1 . GLN 140 140 53110 1 . GLY 141 141 53110 1 . LEU 142 142 53110 1 . ALA 143 143 53110 1 . GLY 144 144 53110 1 . GLN 145 145 53110 1 . GLU 146 146 53110 1 . SER 147 147 53110 1 . ASP 148 148 53110 1 . PHE 149 149 53110 1 . THR 150 150 53110 1 . ALA 151 151 53110 1 . PRO 152 152 53110 1 . ASP 153 153 53110 1 . VAL 154 154 53110 1 . TRP 155 155 53110 1 . TYR 156 156 53110 1 . PRO 157 157 53110 1 . GLY 158 158 53110 1 . GLY 159 159 53110 1 . MET 160 160 53110 1 . VAL 161 161 53110 1 . SER 162 162 53110 1 . ARG 163 163 53110 1 . VAL 164 164 53110 1 . PRO 165 165 53110 1 . TYR 166 166 53110 1 . PRO 167 167 53110 1 . SER 168 168 53110 1 . PRO 169 169 53110 1 . THR 170 170 53110 1 . SER 171 171 53110 1 . VAL 172 172 53110 1 . LYS 173 173 53110 1 . SER 174 174 53110 1 . GLU 175 175 53110 1 . MET 176 176 53110 1 . GLY 177 177 53110 1 . PRO 178 178 53110 1 . TRP 179 179 53110 1 . MET 180 180 53110 1 . ASP 181 181 53110 1 . SER 182 182 53110 1 . TYR 183 183 53110 1 . SER 184 184 53110 1 . GLY 185 185 53110 1 . PRO 186 186 53110 1 . TYR 187 187 53110 1 . GLY 188 188 53110 1 . ASP 189 189 53110 1 . MET 190 190 53110 1 . ARG 191 191 53110 1 . LEU 192 192 53110 1 . GLU 193 193 53110 1 . THR 194 194 53110 1 . ALA 195 195 53110 1 . ARG 196 196 53110 1 . ASP 197 197 53110 1 . HIS 198 198 53110 1 . VAL 199 199 53110 1 . LEU 200 200 53110 1 . PRO 201 201 53110 1 . ILE 202 202 53110 1 . ASP 203 203 53110 1 . TYR 204 204 53110 1 . TYR 205 205 53110 1 . PHE 206 206 53110 1 . PRO 207 207 53110 1 . PRO 208 208 53110 1 . GLN 209 209 53110 1 . LYS 210 210 53110 1 . THR 211 211 53110 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53110 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53110 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53110 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pDEST17 . . . 53110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53110 _Sample.ID 1 _Sample.Name 'AR allTau-5 4G CtoS' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AR allTau-5 4G CtoS' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 53110 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53110 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 53110 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53110 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53110 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 53110 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 53110 1 pH 7.4 . pH 53110 1 pressure 1 . atm 53110 1 temperature 278 . K 53110 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53110 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53110 1 'data analysis' . 53110 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53110 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53110 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53110 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53110 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53110 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53110 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53110 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53110 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53110 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53110 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53110 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53110 1 6 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'AR allTau-5 4G CtoS' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53110 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53110 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53110 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR allTau-5 4G CtoS' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53110 1 2 '3D HNCO' . . . 53110 1 3 '3D HNCA' . . . 53110 1 4 '3D HN(CA)CO' . . . 53110 1 5 '3D HNCACB' . . . 53110 1 6 '3D HN(CO)CACB' . . . 53110 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53110 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 176.7145704 0.0082750228 . 1 . . . . . 329 PRO C . 53110 1 2 . 1 . 1 2 2 PRO CA C 13 62.83980932 . . 1 . . . . . 329 PRO CA . 53110 1 3 . 1 . 1 2 2 PRO CB C 13 32.41579158 . . 1 . . . . . 329 PRO CB . 53110 1 4 . 1 . 1 3 3 ALA H H 1 8.684661387 0.0017187551 . 1 . . . . . 330 ALA H . 53110 1 5 . 1 . 1 3 3 ALA C C 13 177.7323861 0.0131757661 . 1 . . . . . 330 ALA C . 53110 1 6 . 1 . 1 3 3 ALA CA C 13 52.33953652 . . 1 . . . . . 330 ALA CA . 53110 1 7 . 1 . 1 3 3 ALA CB C 13 19.09997605 . . 1 . . . . . 330 ALA CB . 53110 1 8 . 1 . 1 3 3 ALA N N 15 125.1822364 0.014970919 . 1 . . . . . 330 ALA N . 53110 1 9 . 1 . 1 4 4 ALA H H 1 8.577112758 0.0007947627 . 1 . . . . . 331 ALA H . 53110 1 10 . 1 . 1 4 4 ALA C C 13 178.477451 0.0026136098 . 1 . . . . . 331 ALA C . 53110 1 11 . 1 . 1 4 4 ALA CA C 13 52.67564986 0.003492199 . 1 . . . . . 331 ALA CA . 53110 1 12 . 1 . 1 4 4 ALA CB C 13 19.07440404 . . 1 . . . . . 331 ALA CB . 53110 1 13 . 1 . 1 4 4 ALA N N 15 124.2535576 0.0120001624 . 1 . . . . . 331 ALA N . 53110 1 14 . 1 . 1 5 5 GLY H H 1 8.559898289 0.0015932106 . 1 . . . . . 332 GLY H . 53110 1 15 . 1 . 1 5 5 GLY C C 13 174.4003352 0.0065914848 . 1 . . . . . 332 GLY C . 53110 1 16 . 1 . 1 5 5 GLY CA C 13 45.1746355 0.0009124601 . 1 . . . . . 332 GLY CA . 53110 1 17 . 1 . 1 5 5 GLY N N 15 108.9417869 0.0051278826 . 1 . . . . . 332 GLY N . 53110 1 18 . 1 . 1 6 6 SER H H 1 8.345047131 0.003085054 . 1 . . . . . 333 SER H . 53110 1 19 . 1 . 1 6 6 SER C C 13 174.9281634 . . 1 . . . . . 333 SER C . 53110 1 20 . 1 . 1 6 6 SER CA C 13 58.48425421 0.0220755019 . 1 . . . . . 333 SER CA . 53110 1 21 . 1 . 1 6 6 SER CB C 13 63.96306673 . . 1 . . . . . 333 SER CB . 53110 1 22 . 1 . 1 6 6 SER N N 15 115.684761 0.0204393248 . 1 . . . . . 333 SER N . 53110 1 23 . 1 . 1 7 7 SER H H 1 8.628643199 0.0012406349 . 1 . . . . . 334 SER H . 53110 1 24 . 1 . 1 7 7 SER C C 13 175.0979664 . . 1 . . . . . 334 SER C . 53110 1 25 . 1 . 1 7 7 SER CA C 13 58.79283595 0.0654424496 . 1 . . . . . 334 SER CA . 53110 1 26 . 1 . 1 7 7 SER CB C 13 63.9599195 . . 1 . . . . . 334 SER CB . 53110 1 27 . 1 . 1 7 7 SER N N 15 117.9563767 0.0264694738 . 1 . . . . . 334 SER N . 53110 1 28 . 1 . 1 8 8 GLY H H 1 8.541051937 0.0037572204 . 1 . . . . . 335 GLY H . 53110 1 29 . 1 . 1 8 8 GLY C C 13 174.2264787 0.0014216709 . 1 . . . . . 335 GLY C . 53110 1 30 . 1 . 1 8 8 GLY CA C 13 45.32567842 0.0074433101 . 1 . . . . . 335 GLY CA . 53110 1 31 . 1 . 1 8 8 GLY N N 15 110.9971721 0.0133960967 . 1 . . . . . 335 GLY N . 53110 1 32 . 1 . 1 9 9 THR H H 1 8.164066507 0.0053641857 . 1 . . . . . 336 THR H . 53110 1 33 . 1 . 1 9 9 THR C C 13 174.424988 0.0061656103 . 1 . . . . . 336 THR C . 53110 1 34 . 1 . 1 9 9 THR CA C 13 61.82079906 0.0026126729 . 1 . . . . . 336 THR CA . 53110 1 35 . 1 . 1 9 9 THR CB C 13 69.93407812 . . 1 . . . . . 336 THR CB . 53110 1 36 . 1 . 1 9 9 THR N N 15 114.3665253 0.0084030242 . 1 . . . . . 336 THR N . 53110 1 37 . 1 . 1 10 10 LEU H H 1 8.4233042 0.0007256193 . 1 . . . . . 337 LEU H . 53110 1 38 . 1 . 1 10 10 LEU C C 13 177.0771663 0.000250858 . 1 . . . . . 337 LEU C . 53110 1 39 . 1 . 1 10 10 LEU CA C 13 55.15892172 0.0282321822 . 1 . . . . . 337 LEU CA . 53110 1 40 . 1 . 1 10 10 LEU CB C 13 42.36357168 . . 1 . . . . . 337 LEU CB . 53110 1 41 . 1 . 1 10 10 LEU N N 15 125.0392042 0.0158471355 . 1 . . . . . 337 LEU N . 53110 1 42 . 1 . 1 11 11 GLU H H 1 8.46784974 0.0012944544 . 1 . . . . . 338 GLU H . 53110 1 43 . 1 . 1 11 11 GLU C C 13 176.0191891 0.0083739732 . 1 . . . . . 338 GLU C . 53110 1 44 . 1 . 1 11 11 GLU CA C 13 56.11851363 0.0249500687 . 1 . . . . . 338 GLU CA . 53110 1 45 . 1 . 1 11 11 GLU CB C 13 30.29569693 . . 1 . . . . . 338 GLU CB . 53110 1 46 . 1 . 1 11 11 GLU N N 15 122.6249212 0.0153094589 . 1 . . . . . 338 GLU N . 53110 1 47 . 1 . 1 12 12 LEU H H 1 8.486772133 0.0010701989 . 1 . . . . . 339 LEU H . 53110 1 48 . 1 . 1 12 12 LEU C C 13 175.264825 . . 1 . . . . . 339 LEU C . 53110 1 49 . 1 . 1 12 12 LEU CA C 13 52.99088774 . . 1 . . . . . 339 LEU CA . 53110 1 50 . 1 . 1 12 12 LEU CB C 13 41.52817965 . . 1 . . . . . 339 LEU CB . 53110 1 51 . 1 . 1 12 12 LEU N N 15 125.4435902 0.0139212193 . 1 . . . . . 339 LEU N . 53110 1 52 . 1 . 1 13 13 PRO C C 13 177.0957522 . . 1 . . . . . 340 PRO C . 53110 1 53 . 1 . 1 13 13 PRO CA C 13 63.15736034 . . 1 . . . . . 340 PRO CA . 53110 1 54 . 1 . 1 13 13 PRO CB C 13 31.98699565 . . 1 . . . . . 340 PRO CB . 53110 1 55 . 1 . 1 14 14 SER H H 1 8.575909285 0.0021015297 . 1 . . . . . 341 SER H . 53110 1 56 . 1 . 1 14 14 SER C C 13 175.3700238 0.0010816466 . 1 . . . . . 341 SER C . 53110 1 57 . 1 . 1 14 14 SER CA C 13 58.39628298 . . 1 . . . . . 341 SER CA . 53110 1 58 . 1 . 1 14 14 SER CB C 13 63.87052761 . . 1 . . . . . 341 SER CB . 53110 1 59 . 1 . 1 14 14 SER N N 15 116.0959119 0.0195893577 . 1 . . . . . 341 SER N . 53110 1 60 . 1 . 1 15 15 THR H H 1 8.320670983 0.0024055585 . 1 . . . . . 342 THR H . 53110 1 61 . 1 . 1 15 15 THR C C 13 174.8044867 0.0181280677 . 1 . . . . . 342 THR C . 53110 1 62 . 1 . 1 15 15 THR CA C 13 62.41726882 0.0564219285 . 1 . . . . . 342 THR CA . 53110 1 63 . 1 . 1 15 15 THR CB C 13 69.49428259 . . 1 . . . . . 342 THR CB . 53110 1 64 . 1 . 1 15 15 THR N N 15 116.3898962 0.0332552209 . 1 . . . . . 342 THR N . 53110 1 65 . 1 . 1 16 16 LEU H H 1 8.222019266 0.0070633387 . 1 . . . . . 343 LEU H . 53110 1 66 . 1 . 1 16 16 LEU C C 13 177.5983454 0.010972823 . 1 . . . . . 343 LEU C . 53110 1 67 . 1 . 1 16 16 LEU CA C 13 55.65018763 0.053399596 . 1 . . . . . 343 LEU CA . 53110 1 68 . 1 . 1 16 16 LEU CB C 13 42.301 . . 1 . . . . . 343 LEU CB . 53110 1 69 . 1 . 1 16 16 LEU N N 15 123.9266785 0.0206303866 . 1 . . . . . 343 LEU N . 53110 1 70 . 1 . 1 17 17 SER H H 1 8.346422131 0.0013677051 . 