data_17139 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17139 _Entry.Title ; Structure of ARC92VBD/MED25ACID ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-21 _Entry.Accession_date 2010-08-21 _Entry.Last_release_date 2011-06-07 _Entry.Original_release_date 2011-06-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 25 STRUCTURES' _Entry.Details 'Solution NMR structure of Activator-recruited cofactor 92 kDa component' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Milbradt . G. . 17139 2 Zhen-Yu Sun . J. . 17139 3 Philipp Selenko . . . 17139 4 Koh Takeuchi . . . 17139 5 Anders Naar . M. . 17139 6 Gerhard Wagner . . . 17139 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17139 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ACID . 17139 ARC . 17139 Mediator . 17139 'VP16 binding domain' . 17139 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17139 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 584 17139 '15N chemical shifts' 156 17139 '1H chemical shifts' 1052 17139 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 . . 2011-06-07 2010-08-21 original author . 17139 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17139 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21378963 _Citation.Full_citation . _Citation.Title 'Structure of the VP16 transactivator target in the Mediator' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 4 _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 410 _Citation.Page_last 415 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Milbradt . G. . 17139 1 2 Madhura Kulkarni . . . 17139 1 3 Tingfang Yi . . . 17139 1 4 Koh Takeuchi . . . 17139 1 5 Zhen-Yu Sun . J. . 17139 1 6 Rafael Luna . . . 17139 1 7 Philipp Selenko . . . 17139 1 8 Anders Naar . M. . 17139 1 9 Gerhard Wagner . . . 17139 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ACID 17139 1 ARC 17139 1 ARC92 17139 1 MED25 17139 1 Mediator 17139 1 'TRANSCRIPTION REGULATOR' 17139 1 'VP16 binding domain' 17139 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17139 _Assembly.ID 1 _Assembly.Name ARC92VBD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ARC92VBD 1 $ARC92VBD A . yes native no no . . . 17139 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARC92VBD _Entity.Sf_category entity _Entity.Sf_framecode ARC92VBD _Entity.Entry_ID 17139 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ARC92VBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEFGQQSVSNKLLAWSGVLE WQEKPKPASVDANTKLTRSL PCQVYVNHGENLKTEQWPQK LIMQLIPQQLLTTLGPLFRN SRMVQFHFTNKDLESLKGLY RIMGNGFAGCVHFPHTAPCE VRVLMLLYSSKKKIFMGLIP YDQSGFVNGIRQVITNHKQV QQQKLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 388-390 represent a cloning site and are not part of the natural sequence ; _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 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment ; VP16-binding-domain (VBD) Activator-interacting domain (ACID) ; _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 37940.359 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17323 . HR6188A . . . . . 92.17 163 100.00 100.00 1.16e-108 . . . . 17139 1 2 no PDB 2KY6 . "Structure Of Arc92vbdMED25ACID" . . . . . 100.00 166 100.00 100.00 1.26e-118 . . . . 17139 1 3 no PDB 2L23 . "Nmr Structure Of The Acid (Activator Interacting Domain) Of The Human Mediator Med25 Protein" . . . . . 95.78 167 99.37 99.37 1.94e-112 . . . . 17139 1 4 no PDB 2L6U . "Solution Nmr Structure Of Med25(391-543) Comprising The Activator- Interacting Domain (Acid) Of Human Mediator Subuniti 25. Nor" . . . . . 92.17 163 100.00 100.00 1.16e-108 . . . . 17139 1 5 no PDB 2XNF . "The Mediator Med25 Activator Interaction Domain: Structure And Cooperative Binding Of Vp16 Subdomains" . . . . . 90.36 159 100.00 100.00 2.54e-106 . . . . 17139 1 6 no DBJ BAE29135 . "unnamed protein product [Mus musculus]" . . . . . 79.52 599 100.00 100.00 5.57e-88 . . . . 17139 1 7 no DBJ BAF82149 . "unnamed protein product [Homo sapiens]" . . . . . 98.19 747 100.00 100.00 2.75e-112 . . . . 17139 1 8 no DBJ BAG51583 . "unnamed protein product [Homo sapiens]" . . . . . 98.19 724 100.00 100.00 6.12e-112 . . . . 17139 1 9 no DBJ BAG61008 . "unnamed protein product [Homo sapiens]" . . . . . 98.19 726 100.00 100.00 3.17e-112 . . . . 17139 1 10 no EMBL CAB66680 . "hypothetical protein [Homo sapiens]" . . . . . 98.19 715 100.00 100.00 8.50e-112 . . . . 17139 1 11 no EMBL CAE84581 . "activator interaction domain 1 protein [Homo sapiens]" . . . . . 98.19 754 100.00 100.00 1.66e-111 . . . . 17139 1 12 no GB AAG15589 . "similar to GenBank Accession Number AC021163 [Homo sapiens]" . . . . . 98.19 574 100.00 100.00 1.13e-114 . . . . 17139 1 13 no GB AAH21333 . "Mediator of RNA polymerase II transcription, subunit 25 homolog (yeast) [Mus musculus]" . . . . . 98.19 745 100.00 100.00 2.51e-112 . . . . 17139 1 14 no GB AAH24312 . "MED25 protein, partial [Homo sapiens]" . . . . . 98.19 576 100.00 100.00 1.10e-115 . . . . 17139 1 15 no GB AAH31138 . "Med25 protein [Mus musculus]" . . . . . 98.19 745