1 . . . . . 344 SER H . 53110 1 71 . 1 . 1 17 17 SER C C 13 174.6721566 0.0080603824 . 1 . . . . . 344 SER C . 53110 1 72 . 1 . 1 17 17 SER CA C 13 58.54320542 0.0098929814 . 1 . . . . . 344 SER CA . 53110 1 73 . 1 . 1 17 17 SER CB C 13 63.55796493 . . 1 . . . . . 344 SER CB . 53110 1 74 . 1 . 1 17 17 SER N N 15 116.6191172 0.0140039496 . 1 . . . . . 344 SER N . 53110 1 75 . 1 . 1 18 18 LEU H H 1 8.236221321 0.0039897429 . 1 . . . . . 345 LEU H . 53110 1 76 . 1 . 1 18 18 LEU C C 13 177.1971817 0.0094862005 . 1 . . . . . 345 LEU C . 53110 1 77 . 1 . 1 18 18 LEU CA C 13 55.44502954 0.0576559775 . 1 . . . . . 345 LEU CA . 53110 1 78 . 1 . 1 18 18 LEU CB C 13 42.27471354 . . 1 . . . . . 345 LEU CB . 53110 1 79 . 1 . 1 18 18 LEU N N 15 124.0236217 0.0286438064 . 1 . . . . . 345 LEU N . 53110 1 80 . 1 . 1 19 19 TYR H H 1 8.174452896 0.0018550295 . 1 . . . . . 346 TYR H . 53110 1 81 . 1 . 1 19 19 TYR C C 13 175.7743788 0.0049240864 . 1 . . . . . 346 TYR C . 53110 1 82 . 1 . 1 19 19 TYR CA C 13 58.1104665 0.0354186017 . 1 . . . . . 346 TYR CA . 53110 1 83 . 1 . 1 19 19 TYR CB C 13 38.61242671 . . 1 . . . . . 346 TYR CB . 53110 1 84 . 1 . 1 19 19 TYR N N 15 120.4866629 0.0176880912 . 1 . . . . . 346 TYR N . 53110 1 85 . 1 . 1 20 20 LYS H H 1 8.231832684 0.002252211 . 1 . . . . . 347 LYS H . 53110 1 86 . 1 . 1 20 20 LYS C C 13 176.1673334 0.0133170082 . 1 . . . . . 347 LYS C . 53110 1 87 . 1 . 1 20 20 LYS CA C 13 56.02751174 0.010450551 . 1 . . . . . 347 LYS CA . 53110 1 88 . 1 . 1 20 20 LYS N N 15 124.0161878 0.0188199085 . 1 . . . . . 347 LYS N . 53110 1 89 . 1 . 1 21 21 SER H H 1 8.446597674 0.0031163796 . 1 . . . . . 348 SER H . 53110 1 90 . 1 . 1 21 21 SER C C 13 175.2156316 . . 1 . . . . . 348 SER C . 53110 1 91 . 1 . 1 21 21 SER CA C 13 58.67735042 0.0680825339 . 1 . . . . . 348 SER CA . 53110 1 92 . 1 . 1 21 21 SER CB C 13 63.78786938 . . 1 . . . . . 348 SER CB . 53110 1 93 . 1 . 1 21 21 SER N N 15 117.456779 0.0299687024 . 1 . . . . . 348 SER N . 53110 1 94 . 1 . 1 22 22 GLY H H 1 8.565221499 0.002522784 . 1 . . . . . 349 GLY H . 53110 1 95 . 1 . 1 22 22 GLY C C 13 173.9860902 0.0104358354 . 1 . . . . . 349 GLY C . 53110 1 96 . 1 . 1 22 22 GLY CA C 13 45.31163843 . . 1 . . . . . 349 GLY CA . 53110 1 97 . 1 . 1 22 22 GLY N N 15 111.4859095 0.017628638 . 1 . . . . . 349 GLY N . 53110 1 98 . 1 . 1 23 23 ALA H H 1 8.200175073 0.0021685035 . 1 . . . . . 350 ALA H . 53110 1 99 . 1 . 1 23 23 ALA C C 13 178.0701202 0.009392736551 . 1 . . . . . 350 ALA C . 53110 1 100 . 1 . 1 23 23 ALA CA C 13 52.65084893 0.0215658974 . 1 . . . . . 350 ALA CA . 53110 1 101 . 1 . 1 23 23 ALA CB C 13 19.4674114 . . 1 . . . . . 350 ALA CB . 53110 1 102 . 1 . 1 23 23 ALA N N 15 123.7368969 0.0131053426 . 1 . . . . . 350 ALA N . 53110 1 103 . 1 . 1 24 24 LEU H H 1 8.38622749 0.0005523035 . 1 . . . . . 351 LEU H . 53110 1 104 . 1 . 1 24 24 LEU C C 13 177.3871844 0.0106472455 . 1 . . . . . 351 LEU C . 53110 1 105 . 1 . 1 24 24 LEU CA C 13 55.40269963 0.0242382033 . 1 . . . . . 351 LEU CA . 53110 1 106 . 1 . 1 24 24 LEU CB C 13 42.20765716 . . 1 . . . . . 351 LEU CB . 53110 1 107 . 1 . 1 24 24 LEU N N 15 121.1257281 0.0120561869 . 1 . . . . . 351 LEU N . 53110 1 108 . 1 . 1 25 25 ASP H H 1 8.312426627 0.0015365687 . 1 . . . . . 352 ASP H . 53110 1 109 . 1 . 1 25 25 ASP C C 13 176.6722354 0.0101873978 . 1 . . . . . 352 ASP C . 53110 1 110 . 1 . 1 25 25 ASP CA C 13 54.24778021 0.0124714859 . 1 . . . . . 352 ASP CA . 53110 1 111 . 1 . 1 25 25 ASP CB C 13 40.88806083 0.0376556421 . 1 . . . . . 352 ASP CB . 53110 1 112 . 1 . 1 25 25 ASP N N 15 121.0683494 0.0168137515 . 1 . . . . . 352 ASP N . 53110 1 113 . 1 . 1 26 26 GLU H H 1 8.456144386 0.0014761138 . 1 . . . . . 353 GLU H . 53110 1 114 . 1 . 1 26 26 GLU C C 13 176.9675288 0.0048506047 . 1 . . . . . 353 GLU C . 53110 1 115 . 1 . 1 26 26 GLU CA C 13 57.578222 0.0167181186 . 1 . . . . . 353 GLU CA . 53110 1 116 . 1 . 1 26 26 GLU CB C 13 30.06567832 0.0332346467 . 1 . . . . . 353 GLU CB . 53110 1 117 . 1 . 1 26 26 GLU N N 15 122.2667563 0.012035537 . 1 . . . . . 353 GLU N . 53110 1 118 . 1 . 1 27 27 ALA H H 1 8.324993666 0.0016159314 . 1 . . . . . 354 ALA H . 53110 1 119 . 1 . 1 27 27 ALA C C 13 178.3976412 0.0005780179 . 1 . . . . . 354 ALA C . 53110 1 120 . 1 . 1 27 27 ALA CA C 13 53.24310397 . . 1 . . . . . 354 ALA CA . 53110 1 121 . 1 . 1 27 27 ALA CB C 13 18.79036185 . . 1 . . . . . 354 ALA CB . 53110 1 122 . 1 . 1 27 27 ALA N N 15 123.6062012 0.0242669041 . 1 . . . . . 354 ALA N . 53110 1 123 . 1 . 1 28 28 ALA H H 1 8.088502948 0.0002940218527 . 1 . . . . . 355 ALA H . 53110 1 124 . 1 . 1 28 28 ALA C C 13 178.2482969 0.0054998129 . 1 . . . . . 355 ALA C . 53110 1 125 . 1 . 1 28 28 ALA CA C 13 53.07179563 . . 1 . . . . . 355 ALA CA . 53110 1 126 . 1 . 1 28 28 ALA CB C 13 18.86246896 . . 1 . . . . . 355 ALA CB . 53110 1 127 . 1 . 1 28 28 ALA N N 15 122.1527082 0.01255158611 . 1 . . . . . 355 ALA N . 53110 1 128 . 1 . 1 29 29 ALA H H 1 8.124630975 0.0020160322 . 1 . . . . . 356 ALA H . 53110 1 129 . 1 . 1 29 29 ALA C C 13 178.0719331 0.0046453663 . 1 . . . . . 356 ALA C . 53110 1 130 . 1 . 1 29 29 ALA CA C 13 53.00957185 0.0092049911 . 1 . . . . . 356 ALA CA . 53110 1 131 . 1 . 1 29 29 ALA CB C 13 18.9005887 0.0452619846 . 1 . . . . . 356 ALA CB . 53110 1 132 . 1 . 1 29 29 ALA N N 15 122.1343272 0.0180247054 . 1 . . . . . 356 ALA N . 53110 1 133 . 1 . 1 30 30 TYR H H 1 8.045320747 0.0015544131 . 1 . . . . . 357 TYR H . 53110 1 134 . 1 . 1 30 30 TYR C C 13 176.0815001 0.0077631135 . 1 . . . . . 357 TYR C . 53110 1 135 . 1 . 1 30 30 TYR CA C 13 58.47419962 0.0356883349 . 1 . . . . . 357 TYR CA . 53110 1 136 . 1 . 1 30 30 TYR CB C 13 38.38651614 0.0152721993 . 1 . . . . . 357 TYR CB . 53110 1 137 . 1 . 1 30 30 TYR N N 15 118.7415131 0.0201489159 . 1 . . . . . 357 TYR N . 53110 1 138 . 1 . 1 31 31 GLN H H 1 8.104263873 0.0014282417 . 1 . . . . . 358 GLN H . 53110 1 139 . 1 . 1 31 31 GLN C C 13 175.770257 0.0051381855 . 1 . . . . . 358 GLN C . 53110 1 140 . 1 . 1 31 31 GLN CA C 13 55.81080789 . . 1 . . . . . 358 GLN CA . 53110 1 141 . 1 . 1 31 31 GLN CB C 13 29.46936554 . . 1 . . . . . 358 GLN CB . 53110 1 142 . 1 . 1 31 31 GLN N N 15 121.3861782 0.0240740638 . 1 . . . . . 358 GLN N . 53110 1 143 . 1 . 1 32 32 SER H H 1 8.301535667 0.0034810305 . 1 . . . . . 359 SER H . 53110 1 144 . 1 . 1 32 32 SER C C 13 174.8324991 0.015851253 . 1 . . . . . 359 SER C . 53110 1 145 . 1 . 1 32 32 SER CA C 13 58.65543495 0.064434105 . 1 . . . . . 359 SER CA . 53110 1 146 . 1 . 1 32 32 SER CB C 13 63.52421297 . . 1 . . . . . 359 SER CB . 53110 1 147 . 1 . 1 32 32 SER N N 15 116.64695 0.0213543381 . 1 . . . . . 359 SER N . 53110 1 148 . 1 . 1 33 33 ARG H H 1 8.349206528 0.0025259629 . 1 . . . . . 360 ARG H . 53110 1 149 . 1 . 1 33 33 ARG C C 13 175.9180305 0.0080928227 . 1 . . . . . 360 ARG C . 53110 1 150 . 1 . 1 33 33 ARG CA C 13 56.52124996 0.0427100417 . 1 . . . . . 360 ARG CA . 53110 1 151 . 1 . 1 33 33 ARG N N 15 122.6767727 0.0437356476 . 1 . . . . . 360 ARG N . 53110 1 152 . 1 . 1 34 34 ASP H H 1 8.330198606 0.0023817755 . 1 . . . . . 361 ASP H . 53110 1 153 . 1 . 1 34 34 ASP C C 13 176.096843 . . 1 . . . . . 361 ASP C . 53110 1 154 . 1 . 1 34 34 ASP CA C 13 54.34025121 0.0116184764 . 1 . . . . . 361 ASP CA . 53110 1 155 . 1 . 1 34 34 ASP N N 15 120.5756836 0.0329743657 . 1 . . . . . 361 ASP N . 53110 1 156 . 1 . 1 35 35 TYR H H 1 8.007061426 0.0018895003 . 1 . . . . . 362 TYR H . 53110 1 157 . 1 . 1 35 35 TYR C C 13 175.6302765 0.0092709358 . 1 . . . . . 362 TYR C . 53110 1 158 . 1 . 1 35 35 TYR CA C 13 58.7755958 . . 1 . . . . . 362 TYR CA . 53110 1 159 . 1 . 1 35 35 TYR CB C 13 38.73283968 . . 1 . . . . . 362 TYR CB . 53110 1 160 . 1 . 1 35 35 TYR N N 15 120.2218671 0.0283535165 . 1 . . . . . 362 TYR N . 53110 1 161 . 1 . 1 36 36 TYR H H 1 8.001706108 0.0017067851 . 1 . . . . . 363 TYR H . 53110 1 162 . 1 . 1 36 36 TYR C C 13 175.3192371 0.0061304719 . 1 . . . . . 363 TYR C . 53110 1 163 . 1 . 1 36 36 TYR CA C 13 58.45053581 . . 1 . . . . . 363 TYR CA . 53110 1 164 . 1 . 1 36 36 TYR N N 15 119.8942801 0.0198596091 . 1 . . . . . 363 TYR N . 53110 1 165 . 1 . 1 37 37 ASN H H 1 8.023176315 0.0031300683 . 1 . . . . . 364 ASN H . 53110 1 166 . 1 . 1 37 37 ASN C C 13 174.1289735 0.0060540171 . 1 . . . . . 364 ASN C . 53110 1 167 . 1 . 1 37 37 ASN CA C 13 53.08388 0.0623617927 . 1 . . . . . 364 ASN CA . 53110 1 168 . 1 . 1 37 37 ASN CB C 13 38.92457365 . . 1 . . . . . 364 ASN CB . 53110 1 169 . 1 . 1 37 37 ASN N N 15 119.2894625 0.058227967 . 1 . . . . . 364 ASN N . 53110 1 170 . 1 . 1 38 38 PHE H H 1 8.049659167 0.0048145532 . 1 . . . . . 365 PHE H . 53110 1 171 . 1 . 1 38 38 PHE C C 13 173.6143402 . . 1 . . . . . 365 PHE C . 53110 1 172 . 1 . 1 38 38 PHE CA C 13 55.98653119 . . 1 . . . . . 365 PHE CA . 53110 1 173 . 1 . 1 38 38 PHE CB C 13 38.85551134 . . 1 . . . . . 365 PHE CB . 53110 1 174 . 1 . 1 38 38 PHE N N 15 121.2696248 0.0073069212 . 1 . . . . . 365 PHE N . 53110 1 175 . 1 . 1 39 39 PRO C C 13 176.983438 0.0029097496 . 1 . . . . . 366 PRO C . 53110 1 176 . 1 . 1 39 39 PRO CA C 13 63.28214015 . . 1 . . . . . 366 PRO CA . 53110 1 177 . 1 . 1 40 40 LEU H H 1 8.339033909 0.0034312503 . 1 . . . . . 367 LEU H . 53110 1 178 . 1 . 1 40 40 LEU C C 13 177.3475724 0.0152883867 . 1 . . . . . 367 LEU C . 53110 1 179 . 1 . 1 40 40 LEU CA C 13 55.1932438 0.0126180266 . 1 . . . . . 367 LEU CA . 53110 1 180 . 1 . 1 40 40 LEU CB C 13 42.39739656 . . 1 . . . . . 367 LEU CB . 53110 1 181 . 1 . 1 40 40 LEU N N 15 122.2439779 0.0053990477 . 1 . . . . . 367 LEU N . 53110 1 182 . 1 . 1 41 41 ALA H H 1 8.35467355 0.0016333983 . 1 . . . . . 368 ALA H . 53110 1 183 . 1 . 1 41 41 ALA C C 13 177.6055185 0.0113019159 . 1 . . . . . 368 ALA C . 53110 1 184 . 1 . 1 41 41 ALA CA C 13 52.39570006 . . 1 . . . . . 368 ALA CA . 53110 1 185 . 1 . 1 41 41 ALA N N 15 124.8655624 0.0614938391 . 1 . . . . . 368 ALA N . 53110 1 186 . 1 . 1 42 42 LEU H H 1 8.248554809 0.0019502696 . 1 . . . . . 369 LEU H . 53110 1 187 . 1 . 1 42 42 LEU C C 13 177.1155154 0.0095944461 . 1 . . . . . 369 LEU C . 53110 1 188 . 1 . 1 42 42 LEU CA C 13 54.97679858 0.0562369395 . 1 . . . . . 369 LEU CA . 53110 1 189 . 1 . 1 42 42 LEU CB C 13 42.34804902 . . 1 . . . . . 369 LEU CB . 53110 1 190 . 1 . 1 42 42 LEU N N 15 121.5431644 0.0114116554 . 1 . . . . . 369 LEU N . 53110 1 191 . 1 . 1 43 43 ALA H H 1 8.353095138 0.0020443459 . 1 . . . . . 370 ALA H . 53110 1 192 . 1 . 1 43 43 ALA C C 13 177.6974585 0.0154437472 . 1 . . . . . 370 ALA C . 53110 1 193 . 1 . 1 43 43 ALA CA C 13 52.38966499 0.0383337608 . 1 . . . . . 370 ALA CA . 53110 1 194 . 1 . 1 43 43 ALA CB C 13 19.34610179 0.0144951707 . 1 . . . . . 370 ALA CB . 53110 1 195 . 1 . 1 43 43 ALA N N 15 124.8884649 0.0546186268 . 1 . . . . . 370 ALA N . 53110 1 196 . 1 . 1 44 44 GLY H H 1 8.197572843 0.0015161858 . 1 . . . . . 371 GLY H . 53110 1 197 . 1 . 1 44 44 GLY C C 13 177.9463804 . . 1 . . . . . 371 GLY C . 53110 1 198 . 1 . 1 44 44 GLY CA C 13 44.32198353 . . 1 . . . . . 371 GLY CA . 53110 1 199 . 1 . 1 44 44 GLY N N 15 108.466798 0.0126955838 . 1 . . . . . 371 GLY N . 53110 1 200 . 1 . 1 52 52 PRO C C 13 176.3302461 . . 1 . . . . . 379 PRO C . 53110 1 201 . 1 . 1 53 53 HIS H H 1 8.417660221 0.0036752895 . 1 . . . . . 380 HIS H . 53110 1 202 . 1 . 1 53 53 HIS C C 13 174.2043447 . . 1 . . . . . 380 HIS C . 53110 1 203 . 1 . 1 53 53 HIS CA C 13 54.51037407 . . 1 . . . . . 380 HIS CA . 53110 1 204 . 1 . 1 53 53 HIS N N 15 121.2859832 0.0167321565 . 1 . . . . . 380 HIS N . 53110 1 205 . 1 . 1 54 54 PRO C C 13 176.9111881 . . 1 . . . . . 381 PRO C . 53110 1 206 . 1 . 1 55 55 HIS H H 1 8.872131391 0.002056841 . 1 . . . . . 382 HIS H . 53110 1 207 . 1 . 1 55 55 HIS C C 13 175.37512 . . 1 . . . . . 382 HIS C . 53110 1 208 . 1 . 1 55 55 HIS CA C 13 55.93401478 0.0594195317 . 1 . . . . . 382 HIS CA . 53110 1 209 . 1 . 1 55 55 HIS N N 15 119.7076022 0.0046151444 . 1 . . . . . 382 HIS N . 53110 1 210 . 1 . 1 56 56 ALA H H 1 8.27453452 0.0018495671 . 1 . . . . . 383 ALA H . 53110 1 211 . 1 . 1 56 56 ALA C C 13 177.5861544 . . 1 . . . . . 383 ALA C . 53110 1 212 . 1 . 1 56 56 ALA CA C 13 52.4603806 . . 1 . . . . . 383 ALA CA . 53110 1 213 . 1 . 1 56 56 ALA N N 15 124.8261841 0.0418619958 . 1 . . . . . 383 ALA N . 53110 1 214 . 1 . 1 57 57 ARG H H 1 8.501758145 0.0030870206 . 1 . . . . . 384 ARG H . 53110 1 215 . 1 . 1 57 57 ARG C C 13 176.2799412 0.0163798057 . 1 . . . . . 384 ARG C . 53110 1 216 . 1 . 1 57 57 ARG CA C 13 56.25647741 0.0572828311 . 1 . . . . . 384 ARG CA . 53110 1 217 . 1 . 1 57 57 ARG CB C 13 31.05762121 . . 1 . . . . . 384 ARG CB . 53110 1 218 . 1 . 1 57 57 ARG N N 15 120.7512413 0.0132534693 . 1 . . . . . 384 ARG N . 53110 1 219 . 1 . 1 58 58 ILE H H 1 8.25108297 0.0061031159 . 1 . . . . . 385 ILE H . 53110 1 220 . 1 . 1 58 58 ILE C C 13 175.852605 0.0456868917 . 1 . . . . . 385 ILE C . 53110 1 221 . 1 . 1 58 58 ILE CA C 13 61.27129399 0.0167288562 . 1 . . . . . 385 ILE CA . 53110 1 222 . 1 . 1 58 58 ILE N N 15 122.5088985 0.0725006527 . 1 . . . . . 385 ILE N . 53110 1 223 . 1 . 1 59 59 LYS H H 1 8.479357487 0.0032950141 . 1 . . . . . 386 LYS H . 53110 1 224 . 1 . 1 59 59 LYS C C 13 176.0337201 0.0074030854 . 1 . . . . . 386 LYS C . 53110 1 225 . 1 . 1 59 59 LYS CA C 13 56.14646136 0.0155477621 . 1 . . . . . 386 LYS CA . 53110 1 226 . 1 . 1 59 59 LYS N N 15 126.2200961 0.0271396775 . 1 . . . . . 386 LYS N . 53110 1 227 . 1 . 1 60 60 LEU H H 1 8.417704104 0.0001702913 . 1 . . . . . 387 LEU H . 53110 1 228 . 1 . 1 60 60 LEU C C 13 177.1290233 . . 1 . . . . . 387 LEU C . 53110 1 229 . 1 . 1 60 60 LEU CA C 13 54.82793742 0.046554591 . 1 . . . . . 387 LEU CA . 53110 1 230 . 1 . 1 60 60 LEU N N 15 125.0971914 0.0011622274 . 1 . . . . . 387 LEU N . 53110 1 231 . 1 . 1 61 61 GLU H H 1 8.55086916 0.0026247838 . 1 . . . . . 388 GLU H . 53110 1 232 . 1 . 1 61 61 GLU C C 13 175.8053789 0.0047467163 . 1 . . . . . 388 GLU C . 53110 1 233 . 1 . 1 61 61 GLU CA C 13 56.49130372 . . 1 . . . . . 388 GLU CA . 53110 1 234 . 1 . 1 61 61 GLU CB C 13 30.3570981 . . 1 . . . . . 388 GLU CB . 53110 1 235 . 1 . 1 61 61 GLU N N 15 122.0827744 0.0300758934 . 1 . . . . . 388 GLU N . 53110 1 236 . 1 . 1 62 62 ASN H H 1 8.604550464 0.0027971449 . 1 . . . . . 389 ASN H . 53110 1 237 . 1 . 1 62 62 ASN C C 13 173.5214167 . . 1 . . . . . 389 ASN C . 53110 1 238 . 1 . 1 62 62 ASN CA C 13 50.83814754 . . 1 . . . . . 389 ASN CA . 53110 1 239 . 1 . 1 62 62 ASN N N 15 120.3914585 0.0118811795 . 1 . . . . . 389 ASN N . 53110 1 240 . 1 . 1 63 63 PRO C C 13 177.231004 . . 1 . . . . . 390 PRO C . 53110 1 241 . 1 . 1 63 63 PRO CA C 13 63.73011554 . . 1 . . . . . 390 PRO CA . 53110 1 242 . 1 . 1 64 64 LEU H H 1 8.207622448 0.0030724992 . 1 . . . . . 391 LEU H . 53110 1 243 . 1 . 1 64 64 LEU C C 13 177.2536467 . . 1 . . . . . 391 LEU C . 53110 1 244 . 1 . 1 64 64 LEU CA C 13 55.39036646 0.0120168398 . 1 . . . . . 391 LEU CA . 53110 1 245 . 1 . 1 64 64 LEU N N 15 119.793124 0.0293268527 . 1 . . . . . 391 LEU N . 53110 1 246 . 1 . 1 65 65 ASP H H 1 8.026289949 0.0004866815 . 1 . . . . . 392 ASP H . 53110 1 247 . 1 . 1 65 65 ASP C C 13 176.2215499 . . 1 . . . . . 392 ASP C . 53110 1 248 . 1 . 1 65 65 ASP CA C 13 54.06319867 . . 1 . . . . . 392 ASP CA . 53110 1 249 . 1 . 1 65 65 ASP CB C 13 41.07495951 . . 1 . . . . . 392 ASP CB . 53110 1 250 . 1 . 1 65 65 ASP N N 15 119.8832409 0.0351225327 . 1 . . . . . 392 ASP N . 53110 1 251 . 1 . 1 66 66 TYR H H 1 8.088206706 0.0029293941 . 1 . . . . . 393 TYR H . 53110 1 252 . 1 . 1 66 66 TYR C C 13 176.7939709 . . 1 . . . . . 393 TYR C . 53110 1 253 . 1 . 1 66 66 TYR CA C 13 58.90597226 0.0030092467 . 1 . . . . . 393 TYR CA . 53110 1 254 . 1 . 1 66 66 TYR CB C 13 38.43374411 . . 1 . . . . . 393 TYR CB . 53110 1 255 . 1 . 1 66 66 TYR N N 15 121.1519737 0.0028595803 . 1 . . . . . 393 TYR N . 53110 1 256 . 1 . 1 67 67 GLY H H 1 8.454338592 0.0024483776 . 1 . . . . . 394 GLY H . 53110 1 257 . 1 . 1 67 67 GLY C C 13 174.9491629 . . 1 . . . . . 394 GLY C . 53110 1 258 . 1 . 1 67 67 GLY CA C 13 45.76800524 0.0023951595 . 1 . . . . . 394 GLY CA . 53110 1 259 . 1 . 1 67 67 GLY N N 15 109.491147 0.008737122 . 1 . . . . . 394 GLY N . 53110 1 260 . 1 . 1 68 68 SER H H 1 8.218114999 0.0021378148 . 1 . . . . . 395 SER H . 53110 1 261 . 1 . 1 68 68 SER C C 13 175.5559419 . . 1 . . . . . 395 SER C . 53110 1 262 . 1 . 1 68 68 SER CA C 13 59.50601557 . . 1 . . . . . 395 SER CA . 53110 1 263 . 1 . 1 68 68 SER N N 15 116.1204483 0.0190701892 . 1 . . . . . 395 SER N . 53110 1 264 . 1 . 1 69 69 ALA H H 1 8.531110875 0.005375434824 . 1 . . . . . 396 ALA H . 53110 1 265 . 1 . 1 69 69 ALA C C 13 179.1837941 0.0152628718 . 1 . . . . . 396 ALA C . 53110 1 266 . 1 . 1 69 69 ALA CA C 13 54.04112069 0.0019874897 . 1 . . . . . 396 ALA CA . 53110 1 267 . 1 . 1 69 69 ALA N N 15 125.9072004 0.03677578842 . 1 . . . . . 396 ALA N . 53110 1 268 . 1 . 1 70 70 TRP H H 1 8.192917561 0.0036140466 . 1 . . . . . 397 TRP H . 53110 1 269 . 1 . 1 70 70 TRP C C 13 177.2856638 0 . 1 . . . . . 397 TRP C . 53110 1 270 . 1 . 1 70 70 TRP CA C 13 59.00861634 0.0386174929 . 1 . . . . . 397 TRP CA . 53110 1 271 . 1 . 1 70 70 TRP N N 15 119.9684809 0.0143943879 . 1 . . . . . 397 TRP N . 53110 1 272 . 1 . 1 71 71 ALA H H 1 7.952484681 0.0014812554 . 1 . . . . . 398 ALA H . 53110 1 273 . 1 . 1 71 71 ALA C C 13 178.9315167 . . 1 . . . . . 398 ALA C . 53110 1 274 . 1 . 1 71 71 ALA CA C 13 53.77468123 . . 1 . . . . . 398 ALA CA . 53110 1 275 . 1 . 1 71 71 ALA N N 15 123.7145263 0.0287022436 . 1 . . . . . 398 ALA N . 53110 1 276 . 1 . 1 72 72 ALA H H 1 8.003691401 0.0028855982 . 1 . . . . . 399 ALA H . 53110 1 277 . 1 . 1 72 72 ALA C C 13 178.9964704 . . 1 . . . . . 399 ALA C . 53110 1 278 . 1 . 1 72 72 ALA CA C 13 53.73797488 . . 1 . . . . . 399 ALA CA . 53110 1 279 . 1 . 1 72 72 ALA CB C 13 18.38924747 . . 1 . . . . . 399 ALA CB . 53110 1 280 . 1 . 1 72 72 ALA N N 15 121.8861374 0.0113592805 . 1 . . . . . 399 ALA N . 53110 1 281 . 1 . 1 73 73 ALA H H 1 7.966892498 0.000425964 . 1 . . . . . 400 ALA H . 53110 1 282 . 1 . 1 73 73 ALA C C 13 179.1050134 . . 1 . . . . . 400 ALA C . 53110 1 283 . 1 . 1 73 73 ALA CA C 13 53.71911042 . . 1 . . . . . 400 ALA CA . 53110 1 284 . 1 . 1 73 73 ALA N N 15 121.8474883 0.0128885276 . 1 . . . . . 400 ALA N . 53110 1 285 . 1 . 1 74 74 ALA H H 1 8.117053113 0.0008364406 . 1 . . . . . 401 ALA H . 53110 1 286 . 1 . 1 74 74 ALA C C 13 178.836796 . . 1 . . . . . 401 ALA C . 53110 1 287 . 1 . 1 74 74 ALA CA C 13 53.57786766 . . 1 . . . . . 401 ALA CA . 53110 1 288 . 1 . 1 74 74 ALA N N 15 122.1176693 0.0009410161 . 1 . . . . . 401 ALA N . 53110 1 289 . 1 . 1 75 75 ALA H H 1 7.969208038 0.0034254655 . 1 . . . . . 402 ALA H . 53110 1 290 . 1 . 1 75 75 ALA C C 13 178.5979075 0.0021648147 . 1 . . . . . 402 ALA C . 53110 1 291 . 1 . 1 75 75 ALA CA C 13 53.5815637 0.0171550745 . 1 . . . . . 402 ALA CA . 53110 1 292 . 1 . 1 75 75 ALA CB C 13 18.49091404 . . 1 . . . . . 402 ALA CB . 53110 1 293 . 1 . 1 75 75 ALA N N 15 121.4600098 0.0165665907 . 1 . . . . . 402 ALA N . 53110 1 294 . 1 . 1 76 76 GLN H H 1 8.049038778 0.0034044851 . 1 . . . . . 403 GLN H . 53110 1 295 . 1 . 1 76 76 GLN C C 13 176.8233053 0.0064326935 . 1 . . . . . 403 GLN C . 53110 1 296 . 1 . 1 76 76 GLN CA C 13 56.58237411 0.0051408986 . 1 . . . . . 403 GLN CA . 53110 1 297 . 1 . 1 76 76 GLN CB C 13 29.44040948 . . 1 . . . . . 403 GLN CB . 53110 1 298 . 1 . 1 76 76 GLN N N 15 117.8649904 0.018281493 . 1 . . . . . 403 GLN N . 53110 1 299 . 1 . 1 77 77 SER H H 1 8.160950774 0.0034186937 . 1 . . . . . 404 SER H . 53110 1 300 . 1 . 1 77 77 SER C C 13 174.8564522 . . 1 . . . . . 404 SER C . 53110 1 301 . 1 . 1 77 77 SER CA C 13 59.03523878 0.0007940334 . 1 . . . . . 404 SER CA . 53110 1 302 . 1 . 1 77 77 SER N N 15 115.8839791 0.0118914666 . 1 . . . . . 404 SER N . 53110 1 303 . 1 . 1 78 78 ARG H H 1 8.190100076 0.002300487 . 1 . . . . . 405 ARG H . 53110 1 304 . 1 . 1 78 78 ARG C C 13 176.4019114 . . 1 . . . . . 405 ARG C . 53110 1 305 . 1 . 1 78 78 ARG CA C 13 56.607685 . . 1 . . . . . 405 ARG CA . 53110 1 306 . 1 . 1 78 78 ARG N N 15 122.1083068 0.0100045859 . 1 . . . . . 405 ARG N . 53110 1 307 . 1 . 1 79 79 TYR H H 1 8.202662964 0.0021646758 . 1 . . . . . 406 TYR H . 53110 1 308 . 1 . 1 79 79 TYR C C 13 176.6377102 0.012168617 . 1 . . . . . 406 TYR C . 53110 1 309 . 1 . 1 79 79 TYR CA C 13 58.45130673 0.0298503195 . 1 . . . . . 406 TYR CA . 53110 1 310 . 1 . 1 79 79 TYR N N 15 119.6138118 0.0055598223 . 1 . . . . . 406 TYR N . 53110 1 311 . 1 . 1 80 80 GLY H H 1 8.254231473 0.0030162008 . 1 . . . . . 407 GLY H . 53110 1 312 . 1 . 1 80 80 GLY C C 13 174.0254193 . . 1 . . . . . 407 GLY C . 53110 1 313 . 1 . 1 80 80 GLY CA C 13 45.44785229 0.0285667014 . 1 . . . . . 407 GLY CA . 53110 1 314 . 1 . 1 80 80 GLY N N 15 109.831175 0.0288062073 . 1 . . . . . 407 GLY N . 53110 1 315 . 1 . 1 81 81 ASP H H 1 8.256379723 0.0024365248 . 1 . . . . . 408 ASP H . 53110 1 316 . 1 . 1 81 81 ASP C C 13 176.9041591 0.008436864706 . 1 . . . . . 408 ASP C . 53110 1 317 . 1 . 1 81 81 ASP CA C 13 54.5056994 0.0420819172 . 1 . . . . . 408 ASP CA . 53110 1 318 . 1 . 1 81 81 ASP CB C 13 41.03296059 . . 1 . . . . . 408 ASP CB . 53110 1 319 . 1 . 1 81 81 ASP N N 15 120.6344574 0.0269522454 . 1 . . . . . 408 ASP N . 53110 1 320 . 1 . 1 82 82 LEU H H 1 8.305066195 0.003955346786 . 1 . . . . . 409 LEU H . 53110 1 321 . 1 . 1 82 82 LEU C C 13 177.9220483 0.02394925837 . 1 . . . . . 409 LEU C . 53110 1 322 . 1 . 1 82 82 LEU CA C 13 56.03735633 0.0304804649 . 1 . . . . . 409 LEU CA . 53110 1 323 . 1 . 1 82 82 LEU CB C 13 42.34928561 . . 1 . . . . . 409 LEU CB . 53110 1 324 . 1 . 1 82 82 LEU N N 15 122.6153734 0.001894170056 . 1 . . . . . 409 LEU N . 53110 1 325 . 1 . 1 83 83 ALA H H 1 8.300956901 0.00249772772 . 1 . . . . . 410 ALA H . 53110 1 326 . 1 . 1 83 83 ALA C C 13 178.6416286 0.0007003607 . 1 . . . . . 410 ALA C . 53110 1 327 . 1 . 1 83 83 ALA CA C 13 53.51279592 0.0451832287 . 1 . . . . . 410 ALA CA . 53110 1 328 . 1 . 1 83 83 ALA N N 15 123.1040318 0.0021911676 . 1 . . . . . 410 ALA N . 53110 1 329 . 1 . 1 84 84 SER H H 1 8.103378745 0.0021481974 . 1 . . . . . 411 SER H . 53110 1 330 . 1 . 1 84 84 SER C C 13 175.0604986 . . 1 . . . . . 411 SER C . 53110 1 331 . 1 . 1 84 84 SER CA C 13 58.91637736 0.0005021274 . 1 . . . . . 411 SER CA . 53110 1 332 . 1 . 1 84 84 SER CB C 13 63.51472933 0.0541735158 . 1 . . . . . 411 SER CB . 53110 1 333 . 1 . 1 84 84 SER N N 15 113.7891568 0.029340318 . 1 . . . . . 411 SER N . 53110 1 334 . 1 . 1 85 85 LEU H H 1 8.053143336 0.0020915765 . 1 . . . . . 412 LEU H . 53110 1 335 . 1 . 1 85 85 LEU C C 13 177.52112 0.0133375105 . 1 . . . . . 412 LEU C . 53110 1 336 . 1 . 1 85 85 LEU CA C 13 55.72398193 0.0280936032 . 1 . . . . . 412 LEU CA . 53110 1 337 . 1 . 1 85 85 LEU CB C 13 42.04457416 . . 1 . . . . . 412 LEU CB . 53110 1 338 . 1 . 1 85 85 LEU N N 15 123.2576465 0.0379672061 . 1 . . . . . 412 LEU N . 53110 1 339 . 1 . 1 86 86 HIS H H 1 8.210222001 0.0016726964 . 1 . . . . . 413 HIS H . 53110 1 340 . 1 . 1 86 86 HIS C C 13 176.0043489 0.0153851528 . 1 . . . . . 413 HIS C . 53110 1 341 . 1 . 1 86 86 HIS CA C 13 56.26278506 0.0532954989 . 1 . . . . . 413 HIS CA . 53110 1 342 . 1 . 1 86 86 HIS CB C 13 30.54312322 . . 1 . . . . . 413 HIS CB . 53110 1 343 . 1 . 1 86 86 HIS N N 15 118.6049599 0.0140969201 . 1 . . . . . 413 HIS N . 53110 1 344 . 1 . 1 87 87 GLY H H 1 8.319807985 0.0027561705 . 1 . . . . . 414 GLY H . 53110 1 345 . 1 . 1 87 87 GLY C C 13 174.0885124 0.0088908008 . 1 . . . . . 414 GLY C . 53110 1 346 . 1 . 1 87 87 GLY CA C 13 45.33530543 0.0121825823 . 1 . . . . . 414 GLY CA . 53110 1 347 . 1 . 1 87 87 GLY N N 15 109.7552594 0.0413373364 . 1 . . . . . 414 GLY N . 53110 1 348 . 1 . 1 88 88 ALA H H 1 8.330756703 0.0015458881 . 1 . . . . . 415 ALA H . 53110 1 349 . 1 . 1 88 88 ALA C C 13 178.4082834 0.0057999515 . 1 . . . . . 415 ALA C . 53110 1 350 . 1 . 1 88 88 ALA CA C 13 52.7940962 0.0150933232 . 1 . . . . . 415 ALA CA . 53110 1 351 . 1 . 1 88 88 ALA CB C 13 19.13502405 . . 1 . . . . . 415 ALA CB . 53110 1 352 . 1 . 1 88 88 ALA N N 15 123.8604554 0.0134269067 . 1 . . . . . 415 ALA N . 53110 1 353 . 1 . 1 89 89 GLY H H 1 8.485334506 0.0010375889 . 1 . . . . . 416 GLY H . 53110 1 354 . 1 . 1 89 89 GLY C C 13 174.0221571 0.0076907 . 1 . . . . . 416 GLY C . 53110 1 355 . 1 . 1 89 89 GLY CA C 13 45.19893591 0.0005250064 . 1 . . . . . 416 GLY CA . 53110 1 356 . 1 . 1 89 89 GLY N N 15 108.2336741 0.0320728965 . 1 . . . . . 416 GLY N . 53110 1 357 . 1 . 1 90 90 ALA H H 1 8.182557824 0.0014879082 . 1 . . . . . 417 ALA H . 53110 1 358 . 1 . 1 90 90 ALA C C 13 177.463585 0.0094178618 . 1 . . . . . 417 ALA C . 53110 1 359 . 1 . 1 90 90 ALA CA C 13 52.5361512 . . 1 . . . . . 417 ALA CA . 53110 1 360 . 1 . 1 90 90 ALA CB C 13 19.39066779 . . 1 . . . . . 417 ALA CB . 53110 1 361 . 1 . 1 90 90 ALA N N 15 123.7793036 0.0273693 . 1 . . . . . 417 ALA N . 53110 1 362 . 1 . 1 91 91 ALA H H 1 8.369225987 0.0016868396 . 1 . . . . . 418 ALA H . 53110 1 363 . 1 . 1 91 91 ALA C C 13 177.8507619 0.0141238923 . 1 . . . . . 418 ALA C . 53110 1 364 . 1 . 1 91 91 ALA CA C 13 52.33150456 0.0454579834 . 1 . . . . . 418 ALA CA . 53110 1 365 . 1 . 1 91 91 ALA CB C 13 19.46172458 . . 1 . . . . . 418 ALA CB . 53110 1 366 . 1 . 1 91 91 ALA N N 15 123.029591 0.0138377725 . 1 . . . . . 418 ALA N . 53110 1 367 . 1 . 1 92 92 GLY H H 1 8.216207505 0.0009634318 . 1 . . . . . 419 GLY H . 53110 1 368 . 1 . 1 92 92 GLY C C 13 179.0047466 . . 1 . . . . . 419 GLY C . 53110 1 369 . 1 . 1 92 92 GLY CA C 13 44.50817665 . . 1 . . . . . 419 GLY CA . 53110 1 370 . 1 . 1 92 92 GLY N N 15 108.0712281 0.0226614315 . 1 . . . . . 419 GLY N . 53110 1 371 . 1 . 1 93 93 PRO C C 13 177.8332683 0.0130655946 . 1 . . . . . 420 PRO C . 53110 1 372 . 1 . 1 93 93 PRO CA C 13 63.58957574 . . 1 . . . . . 420 PRO CA . 53110 1 373 . 1 . 1 94 94 GLY H H 1 8.693782392 0.0018751095 . 1 . . . . . 421 GLY H . 53110 1 374 . 1 . 1 94 94 GLY C C 13 174.4411143 0.0079043853 . 1 . . . . . 421 GLY C . 53110 1 375 . 1 . 1 94 94 GLY CA C 13 45.27743481 0.0128738052 . 1 . . . . . 421 GLY CA . 53110 1 376 . 1 . 1 94 94 GLY N N 15 110.1068881 0.0045188239 . 1 . . . . . 421 GLY N . 53110 1 377 . 1 . 1 95 95 SER H H 1 8.299305236 0.001933917 . 1 . . . . . 422 SER H . 53110 1 378 . 1 . 1 95 95 SER C C 13 175.1237643 . . 1 . . . . . 422 SER C . 53110 1 379 . 1 . 1 95 95 SER CA C 13 58.72615124 0.020342597 . 1 . . . . . 422 SER CA . 53110 1 380 . 1 . 1 95 95 SER CB C 13 63.98742598 . . 1 . . . . . 422 SER CB . 53110 1 381 . 1 . 1 95 95 SER N N 15 115.6134406 0.0186168726 . 1 . . . . . 422 SER N . 53110 1 382 . 1 . 1 96 96 GLY H H 1 8.589191379 0.0009275014 . 1 . . . . . 423 GLY H . 53110 1 383 . 1 . 1 96 96 GLY C C 13 173.8036917 0.0101350864 . 1 . . . . . 423 GLY C . 53110 1 384 . 1 . 1 96 96 GLY CA C 13 45.04054728 0.0080713095 . 1 . . . . . 423 GLY CA . 53110 1 385 . 1 . 1 96 96 GLY N N 15 110.8825495 0.0268413918 . 1 . . . . . 423 GLY N . 53110 1 386 . 1 . 1 97 97 SER H H 1 8.269911387 0.0015114792 . 1 . . . . . 424 SER H . 53110 1 387 . 1 . 1 97 97 SER C C 13 172.9622447 . . 1 . . . . . 424 SER C . 53110 1 388 . 1 . 1 97 97 SER CA C 13 56.45077199 . . 1 . . . . . 424 SER CA . 53110 1 389 . 1 . 1 97 97 SER CB C 13 63.42833453 . . 1 . . . . . 424 SER CB . 53110 1 390 . 1 . 1 97 97 SER N N 15 116.840516 0.0195353124 . 1 . . . . . 424 SER N . 53110 1 391 . 1 . 1 98 98 PRO C C 13 177.165858 . . 1 . . . . . 425 PRO C . 53110 1 392 . 1 . 1 98 98 PRO CA C 13 63.53950955 . . 1 . . . . . 425 PRO CA . 53110 1 393 . 1 . 1 99 99 SER H H 1 8.440306438 0.0023645393 . 1 . . . . . 426 SER H . 53110 1 394 . 1 . 1 99 99 SER C C 13 174.5734234 . . 1 . . . . . 426 SER C . 53110 1 395 . 1 . 1 99 99 SER CA C 13 58.39686014 0.0096603804 . 1 . . . . . 426 SER CA . 53110 1 396 . 1 . 1 99 99 SER CB C 13 63.91989253 . . 1 . . . . . 426 SER CB . 53110 1 397 . 1 . 1 99 99 SER N N 15 115.8849058 0.0117597799 . 1 . . . . . 426 SER N . 53110 1 398 . 1 . 1 100 100 ALA H H 1 8.405907517 0.0012005233 . 1 . . . . . 427 ALA H . 53110 1 399 . 1 . 1 100 100 ALA C C 13 177.7809716 0.01755975583 . 1 . . . . . 427 ALA C . 53110 1 400 . 1 . 1 100 100 ALA CA C 13 52.73009853 . . 1 . . . . . 427 ALA CA . 53110 1 401 . 1 . 1 100 100 ALA CB C 13 19.12022409 . . 1 . . . . . 427 ALA CB . 53110 1 402 . 1 . 1 100 100 ALA N N 15 126.3400601 0.0164014735 . 1 . . . . . 427 ALA N . 53110 1 403 . 1 . 1 101 101 ALA H H 1 8.289580713 0.00483071187 . 1 . . . . . 428 ALA H . 53110 1 404 . 1 . 1 101 101 ALA C C 13 177.7924958 0.001716728207 . 1 . . . . . 428 ALA C . 53110 1 405 . 1 . 1 101 101 ALA CA C 13 52.72979196 0.02936770837 . 1 . . . . . 428 ALA CA . 53110 1 406 . 1 . 1 101 101 ALA CB C 13 18.99744386 . . 1 . . . . . 428 ALA CB . 53110 1 407 . 1 . 1 101 101 ALA N N 15 122.9412804 0.03426364198 . 1 . . . . . 428 ALA N . 53110 1 408 . 1 . 1 102 102 ALA H H 1 8.294240435 0.005290780935 . 1 . . . . . 429 ALA H . 53110 1 409 . 1 . 1 102 102 ALA C C 13 178.1291163 . . 1 . . . . . 429 ALA C . 53110 1 410 . 1 . 1 102 102 ALA CA C 13 52.90232378 . . 1 . . . . . 429 ALA CA . 53110 1 411 . 1 . 1 102 102 ALA CB C 13 18.97917032 . . 1 . . . . . 429 ALA CB . 53110 1 412 . 1 . 1 102 102 ALA N N 15 123.0354471 0.07500443615 . 1 . . . . . 429 ALA N . 53110 1 413 . 1 . 1 103 103 SER H H 1 8.274372813 0.004131713 . 1 . . . . . 430 SER H . 53110 1 414 . 1 . 1 103 103 SER C C 13 174.8659375 . . 1 . . . . . 430 SER C . 53110 1 415 . 1 . 1 103 103 SER CA C 13 58.53199177 . . 1 . . . . . 430 SER CA . 53110 1 416 . 1 . 1 103 103 SER CB C 13 63.60904974 . . 1 . . . . . 430 SER CB . 53110 1 417 . 1 . 1 103 103 SER N N 15 114.6598819 0.0367626403 . 1 . . . . . 430 SER N . 53110 1 418 . 1 . 1 104 104 SER H H 1 8.369092093 0.0032574059 . 1 . . . . . 431 SER H . 53110 1 419 . 1 . 1 104 104 SER C C 13 174.7310941 . . 1 . . . . . 431 SER C . 53110 1 420 . 1 . 1 104 104 SER CA C 13 58.70571682 . . 1 . . . . . 431 SER CA . 53110 1 421 . 1 . 1 104 104 SER CB C 13 63.62750053 0 . 1 . . . . . 431 SER CB . 53110 1 422 . 1 . 1 104 104 SER N N 15 117.6945411 0.0258320692 . 1 . . . . . 431 SER N . 53110 1 423 . 1 . 1 105 105 SER H H 1 8.34823969 0.0044582067 . 1 . . . . . 432 SER H . 53110 1 424 . 1 . 1 105 105 SER C C 13 174.5128154 . . 1 . . . . . 432 SER C . 53110 1 425 . 1 . 1 105 105 SER CA C 13 58.68301907 0.0429500469 . 1 . . . . . 432 SER CA . 53110 1 426 . 1 . 1 105 105 SER N N 15 117.4911036 0.0146346576 . 1 . . . . . 432 SER N . 53110 1 427 . 1 . 1 106 106 TRP H H 1 8.099494934 0.0041637576 . 1 . . . . . 433 TRP H . 53110 1 428 . 1 . 1 106 106 TRP C C 13 176.1251758 0.016134049 . 1 . . . . . 433 TRP C . 53110 1 429 . 1 . 1 106 106 TRP CA C 13 57.9407495 0.0329388423 . 1 . . . . . 433 TRP CA . 53110 1 430 . 1 . 1 106 106 TRP N N 15 122.6359666 0.0203576828 . 1 . . . . . 433 TRP N . 53110 1 431 . 1 . 1 107 107 HIS H H 1 7.941145028 0.004353118 . 1 . . . . . 434 HIS H . 53110 1 432 . 1 . 1 107 107 HIS C C 13 175.4106496 . . 1 . . . . . 434 HIS C . 53110 1 433 . 1 . 1 107 107 HIS CA C 13 56.66842136 0.0136572579 . 1 . . . . . 434 HIS CA . 53110 1 434 . 1 . 1 107 107 HIS N N 15 119.5989315 0.0365733359 . 1 . . . . . 434 HIS N . 53110 1 435 . 1 . 1 108 108 THR H H 1 7.965393883 0.0024467072 . 1 . . . . . 435 THR H . 53110 1 436 . 1 . 1 108 108 THR C C 13 174.3406909 . . 1 . . . . . 435 THR C . 53110 1 437 . 1 . 1 108 108 THR CA C 13 62.37899965 0.0208497636 . 1 . . . . . 435 THR CA . 53110 1 438 . 1 . 1 108 108 THR N N 15 114.8432704 0.0028938807 . 1 . . . . . 435 THR N . 53110 1 439 . 1 . 1 109 109 LEU H H 1 8.177823214 0.0026277848 . 1 . . . . . 436 LEU H . 53110 1 440 . 1 . 1 109 109 LEU C C 13 176.9579169 . . 1 . . . . . 436 LEU C . 53110 1 441 . 1 . 1 109 109 LEU CA C 13 55.5230939 0.030710551 . 1 . . . . . 436 LEU CA . 53110 1 442 . 1 . 1 109 109 LEU N N 15 123.8449004 0.0138114298 . 1 . . . . . 436 LEU N . 53110 1 443 . 1 . 1 110 110 PHE H H 1 8.219407015 0.0061279465 . 1 . . . . . 437 PHE H . 53110 1 444 . 1 . 1 110 110 PHE C C 13 175.8326452 . . 1 . . . . . 437 PHE C . 53110 1 445 . 1 . 1 110 110 PHE CA C 13 57.79286636 0.0585145084 . 1 . . . . . 437 PHE CA . 53110 1 446 . 1 . 1 110 110 PHE N N 15 120.6521036 0.0576139492 . 1 . . . . . 437 PHE N . 53110 1 447 . 1 . 1 111 111 THR H H 1 8.177045186 0.0036876489 . 1 . . . . . 438 THR H . 53110 1 448 . 1 . 1 111 111 THR C C 13 174.1010443 . . 1 . . . . . 438 THR C . 53110 1 449 . 1 . 1 111 111 THR CA C 13 61.56752754 0.0250407688 . 1 . . . . . 438 THR CA . 53110 1 450 . 1 . 1 111 111 THR N N 15 115.8470345 0.0209329466 . 1 . . . . . 438 THR N . 53110 1 451 . 1 . 1 112 112 ALA H H 1 8.438985994 0.0027519103 . 1 . . . . . 439 ALA H . 53110 1 452 . 1 . 1 112 112 ALA C C 13 178.0758832 0.0093390914 . 1 . . . . . 439 ALA C . 53110 1 453 . 1 . 1 112 112 ALA CA C 13 52.88823377 0.0127071999 . 1 . . . . . 439 ALA CA . 53110 1 454 . 1 . 1 112 112 ALA CB C 13 19.22271712 . . 1 . . . . . 439 ALA CB . 53110 1 455 . 1 . 1 112 112 ALA N N 15 126.2067818 0.0112490295 . 1 . . . . . 439 ALA N . 53110 1 456 . 1 . 1 113 113 GLU H H 1 8.491169955 0.0024182403 . 1 . . . . . 440 GLU H . 53110 1 457 . 1 . 1 113 113 GLU C C 13 177.0161957 0.0064314368 . 1 . . . . . 440 GLU C . 53110 1 458 . 1 . 1 113 113 GLU CA C 13 57.02471409 . . 1 . . . . . 440 GLU CA . 53110 1 459 . 1 . 1 113 113 GLU CB C 13 30.19958192 . . 1 . . . . . 440 GLU CB . 53110 1 460 . 1 . 1 113 113 GLU N N 15 119.9397573 0.0141075587 . 1 . . . . . 440 GLU N . 53110 1 461 . 1 . 1 114 114 GLU H H 1 8.478077608 0.0023043092 . 1 . . . . . 441 GLU H . 53110 1 462 . 1 . 1 114 114 GLU C C 13 177.3335391 0.0084871133 . 1 . . . . . 441 GLU C . 53110 1 463 . 1 . 1 114 114 GLU CA C 13 57.33380968 0.0296449492 . 1 . . . . . 441 GLU CA . 53110 1 464 . 1 . 1 114 114 GLU CB C 13 30.12861978 . . 1 . . . . . 441 GLU CB . 53110 1 465 . 1 . 1 114 114 GLU N N 15 121.8140136 0.0254851568 . 1 . . . . . 441 GLU N . 53110 1 466 . 1 . 1 115 115 GLY H H 1 8.517562981 0.0014900002 . 1 . . . . . 442 GLY H . 53110 1 467 . 1 . 1 115 115 GLY C C 13 174.2557343 0.0141036016 . 1 . . . . . 442 GLY C . 53110 1 468 . 1 . 1 115 115 GLY CA C 13 45.53447889 0.0077803606 . 1 . . . . . 442 GLY CA . 53110 1 469 . 1 . 1 115 115 GLY N N 15 109.5959948 0.0054972797 . 1 . . . . . 442 GLY N . 53110 1 470 . 1 . 1 116 116 GLN H H 1 8.110893468 0.0020725021 . 1 . . . . . 443 GLN H . 53110 1 471 . 1 . 1 116 116 GLN C C 13 175.8844398 0.0173919377 . 1 . . . . . 443 GLN C . 53110 1 472 . 1 . 1 116 116 GLN CA C 13 55.77276836 0.0155823447 . 1 . . . . . 443 GLN CA . 53110 1 473 . 1 . 1 116 116 GLN CB C 13 29.28130695 . . 1 . . . . . 443 GLN CB . 53110 1 474 . 1 . 1 116 116 GLN N N 15 119.4679291 0.0158320379 . 1 . . . . . 443 GLN N . 53110 1 475 . 1 . 1 117 117 LEU H H 1 8.231239173 0.0019857489 . 1 . . . . . 444 LEU H . 53110 1 476 . 1 . 1 117 117 LEU C C 13 177.0241453 0.0095952587 . 1 . . . . . 444 LEU C . 53110 1 477 . 1 . 1 117 117 LEU CA C 13 55.43140121 0.0117479845 . 1 . . . . . 444 LEU CA . 53110 1 478 . 1 . 1 117 117 LEU N N 15 122.8514249 0.0349747184 . 1 . . . . . 444 LEU N . 53110 1 479 . 1 . 1 118 118 TYR H H 1 8.242113001 0.0030732685 . 1 . . . . . 445 TYR H . 53110 1 480 . 1 . 1 118 118 TYR C C 13 175.9707581 0.0174174685 . 1 . . . . . 445 TYR C . 53110 1 481 . 1 . 1 118 118 TYR CA C 13 57.44567026 0.0379585355 . 1 . . . . . 445 TYR CA . 53110 1 482 . 1 . 1 118 118 TYR CB C 13 39.05075479 . . 1 . . . . . 445 TYR CB . 53110 1 483 . 1 . 1 118 118 TYR N N 15 119.4772974 0.0162400679 . 1 . . . . . 445 TYR N . 53110 1 484 . 1 . 1 119 119 GLY H H 1 8.166176658 0.0024977783 . 1 . . . . . 446 GLY H . 53110 1 485 . 1 . 1 119 119 GLY C C 13 178.7612263 . . 1 . . . . . 446 GLY C . 53110 1 486 . 1 . 1 119 119 GLY CA C 13 44.6173222 . . 1 . . . . . 446 GLY CA . 53110 1 487 . 1 . 1 119 119 GLY N N 15 109.720793 0.0244040806 . 1 . . . . . 446 GLY N . 53110 1 488 . 1 . 1 120 120 PRO C C 13 177.5711659 0.0077376094 . 1 . . . . . 447 PRO C . 53110 1 489 . 1 . 1 120 120 PRO CA C 13 63.29181007 . . 1 . . . . . 447 PRO CA . 53110 1 490 . 1 . 1 120 120 PRO CB C 13 31.94797658 . . 1 . . . . . 447 PRO CB . 53110 1 491 . 1 . 1 121 121 SER H H 1 8.633309658 0.0021276223 . 1 . . . . . 448 SER H . 53110 1 492 . 1 . 1 121 121 SER C C 13 175.3239915 . . 1 . . . . . 448 SER C . 53110 1 493 . 1 . 1 121 121 SER CA C 13 58.60154177 0.0545610848 . 1 . . . . . 448 SER CA . 53110 1 494 . 1 . 1 121 121 SER CB C 13 63.94152996 . . 1 . . . . . 448 SER CB . 53110 1 495 . 1 . 1 121 121 SER N N 15 116.0911167 0.026346861 . 1 . . . . . 448 SER N . 53110 1 496 . 1 . 1 122 122 GLY H H 1 8.495519641 0.0026019919 . 1 . . . . . 449 GLY H . 53110 1 497 . 1 . 1 122 122 GLY C C 13 174.7042845 0.0138697774 . 1 . . . . . 449 GLY C . 53110 1 498 . 1 . 1 122 122 GLY CA C 13 45.35619363 0.0446058194 . 1 . . . . . 449 GLY CA . 53110 1 499 . 1 . 1 122 122 GLY N N 15 110.8894118 0.0224751528 . 1 . . . . . 449 GLY N . 53110 1 500 . 1 . 1 123 123 GLY H H 1 8.371194503 0.0011638321 . 1 . . . . . 450 GLY H . 53110 1 501 . 1 . 1 123 123 GLY C C 13 174.7674531 0.0286907707 . 1 . . . . . 450 GLY C . 53110 1 502 . 1 . 1 123 123 GLY CA C 13 45.30138643 . . 1 . . . . . 450 GLY CA . 53110 1 503 . 1 . 1 123 123 GLY N N 15 108.6221911 0.0100231862 . 1 . . . . . 450 GLY N . 53110 1 504 . 1 . 1 124 124 GLY H H 1 8.472727059 0.0339009399 . 1 . . . . . 451 GLY H . 53110 1 505 . 1 . 1 124 124 GLY C C 13 174.8213985 . . 1 . . . . . 451 GLY C . 53110 1 506 . 1 . 1 124 124 GLY CA C 13 45.22788392 . . 1 . . . . . 451 GLY CA . 53110 1 507 . 1 . 1 124 124 GLY N N 15 108.9221486 0.0102230383 . 1 . . . . . 451 GLY N . 53110 1 508 . 1 . 1 125 125 GLY H H 1 8.413431031 0.0008928345 . 1 . . . . . 452 GLY H . 53110 1 509 . 1 . 1 125 125 GLY C C 13 174.3415769 0.002406396 . 1 . . . . . 452 GLY C . 53110 1 510 . 1 . 1 125 125 GLY CA C 13 45.10001595 0.0133354584 . 1 . . . . . 452 GLY CA . 53110 1 511 . 1 . 1 125 125 GLY N N 15 108.9270792 0.0102329192 . 1 . . . . . 452 GLY N . 53110 1 512 . 1 . 1 126 126 GLU H H 1 8.551941364 0.0023424686 . 1 . . . . . 453 GLU H . 53110 1 513 . 1 . 1 126 126 GLU C C 13 176.7026397 0.0058337448 . 1 . . . . . 453 GLU C . 53110 1 514 . 1 . 1 126 126 GLU CA C 13 56.65892309 0.0188410019 . 1 . . . . . 453 GLU CA . 53110 1 515 . 1 . 1 126 126 GLU CB C 13 30.10065089 . . 1 . . . . . 453 GLU CB . 53110 1 516 . 1 . 1 126 126 GLU N N 15 121.0156406 0.0315422676 . 1 . . . . . 453 GLU N . 53110 1 517 . 1 . 1 127 127 ALA H H 1 8.561707905 0.0013343372 . 1 . . . . . 454 ALA H . 53110 1 518 . 1 . 1 127 127 ALA C C 13 178.41298 0.0056190892 . 1 . . . . . 454 ALA C . 53110 1 519 . 1 . 1 127 127 ALA CA C 13 52.95841814 0.0020224373 . 1 . . . . . 454 ALA CA . 53110 1 520 . 1 . 1 127 127 ALA CB C 13 18.91031954 . . 1 . . . . . 454 ALA CB . 53110 1 521 . 1 . 1 127 127 ALA N N 15 125.2067004 0.0156717744 . 1 . . . . . 454 ALA N . 53110 1 522 . 1 . 1 128 128 GLY H H 1 8.409001228 0.0017149001 . 1 . . . . . 455 GLY H . 53110 1 523 . 1 . 1 128 128 GLY C C 13 173.7506089 0.0093337134 . 1 . . . . . 455 GLY C . 53110 1 524 . 1 . 1 128 128 GLY CA C 13 45.11788104 0.004999699 . 1 . . . . . 455 GLY CA . 53110 1 525 . 1 . 1 128 128 GLY N N 15 108.2197836 0.0210446816 . 1 . . . . . 455 GLY N . 53110 1 526 . 1 . 1 129 129 ALA H H 1 8.085582565 0.0013522738 . 1 . . . . . 456 ALA H . 53110 1 527 . 1 . 1 129 129 ALA C C 13 177.6392902 0.0055548155 . 1 . . . . . 456 ALA C . 53110 1 528 . 1 . 1 129 129 ALA CA C 13 52.35314246 0.0026073976 . 1 . . . . . 456 ALA CA . 53110 1 529 . 1 . 1 129 129 ALA CB C 13 19.48783833 0.0508023581 . 1 . . . . . 456 ALA CB . 53110 1 530 . 1 . 1 129 129 ALA N N 15 123.5773424 0.0133549165 . 1 . . . . . 456 ALA N . 53110 1 531 . 1 . 1 130 130 VAL H H 1 8.211227724 0.0024141984 . 1 . . . . . 457 VAL H . 53110 1 532 . 1 . 1 130 130 VAL C C 13 175.5533816 0.0025027743 . 1 . . . . . 457 VAL C . 53110 1 533 . 1 . 1 130 130 VAL CA C 13 61.8234212 0.0044434951 . 1 . . . . . 457 VAL CA . 53110 1 534 . 1 . 1 130 130 VAL CB C 13 33.21525914 . . 1 . . . . . 457 VAL CB . 53110 1 535 . 1 . 1 130 130 VAL N N 15 119.6136953 0.0327268484 . 1 . . . . . 457 VAL N . 53110 1 536 . 1 . 1 131 131 ALA H H 1 8.456979182 0.0020442997 . 1 . . . . . 458 ALA H . 53110 1 537 . 1 . 1 131 131 ALA C C 13 175.3513365 . . 1 . . . . . 458 ALA C . 53110 1 538 . 1 . 1 131 131 ALA CA C 13 50.3283394 . . 1 . . . . . 458 ALA CA . 53110 1 539 . 1 . 1 131 131 ALA CB C 13 18.25514879 . . 1 . . . . . 458 ALA CB . 53110 1 540 . 1 . 1 131 131 ALA N N 15 129.381005 0.0156149977 . 1 . . . . . 458 ALA N . 53110 1 541 . 1 . 1 132 132 PRO C C 13 176.5062707 . . 1 . . . . . 459 PRO C . 53110 1 542 . 1 . 1 132 132 PRO CA C 13 63.07820892 . . 1 . . . . . 459 PRO CA . 53110 1 543 . 1 . 1 133 133 TYR H H 1 8.280395003 0.0020799858 . 1 . . . . . 460 TYR H . 53110 1 544 . 1 . 1 133 133 TYR C C 13 176.4566517 0.0065205563 . 1 . . . . . 460 TYR C . 53110 1 545 . 1 . 1 133 133 TYR CA C 13 58.18213354 0.0212764586 . 1 . . . . . 460 TYR CA . 53110 1 546 . 1 . 1 133 133 TYR N N 15 120.1050775 0.0399672739 . 1 . . . . . 460 TYR N . 53110 1 547 . 1 . 1 134 134 GLY H H 1 8.260750513 0.0046377784 . 1 . . . . . 461 GLY H . 53110 1 548 . 1 . 1 134 134 GLY C C 13 173.4520745 . . 1 . . . . . 461 GLY C . 53110 1 549 . 1 . 1 134 134 GLY CA C 13 45.10215715 0.0449466853 . 1 . . . . . 461 GLY CA . 53110 1 550 . 1 . 1 134 134 GLY N N 15 111.1907404 0.0212097392 . 1 . . . . . 461 GLY N . 53110 1 551 . 1 . 1 135 135 TYR H H 1 7.980407429 0.0030014929 . 1 . . . . . 462 TYR H . 53110 1 552 . 1 . 1 135 135 TYR C C 13 175.6358091 0.0099324482 . 1 . . . . . 462 TYR C . 53110 1 553 . 1 . 1 135 135 TYR CA C 13 57.98029815 0.03226873 . 1 . . . . . 462 TYR CA . 53110 1 554 . 1 . 1 135 135 TYR N N 15 120.2166843 0.0121358103 . 1 . . . . . 462 TYR N . 53110 1 555 . 1 . 1 136 136 THR H H 1 8.118573965 0.0011941345 . 1 . . . . . 463 THR H . 53110 1 556 . 1 . 1 136 136 THR C C 13 173.3015985 . . 1 . . . . . 463 THR C . 53110 1 557 . 1 . 1 136 136 THR CA C 13 61.45290369 0.0402154801 . 1 . . . . . 463 THR CA . 53110 1 558 . 1 . 1 136 136 THR N N 15 117.9985991 0.0225023886 . 1 . . . . . 463 THR N . 53110 1 559 . 1 . 1 137 137 ARG H H 1 8.40766576 0.0018273961 . 1 . . . . . 464 ARG H . 53110 1 560 . 1 . 1 137 137 ARG C C 13 173.6296827 . . 1 . . . . . 464 ARG C . 53110 1 561 . 1 . 1 137 137 ARG CA C 13 54.01345809 . . 1 . . . . . 464 ARG CA . 53110 1 562 . 1 . 1 137 137 ARG CB C 13 29.89080674 . . 1 . . . . . 464 ARG CB . 53110 1 563 . 1 . 1 137 137 ARG N N 15 125.3337143 0.0351948208 . 1 . . . . . 464 ARG N . 53110 1 564 . 1 . 1 139 139 PRO C C 13 176.8426855 0.0083926428 . 1 . . . . . 466 PRO C . 53110 1 565 . 1 . 1 139 139 PRO CA C 13 63.05972795 . . 1 . . . . . 466 PRO CA . 53110 1 566 . 1 . 1 139 139 PRO CB C 13 31.75064015 . . 1 . . . . . 466 PRO CB . 53110 1 567 . 1 . 1 140 140 GLN H H 1 8.610509088 0.0018229104 . 1 . . . . . 467 GLN H . 53110 1 568 . 1 . 1 140 140 GLN C C 13 176.4488045 0.0189303114 . 1 . . . . . 467 GLN C . 53110 1 569 . 1 . 1 140 140 GLN CA C 13 55.86743056 0.0075820732 . 1 . . . . . 467 GLN CA . 53110 1 570 . 1 . 1 140 140 GLN CB C 13 29.90144523 . . 1 . . . . . 467 GLN CB . 53110 1 571 . 1 . 1 140 140 GLN N N 15 120.5335741 0.0197364904 . 1 . . . . . 467 GLN N . 53110 1 572 . 1 . 1 141 141 GLY H H 1 8.522843368 0.0010172358 . 1 . . . . . 468 GLY H . 53110 1 573 . 1 . 1 141 141 GLY C C 13 173.9764188 0.0056951028 . 1 . . . . . 468 GLY C . 53110 1 574 . 1 . 1 141 141 GLY CA C 13 45.166977 0.0049799954 . 1 . . . . . 468 GLY CA . 53110 1 575 . 1 . 1 141 141 GLY N N 15 110.329628 0.0084144271 . 1 . . . . . 468 GLY N . 53110 1 576 . 1 . 1 142 142 LEU H H 1 8.263490959 0.002128233 . 1 . . . . . 469 LEU H . 53110 1 577 . 1 . 1 142 142 LEU C C 13 177.3543426 0.0111590543 . 1 . . . . . 469 LEU C . 53110 1 578 . 1 . 1 142 142 LEU CA C 13 54.9751282 0.0036774813 . 1 . . . . . 469 LEU CA . 53110 1 579 . 1 . 1 142 142 LEU CB C 13 42.59114642 0.0706839092 . 1 . . . . . 469 LEU CB . 53110 1 580 . 1 . 1 142 142 LEU N N 15 121.8403887 0.0128842899 . 1 . . . . . 469 LEU N . 53110 1 581 . 1 . 1 143 143 ALA H H 1 8.491031368 0.0011325866 . 1 . . . . . 470 ALA H . 53110 1 582 . 1 . 1 143 143 ALA C C 13 178.3719946 0.012037841 . 1 . . . . . 470 ALA C . 53110 1 583 . 1 . 1 143 143 ALA CA C 13 52.78045303 0.038589281 . 1 . . . . . 470 ALA CA . 53110 1 584 . 1 . 1 143 143 ALA CB C 13 18.96866741 . . 1 . . . . . 470 ALA CB . 53110 1 585 . 1 . 1 143 143 ALA N N 15 124.8937266 0.025454381 . 1 . . . . . 470 ALA N . 53110 1 586 . 1 . 1 144 144 GLY H H 1 8.567914658 0.0017182862 . 1 . . . . . 471 GLY H . 53110 1 587 . 1 . 1 144 144 GLY C C 13 174.2834851 0.007287426 . 1 . . . . . 471 GLY C . 53110 1 588 . 1 . 1 144 144 GLY CA C 13 45.29644052 0.0236413347 . 1 . . . . . 471 GLY CA . 53110 1 589 . 1 . 1 144 144 GLY N N 15 108.9358265 0.0107521926 . 1 . . . . . 471 GLY N . 53110 1 590 . 1 . 1 145 145 GLN H H 1 8.278730227 0.0018567375 . 1 . . . . . 472 GLN H . 53110 1 591 . 1 . 1 145 145 GLN C C 13 176.2282609 0.0136146606 . 1 . . . . . 472 GLN C . 53110 1 592 . 1 . 1 145 145 GLN CA C 13 55.61596894 0.0308979027 . 1 . . . . . 472 GLN CA . 53110 1 593 . 1 . 1 145 145 GLN CB C 13 29.59096383 . . 1 . . . . . 472 GLN CB . 53110 1 594 . 1 . 1 145 145 GLN N N 15 119.6312973 0.0063088238 . 1 . . . . . 472 GLN N . 53110 1 595 . 1 . 1 146 146 GLU H H 1 8.795050395 0.0014462977 . 1 . . . . . 473 GLU H . 53110 1 596 . 1 . 1 146 146 GLU C C 13 176.8110788 0.00592682 . 1 . . . . . 473 GLU C . 53110 1 597 . 1 . 1 146 146 GLU CA C 13 57.19463056 0.009682308 . 1 . . . . . 473 GLU CA . 53110 1 598 . 1 . 1 146 146 GLU CB C 13 29.80886294 . . 1 . . . . . 473 GLU CB . 53110 1 599 . 1 . 1 146 146 GLU N N 15 122.3342839 0.0099203646 . 1 . . . . . 473 GLU N . 53110 1 600 . 1 . 1 147 147 SER H H 1 8.417460621 0.0004830146 . 1 . . . . . 474 SER H . 53110 1 601 . 1 . 1 147 147 SER C C 13 174.0605519 0.0100175321 . 1 . . . . . 474 SER C . 53110 1 602 . 1 . 1 147 147 SER CA C 13 58.53045585 0.0362638276 . 1 . . . . . 474 SER CA . 53110 1 603 . 1 . 1 147 147 SER CB C 13 63.95140864 0.0277510328 . 1 . . . . . 474 SER CB . 53110 1 604 . 1 . 1 147 147 SER N N 15 116.0985158 0.0164594761 . 1 . . . . . 474 SER N . 53110 1 605 . 1 . 1 148 148 ASP H H 1 8.357597354 0.0022311969 . 1 . . . . . 475 ASP H . 53110 1 606 . 1 . 1 148 148 ASP C C 13 175.9357246 0.019129051 . 1 . . . . . 475 ASP C . 53110 1 607 . 1 . 1 148 148 ASP CA C 13 54.35360421 0.0003835941 . 1 . . . . . 475 ASP CA . 53110 1 608 . 1 . 1 148 148 ASP CB C 13 40.9169235 0.005500515 . 1 . . . . . 475 ASP CB . 53110 1 609 . 1 . 1 148 148 ASP N N 15 122.0909377 0.0085609143 . 1 . . . . . 475 ASP N . 53110 1 610 . 1 . 1 149 149 PHE H H 1 8.232781784 0.0019391582 . 1 . . . . . 476 PHE H . 53110 1 611 . 1 . 1 149 149 PHE C C 13 175.6589028 0.0137557084 . 1 . . . . . 476 PHE C . 53110 1 612 . 1 . 1 149 149 PHE CA C 13 57.91575373 0.0175028716 . 1 . . . . . 476 PHE CA . 53110 1 613 . 1 . 1 149 149 PHE CB C 13 39.5273522 . . 1 . . . . . 476 PHE CB . 53110 1 614 . 1 . 1 149 149 PHE N N 15 120.6763604 0.0142605821 . 1 . . . . . 476 PHE N . 53110 1 615 . 1 . 1 150 150 THR H H 1 8.111578785 0.0021407291 . 1 . . . . . 477 THR H . 53110 1 616 . 1 . 1 150 150 THR C C 13 173.4456616 0.0110682 . 1 . . . . . 477 THR C . 53110 1 617 . 1 . 1 150 150 THR CA C 13 61.65875613 0.0543006602 . 1 . . . . . 477 THR CA . 53110 1 618 . 1 . 1 150 150 THR CB C 13 70.03339146 . . 1 . . . . . 477 THR CB . 53110 1 619 . 1 . 1 150 150 THR N N 15 116.9726677 0.0221290035 . 1 . . . . . 477 THR N . 53110 1 620 . 1 . 1 151 151 ALA H H 1 8.351065609 0.0013268229 . 1 . . . . . 478 ALA H . 53110 1 621 . 1 . 1 151 151 ALA C C 13 175.4332945 . . 1 . . . . . 478 ALA C . 53110 1 622 . 1 . 1 151 151 ALA CA C 13 50.6038587 . . 1 . . . . . 478 ALA CA . 53110 1 623 . 1 . 1 151 151 ALA CB C 13 18.18447481 . . 1 . . . . . 478 ALA CB . 53110 1 624 . 1 . 1 151 151 ALA N N 15 128.4050124 0.0156976268 . 1 . . . . . 478 ALA N . 53110 1 625 . 1 . 1 152 152 PRO C C 13 176.4755995 0.0113824246 . 1 . . . . . 479 PRO C . 53110 1 626 . 1 . 1 152 152 PRO CA C 13 63.05823115 . . 1 . . . . . 479 PRO CA . 53110 1 627 . 1 . 1 153 153 ASP H H 1 8.464846562 0.0018738428 . 1 . . . . . 480 ASP H . 53110 1 628 . 1 . 1 153 153 ASP C C 13 176.0452762 0.027654673 . 1 . . . . . 480 ASP C . 53110 1 629 . 1 . 1 153 153 ASP CA C 13 54.50004717 0.0526965614 . 1 . . . . . 480 ASP CA . 53110 1 630 . 1 . 1 153 153 ASP CB C 13 41.21009397 . . 1 . . . . . 480 ASP CB . 53110 1 631 . 1 . 1 153 153 ASP N N 15 119.9074645 0.015657527 . 1 . . . . . 480 ASP N . 53110 1 632 . 1 . 1 154 154 VAL H H 1 7.969194413 0.0040542273 . 1 . . . . . 481 VAL H . 53110 1 633 . 1 . 1 154 154 VAL C C 13 175.1111909 0.0157007369 . 1 . . . . . 481 VAL C . 53110 1 634 . 1 . 1 154 154 VAL CA C 13 62.200732 0.0476544896 . 1 . . . . . 481 VAL CA . 53110 1 635 . 1 . 1 154 154 VAL CB C 13 33.65104172 . . 1 . . . . . 481 VAL CB . 53110 1 636 . 1 . 1 154 154 VAL N N 15 119.5335749 0.0228533454 . 1 . . . . . 481 VAL N . 53110 1 637 . 1 . 1 155 155 TRP H H 1 8.275098244 0.0008312366 . 1 . . . . . 482 TRP H . 53110 1 638 . 1 . 1 155 155 TRP C C 13 174.9125947 . . 1 . . . . . 482 TRP C . 53110 1 639 . 1 . 1 155 155 TRP CA C 13 57.40238719 0.0100253727 . 1 . . . . . 482 TRP CA . 53110 1 640 . 1 . 1 155 155 TRP N N 15 124.8583341 0.0368093623 . 1 . . . . . 482 TRP N . 53110 1 641 . 1 . 1 156 156 TYR H H 1 7.835800369 0.0019474517 . 1 . . . . . 483 TYR H . 53110 1 642 . 1 . 1 156 156 TYR CA C 13 55.33484768 . . 1 . . . . . 483 TYR CA . 53110 1 643 . 1 . 1 156 156 TYR N N 15 123.4172808 0.0234590207 . 1 . . . . . 483 TYR N . 53110 1 644 . 1 . 1 157 157 PRO C C 13 177.5398117 0 . 1 . . . . . 484 PRO C . 53110 1 645 . 1 . 1 158 158 GLY H H 1 8.285736208 0.0023289026 . 1 . . . . . 485 GLY H . 53110 1 646 . 1 . 1 158 158 GLY C C 13 174.7621625 . . 1 . . . . . 485 GLY C . 53110 1 647 . 1 . 1 158 158 GLY CA C 13 45.22793265 . . 1 . . . . . 485 GLY CA . 53110 1 648 . 1 . 1 158 158 GLY N N 15 109.3733776 0.0000033 . 1 . . . . . 485 GLY N . 53110 1 649 . 1 . 1 159 159 GLY H H 1 8.201638436 0.0010109584 . 1 . . . . . 486 GLY H . 53110 1 650 . 1 . 1 159 159 GLY C C 13 173.8771997 0.003889039 . 1 . . . . . 486 GLY C . 53110 1 651 . 1 . 1 159 159 GLY CA C 13 45.24792633 0.0208290058 . 1 . . . . . 486 GLY CA . 53110 1 652 . 1 . 1 159 159 GLY N N 15 108.5064128 0.0264439391 . 1 . . . . . 486 GLY N . 53110 1 653 . 1 . 1 160 160 MET H H 1 8.275998872 0.0007113209 . 1 . . . . . 487 MET H . 53110 1 654 . 1 . 1 160 160 MET C C 13 176.1405609 . . 1 . . . . . 487 MET C . 53110 1 655 . 1 . 1 160 160 MET CB C 13 33.01153545 . . 1 . . . . . 487 MET CB . 53110 1 656 . 1 . 1 160 160 MET N N 15 119.6577834 0.0443739031 . 1 . . . . . 487 MET N . 53110 1 657 . 1 . 1 161 161 VAL H H 1 8.252507189 0.0029759164 . 1 . . . . . 488 VAL H . 53110 1 658 . 1 . 1 161 161 VAL C C 13 175.9669836 . . 1 . . . . . 488 VAL C . 53110 1 659 . 1 . 1 161 161 VAL CA C 13 62.2883117 0.0193508923 . 1 . . . . . 488 VAL CA . 53110 1 660 . 1 . 1 161 161 VAL N N 15 121.4175245 0.0061774324 . 1 . . . . . 488 VAL N . 53110 1 661 . 1 . 1 162 162 SER H H 1 8.42933408 0.0037235307 . 1 . . . . . 489 SER H . 53110 1 662 . 1 . 1 162 162 SER C C 13 174.2662698 . . 1 . . . . . 489 SER C . 53110 1 663 . 1 . 1 162 162 SER CA C 13 58.12681214 0.0009911163 . 1 . . . . . 489 SER CA . 53110 1 664 . 1 . 1 162 162 SER N N 15 119.5419234 0.0180842436 . 1 . . . . . 489 SER N . 53110 1 665 . 1 . 1 163 163 ARG H H 1 8.480790326 0.001232308 . 1 . . . . . 490 ARG H . 53110 1 666 . 1 . 1 163 163 ARG C C 13 175.9331109 0 . 1 . . . . . 490 ARG C . 53110 1 667 . 1 . 1 163 163 ARG CA C 13 56.02343557 0.0252893508 . 1 . . . . . 490 ARG CA . 53110 1 668 . 1 . 1 163 163 ARG N N 15 123.5427576 0.0191506672 . 1 . . . . . 490 ARG N . 53110 1 669 . 1 . 1 164 164 VAL H H 1 8.213933099 0.0025158615 . 1 . . . . . 491 VAL H . 53110 1 670 . 1 . 1 164 164 VAL CA C 13 59.67810169 . . 1 . . . . . 491 VAL CA . 53110 1 671 . 1 . 1 164 164 VAL N N 15 122.4230841 0.0000033 . 1 . . . . . 491 VAL N . 53110 1 672 . 1 . 1 165 165 PRO C C 13 176.1293081 . . 1 . . . . . 492 PRO C . 53110 1 673 . 1 . 1 165 165 PRO CA C 13 63.11857263 . . 1 . . . . . 492 PRO CA . 53110 1 674 . 1 . 1 166 166 TYR H H 1 8.182005777 0.0022826966 . 1 . . . . . 493 TYR H . 53110 1 675 . 1 . 1 166 166 TYR C C 13 173.993235 . . 1 . . . . . 493 TYR C . 53110 1 676 . 1 . 1 166 166 TYR CA C 13 55.75141558 . . 1 . . . . . 493 TYR CA . 53110 1 677 . 1 . 1 166 166 TYR N N 15 121.5624651 0.0412659188 . 1 . . . . . 493 TYR N . 53110 1 678 . 1 . 1 167 167 PRO C C 13 176.3598016 . . 1 . . . . . 494 PRO C . 53110 1 679 . 1 . 1 167 167 PRO CA C 13 62.97759533 . . 1 . . . . . 494 PRO CA . 53110 1 680 . 1 . 1 168 168 SER H H 1 8.477349986 0.0021354229 . 1 . . . . . 495 SER H . 53110 1 681 . 1 . 1 168 168 SER CA C 13 56.43218139 . . 1 . . . . . 495 SER CA . 53110 1 682 . 1 . 1 168 168 SER CB C 13 63.63472997 . . 1 . . . . . 495 SER CB . 53110 1 683 . 1 . 1 168 168 SER N N 15 117.87398 0.0596861063 . 1 . . . . . 495 SER N . 53110 1 684 . 1 . 1 169 169 PRO C C 13 177.2437677 . . 1 . . . . . 496 PRO C . 53110 1 685 . 1 . 1 169 169 PRO CA C 13 63.7658635 . . 1 . . . . . 496 PRO CA . 53110 1 686 . 1 . 1 170 170 THR H H 1 8.244538779 0.0031108606 . 1 . . . . . 497 THR H . 53110 1 687 . 1 . 1 170 170 THR C C 13 174.5921281 0.0263312771 . 1 . . . . . 497 THR C . 53110 1 688 . 1 . 1 170 170 THR CA C 13 61.77367878 0.0466178276 . 1 . . . . . 497 THR CA . 53110 1 689 . 1 . 1 170 170 THR N N 15 113.0138523 0.0103158942 . 1 . . . . . 497 THR N . 53110 1 690 . 1 . 1 171 171 SER H H 1 8.278964741 0.0013600098 . 1 . . . . . 498 SER H . 53110 1 691 . 1 . 1 171 171 SER C C 13 174.3662086 . . 1 . . . . . 498 SER C . 53110 1 692 . 1 . 1 171 171 SER CA C 13 58.4139434 0.009196361 . 1 . . . . . 498 SER CA . 53110 1 693 . 1 . 1 171 171 SER N N 15 118.3197802 0.0163522376 . 1 . . . . . 498 SER N . 53110 1 694 . 1 . 1 172 172 VAL H H 1 8.255707504 0.0029106184 . 1 . . . . . 499 VAL H . 53110 1 695 . 1 . 1 172 172 VAL C C 13 176.1541831 0.0176217919 . 1 . . . . . 499 VAL C . 53110 1 696 . 1 . 1 172 172 VAL CA C 13 62.35994125 0.000872489 . 1 . . . . . 499 VAL CA . 53110 1 697 . 1 . 1 172 172 VAL CB C 13 32.8425622 . . 1 . . . . . 499 VAL CB . 53110 1 698 . 1 . 1 172 172 VAL N N 15 122.1951319 0.0475774427 . 1 . . . . . 499 VAL N . 53110 1 699 . 1 . 1 173 173 LYS H H 1 8.507465973 0.00186197 . 1 . . . . . 500 LYS H . 53110 1 700 . 1 . 1 173 173 LYS C C 13 176.6250613 0.0116319878 . 1 . . . . . 500 LYS C . 53110 1 701 . 1 . 1 173 173 LYS CA C 13 56.41917541 0.0205471291 . 1 . . . . . 500 LYS CA . 53110 1 702 . 1 . 1 173 173 LYS CB C 13 32.79889568 . . 1 . . . . . 500 LYS CB . 53110 1 703 . 1 . 1 173 173 LYS N N 15 125.6893647 0.023028275 . 1 . . . . . 500 LYS N . 53110 1 704 . 1 . 1 174 174 SER H H 1 8.456887485 0.0007895289 . 1 . . . . . 501 SER H . 53110 1 705 . 1 . 1 174 174 SER C C 13 174.6376434 . . 1 . . . . . 501 SER C . 53110 1 706 . 1 . 1 174 174 SER CA C 13 58.52630178 0.0648579921 . 1 . . . . . 501 SER CA . 53110 1 707 . 1 . 1 174 174 SER CB C 13 63.57970923 0 . 1 . . . . . 501 SER CB . 53110 1 708 . 1 . 1 174 174 SER N N 15 117.6668955 0.002282935 . 1 . . . . . 501 SER N . 53110 1 709 . 1 . 1 175 175 GLU H H 1 8.625314168 0.0016294578 . 1 . . . . . 502 GLU H . 53110 1 710 . 1 . 1 175 175 GLU C C 13 176.397288 0.0102514194 . 1 . . . . . 502 GLU C . 53110 1 711 . 1 . 1 175 175 GLU CA C 13 56.63036059 0.0216037705 . 1 . . . . . 502 GLU CA . 53110 1 712 . 1 . 1 175 175 GLU CB C 13 30.11722268 . . 1 . . . . . 502 GLU CB . 53110 1 713 . 1 . 1 175 175 GLU N N 15 123.0405555 0.0180322881 . 1 . . . . . 502 GLU N . 53110 1 714 . 1 . 1 176 176 MET H H 1 8.441712802 0.0012516395 . 1 . . . . . 503 MET H . 53110 1 715 . 1 . 1 176 176 MET C C 13 176.2159998 0.0111911379 . 1 . . . . . 503 MET C . 53110 1 716 . 1 . 1 176 176 MET CA C 13 55.34456426 0.0328719307 . 1 . . . . . 503 MET CA . 53110 1 717 . 1 . 1 176 176 MET CB C 13 33.24868013 . . 1 . . . . . 503 MET CB . 53110 1 718 . 1 . 1 176 176 MET N N 15 120.4908513 0.0172695127 . 1 . . . . . 503 MET N . 53110 1 719 . 1 . 1 177 177 GLY H H 1 8.004363803 0.0016807612 . 1 . . . . . 504 GLY H . 53110 1 720 . 1 . 1 177 177 GLY CA C 13 44.71067236 . . 1 . . . . . 504 GLY CA . 53110 1 721 . 1 . 1 177 177 GLY N N 15 109.645094 0.0137389726 . 1 . . . . . 504 GLY N . 53110 1 722 . 1 . 1 178 178 PRO C C 13 176.7253246 . . 1 . . . . . 505 PRO C . 53110 1 723 . 1 . 1 178 178 PRO CA C 13 63.38851308 . . 1 . . . . . 505 PRO CA . 53110 1 724 . 1 . 1 179 179 TRP H H 1 8.008014367 0.0008766888 . 1 . . . . . 506 TRP H . 53110 1 725 . 1 . 1 179 179 TRP C C 13 176.361928 . . 1 . . . . . 506 TRP C . 53110 1 726 . 1 . 1 179 179 TRP CA C 13 57.78481696 0.0203568427 . 1 . . . . . 506 TRP CA . 53110 1 727 . 1 . 1 179 179 TRP N N 15 120.1948112 0.0004915005 . 1 . . . . . 506 TRP N . 53110 1 728 . 1 . 1 180 180 MET H H 1 7.852914357 0.0028444418 . 1 . . . . . 507 MET H . 53110 1 729 . 1 . 1 180 180 MET C C 13 175.7479015 . . 1 . . . . . 507 MET C . 53110 1 730 . 1 . 1 180 180 MET CA C 13 55.38468105 . . 1 . . . . . 507 MET CA . 53110 1 731 . 1 . 1 180 180 MET N N 15 121.8786353 0.0166241535 . 1 . . . . . 507 MET N . 53110 1 732 . 1 . 1 181 181 ASP H H 1 8.224097787 0.0044241682 . 1 . . . . . 508 ASP H . 53110 1 733 . 1 . 1 181 181 ASP C C 13 176.3686131 . . 1 . . . . . 508 ASP C . 53110 1 734 . 1 . 1 181 181 ASP CA C 13 54.81470236 0.0181679239 . 1 . . . . . 508 ASP CA . 53110 1 735 . 1 . 1 181 181 ASP N N 15 121.1296096 0.0000038 . 1 . . . . . 508 ASP N . 53110 1 736 . 1 . 1 182 182 SER H H 1 8.159880019 0.0043415097 . 1 . . . . . 509 SER H . 53110 1 737 . 1 . 1 182 182 SER C C 13 174.1968659 . . 1 . . . . . 509 SER C . 53110 1 738 . 1 . 1 182 182 SER CA C 13 58.51321318 0.020825089 . 1 . . . . . 509 SER CA . 53110 1 739 . 1 . 1 182 182 SER N N 15 115.0357249 0.010370258 . 1 . . . . . 509 SER N . 53110 1 740 . 1 . 1 183 183 TYR H H 1 8.256764472 0.0031958058 . 1 . . . . . 510 TYR H . 53110 1 741 . 1 . 1 183 183 TYR C C 13 175.7964549 . . 1 . . . . . 510 TYR C . 53110 1 742 . 1 . 1 183 183 TYR CA C 13 58.31085385 0.0114695728 . 1 . . . . . 510 TYR CA . 53110 1 743 . 1 . 1 183 183 TYR N N 15 122.4592519 0.0004899102 . 1 . . . . . 510 TYR N . 53110 1 744 . 1 . 1 184 184 SER H H 1 8.277331539 0.0015633968 . 1 . . . . . 511 SER H . 53110 1 745 . 1 . 1 184 184 SER C C 13 174.1605217 . . 1 . . . . . 511 SER C . 53110 1 746 . 1 . 1 184 184 SER CA C 13 58.00942565 0.0661233532 . 1 . . . . . 511 SER CA . 53110 1 747 . 1 . 1 184 184 SER N N 15 118.3374534 0.0023364752 . 1 . . . . . 511 SER N . 53110 1 748 . 1 . 1 185 185 GLY H H 1 7.43067427 0.002952127 . 1 . . . . . 512 GLY H . 53110 1 749 . 1 . 1 185 185 GLY CA C 13 44.8037335 . . 1 . . . . . 512 GLY CA . 53110 1 750 . 1 . 1 185 185 GLY N N 15 109.988902 0.0170716511 . 1 . . . . . 512 GLY N . 53110 1 751 . 1 . 1 186 186 PRO C C 13 177.1008136 . . 1 . . . . . 513 PRO C . 53110 1 752 . 1 . 1 186 186 PRO CA C 13 63.69858163 . . 1 . . . . . 513 PRO CA . 53110 1 753 . 1 . 1 187 187 TYR H H 1 8.379832763 0.0020145411 . 1 . . . . . 514 TYR H . 53110 1 754 . 1 . 1 187 187 TYR C C 13 176.4539596 0.0145635793 . 1 . . . . . 514 TYR C . 53110 1 755 . 1 . 1 187 187 TYR CA C 13 57.85625333 0.0621225691 . 1 . . . . . 514 TYR CA . 53110 1 756 . 1 . 1 187 187 TYR N N 15 119.4751743 0.0054666913 . 1 . . . . . 514 TYR N . 53110 1 757 . 1 . 1 188 188 GLY H H 1 8.117584435 0.0019443347 . 1 . . . . . 515 GLY H . 53110 1 758 . 1 . 1 188 188 GLY C C 13 173.7528353 . . 1 . . . . . 515 GLY C . 53110 1 759 . 1 . 1 188 188 GLY CA C 13 45.50816827 0.0172811197 . 1 . . . . . 515 GLY CA . 53110 1 760 . 1 . 1 188 188 GLY N N 15 109.7306102 0.0497618478 . 1 . . . . . 515 GLY N . 53110 1 761 . 1 . 1 189 189 ASP H H 1 8.276767236 0.000747629 . 1 . . . . . 516 ASP H . 53110 1 762 . 1 . 1 189 189 ASP C C 13 176.6110261 . . 1 . . . . . 516 ASP C . 53110 1 763 . 1 . 1 189 189 ASP CA C 13 54.256692 0.0529975099 . 1 . . . . . 516 ASP CA . 53110 1 764 . 1 . 1 189 189 ASP CB C 13 40.80121266 . . 1 . . . . . 516 ASP CB . 53110 1 765 . 1 . 1 189 189 ASP N N 15 120.3502983 0.0299598713 . 1 . . . . . 516 ASP N . 53110 1 766 . 1 . 1 190 190 MET H H 1 8.448901502 0.0059816557 . 1 . . . . . 517 MET H . 53110 1 767 . 1 . 1 190 190 MET C C 13 176.4612348 0.0061598857 . 1 . . . . . 517 MET C . 53110 1 768 . 1 . 1 190 190 MET CA C 13 55.86655249 0.0087925396 . 1 . . . . . 517 MET CA . 53110 1 769 . 1 . 1 190 190 MET CB C 13 30.1845731 . . 1 . . . . . 517 MET CB . 53110 1 770 . 1 . 1 190 190 MET N N 15 121.4349938 0.02262803 . 1 . . . . . 517 MET N . 53110 1 771 . 1 . 1 191 191 ARG H H 1 8.376008987 0.0014548353 . 1 . . . . . 518 ARG H . 53110 1 772 . 1 . 1 191 191 ARG C C 13 176.4843312 0.0130935241 . 1 . . . . . 518 ARG C . 53110 1 773 . 1 . 1 191 191 ARG CA C 13 56.46586734 0.0169516692 . 1 . . . . . 518 ARG CA . 53110 1 774 . 1 . 1 191 191 ARG N N 15 121.5338036 0.0327864779 . 1 . . . . . 518 ARG N . 53110 1 775 . 1 . 1 192 192 LEU H H 1 8.291997932 0.0123798419 . 1 . . . . . 519 LEU H . 53110 1 776 . 1 . 1 192 192 LEU C C 13 177.6799825 . . 1 . . . . . 519 LEU C . 53110 1 777 . 1 . 1 192 192 LEU CA C 13 55.27349731 0.0120395746 . 1 . . . . . 519 LEU CA . 53110 1 778 . 1 . 1 192 192 LEU CB C 13 41.89049683 . . 1 . . . . . 519 LEU CB . 53110 1 779 . 1 . 1 192 192 LEU N N 15 122.545966 0.0154320084 . 1 . . . . . 519 LEU N . 53110 1 780 . 1 . 1 193 193 GLU H H 1 8.556891012 0.0024083821 . 1 . . . . . 520 GLU H . 53110 1 781 . 1 . 1 193 193 GLU C C 13 176.8125788 0.0027806703 . 1 . . . . . 520 GLU C . 53110 1 782 . 1 . 1 193 193 GLU CA C 13 57.06207614 . . 1 . . . . . 520 GLU CA . 53110 1 783 . 1 . 1 193 193 GLU N N 15 121.6198651 0.0243281699 . 1 . . . . . 520 GLU N . 53110 1 784 . 1 . 1 194 194 THR H H 1 8.148430369 0.0015954448 . 1 . . . . . 521 THR H . 53110 1 785 . 1 . 1 194 194 THR C C 13 174.5075421 0.0081761658 . 1 . . . . . 521 THR C . 53110 1 786 . 1 . 1 194 194 THR CA C 13 62.05303901 0.0163350328 . 1 . . . . . 521 THR CA . 53110 1 787 . 1 . 1 194 194 THR N N 15 114.5897246 0.0073027648 . 1 . . . . . 521 THR N . 53110 1 788 . 1 . 1 195 195 ALA H H 1 8.349889471 0.0011499444 . 1 . . . . . 522 ALA H . 53110 1 789 . 1 . 1 195 195 ALA C C 13 177.859096 0.0187905753 . 1 . . . . . 522 ALA C . 53110 1 790 . 1 . 1 195 195 ALA CA C 13 52.847847 0.0049471486 . 1 . . . . . 522 ALA CA . 53110 1 791 . 1 . 1 195 195 ALA CB C 13 19.23414669 . . 1 . . . . . 522 ALA CB . 53110 1 792 . 1 . 1 195 195 ALA N N 15 126.3140545 0.0315421189 . 1 . . . . . 522 ALA N . 53110 1 793 . 1 . 1 196 196 ARG H H 1 8.316633229 0.0028715973 . 1 . . . . . 523 ARG H . 53110 1 794 . 1 . 1 196 196 ARG C C 13 176.1138096 0.0166831653 . 1 . . . . . 523 ARG C . 53110 1 795 . 1 . 1 196 196 ARG CA C 13 56.2724127 0.0204450588 . 1 . . . . . 523 ARG CA . 53110 1 796 . 1 . 1 196 196 ARG N N 15 120.0713498 0.0522947717 . 1 . . . . . 523 ARG N . 53110 1 797 . 1 . 1 197 197 ASP H H 1 8.319425393 0.0022497133 . 1 . . . . . 524 ASP H . 53110 1 798 . 1 . 1 197 197 ASP C C 13 175.8012219 0.0027297244 . 1 . . . . . 524 ASP C . 53110 1 799 . 1 . 1 197 197 ASP CA C 13 54.36561578 . . 1 . . . . . 524 ASP CA . 53110 1 800 . 1 . 1 197 197 ASP N N 15 120.2339806 0.0365865006 . 1 . . . . . 524 ASP N . 53110 1 801 . 1 . 1 198 198 HIS H H 1 8.222836818 0.0028663137 . 1 . . . . . 525 HIS H . 53110 1 802 . 1 . 1 198 198 HIS C C 13 174.7013831 0.0090033529 . 1 . . . . . 525 HIS C . 53110 1 803 . 1 . 1 198 198 HIS CA C 13 56.04416054 0.0229872783 . 1 . . . . . 525 HIS CA . 53110 1 804 . 1 . 1 198 198 HIS N N 15 119.2451624 0.0036613796 . 1 . . . . . 525 HIS N . 53110 1 805 . 1 . 1 199 199 VAL H H 1 8.149285215 0.0029788263 . 1 . . . . . 526 VAL H . 53110 1 806 . 1 . 1 199 199 VAL C C 13 175.8210731 0.0146906058 . 1 . . . . . 526 VAL C . 53110 1 807 . 1 . 1 199 199 VAL CA C 13 62.23215416 0.0110615912 . 1 . . . . . 526 VAL CA . 53110 1 808 . 1 . 1 199 199 VAL CB C 13 32.75036653 . . 1 . . . . . 526 VAL CB . 53110 1 809 . 1 . 1 199 199 VAL N N 15 121.9656669 0.0339132182 . 1 . . . . . 526 VAL N . 53110 1 810 . 1 . 1 200 200 LEU H H 1 8.456234151 0.0019639158 . 1 . . . . . 527 LEU H . 53110 1 811 . 1 . 1 200 200 LEU C C 13 174.9985582 . . 1 . . . . . 527 LEU C . 53110 1 812 . 1 . 1 200 200 LEU CA C 13 52.87499456 . . 1 . . . . . 527 LEU CA . 53110 1 813 . 1 . 1 200 200 LEU CB C 13 41.72636715 . . 1 . . . . . 527 LEU CB . 53110 1 814 . 1 . 1 200 200 LEU N N 15 127.7710871 0.0281213058 . 1 . . . . . 527 LEU N . 53110 1 815 . 1 . 1 201 201 PRO C C 13 177.1334469 . . 1 . . . . . 528 PRO C . 53110 1 816 . 1 . 1 201 201 PRO CA C 13 62.75752591 . . 1 . . . . . 528 PRO CA . 53110 1 817 . 1 . 1 202 202 ILE H H 1 8.31532243 0.0051192062 . 1 . . . . . 529 ILE H . 53110 1 818 . 1 . 1 202 202 ILE C C 13 175.8371286 0.0021787641 . 1 . . . . . 529 ILE C . 53110 1 819 . 1 . 1 202 202 ILE CA C 13 61.99240474 0.009028092 . 1 . . . . . 529 ILE CA . 53110 1 820 . 1 . 1 202 202 ILE CB C 13 41.09356367 . . 1 . . . . . 529 ILE CB . 53110 1 821 . 1 . 1 202 202 ILE N N 15 120.5805622 0.0516858341 . 1 . . . . . 529 ILE N . 53110 1 822 . 1 . 1 203 203 ASP H H 1 8.31473132 0.004045539 . 1 . . . . . 530 ASP H . 53110 1 823 . 1 . 1 203 203 ASP C C 13 175.8135846 0.0114584404 . 1 . . . . . 530 ASP C . 53110 1 824 . 1 . 1 203 203 ASP CA C 13 53.90657506 0.0629907601 . 1 . . . . . 530 ASP CA . 53110 1 825 . 1 . 1 203 203 ASP N N 15 122.0191817 0.0222138316 . 1 . . . . . 530 ASP N . 53110 1 826 . 1 . 1 204 204 TYR H H 1 7.958704812 0.0012854818 . 1 . . . . . 531 TYR H . 53110 1 827 . 1 . 1 204 204 TYR C C 13 175.14003 0.0121485271 . 1 . . . . . 531 TYR C . 53110 1 828 . 1 . 1 204 204 TYR CA C 13 58.85550576 . . 1 . . . . . 531 TYR CA . 53110 1 829 . 1 . 1 204 204 TYR N N 15 120.5964697 0.0333005895 . 1 . . . . . 531 TYR N . 53110 1 830 . 1 . 1 205 205 TYR H H 1 7.995117068 0.0023723188 . 1 . . . . . 532 TYR H . 53110 1 831 . 1 . 1 205 205 TYR C C 13 174.3123997 0.0064166077 . 1 . . . . . 532 TYR C . 53110 1 832 . 1 . 1 205 205 TYR CA C 13 57.84762656 0.0408545798 . 1 . . . . . 532 TYR CA . 53110 1 833 . 1 . 1 205 205 TYR N N 15 121.1088657 0.0213293604 . 1 . . . . . 532 TYR N . 53110 1 834 . 1 . 1 206 206 PHE H H 1 7.955745217 0.0021850399 . 1 . . . . . 533 PHE H . 53110 1 835 . 1 . 1 206 206 PHE C C 13 179.46841 . . 1 . . . . . 533 PHE C . 53110 1 836 . 1 . 1 206 206 PHE CA C 13 55.00596351 . . 1 . . . . . 533 PHE CA . 53110 1 837 . 1 . 1 206 206 PHE CB C 13 39.27944712 . . 1 . . . . . 533 PHE CB . 53110 1 838 . 1 . 1 206 206 PHE N N 15 123.8380207 0.0358575611 . 1 . . . . . 533 PHE N . 53110 1 839 . 1 . 1 208 208 PRO C C 13 176.958604 0.0017320227 . 1 . . . . . 535 PRO C . 53110 1 840 . 1 . 1 208 208 PRO CA C 13 62.79744748 . . 1 . . . . . 535 PRO CA . 53110 1 841 . 1 . 1 208 208 PRO CB C 13 32.22017319 . . 1 . . . . . 535 PRO CB . 53110 1 842 . 1 . 1 209 209 GLN H H 1 8.628836593 0.0023823189 . 1 . . . . . 536 GLN H . 53110 1 843 . 1 . 1 209 209 GLN C C 13 175.9161574 0.0065610439 . 1 . . . . . 536 GLN C . 53110 1 844 . 1 . 1 209 209 GLN CA C 13 55.56328762 0.0269724616 . 1 . . . . . 536 GLN CA . 53110 1 845 . 1 . 1 209 209 GLN CB C 13 29.74880712 0.0551580659 . 1 . . . . . 536 GLN CB . 53110 1 846 . 1 . 1 209 209 GLN N N 15 121.154904 0.0155531698 . 1 . . . . . 536 GLN N . 53110 1 847 . 1 . 1 210 210 LYS H H 1 8.590645216 0.0033428898 . 1 . . . . . 537 LYS H . 53110 1 848 . 1 . 1 210 210 LYS C C 13 175.9735628 0.0087264195 . 1 . . . . . 537 LYS C . 53110 1 849 . 1 . 1 210 210 LYS CA C 13 56.42391041 0.0178620934 . 1 . . . . . 537 LYS CA . 53110 1 850 . 1 . 1 210 210 LYS CB C 13 33.097254 . . 1 . . . . . 537 LYS CB . 53110 1 851 . 1 . 1 210 210 LYS N N 15 124.2520834 0.018927563 . 1 . . . . . 537 LYS N . 53110 1 852 . 1 . 1 211 211 THR H H 1 8.000082781 0.0008875013 . 1 . . . . . 538 THR H . 53110 1 853 . 1 . 1 211 211 THR C C 13 179.2827477 . . 1 . . . . . 538 THR C . 53110 1 854 . 1 . 1 211 211 THR CA C 13 63.28850024 . . 1 . . . . . 538 THR CA . 53110 1 855 . 1 . 1 211 211 THR CB C 13 70.69122154 . . 1 . . . . . 538 THR CB . 53110 1 856 . 1 . 1 211 211 THR N N 15 121.6339808 0.0150862369 . 1 . . . . . 538 THR N . 53110 1 stop_ save_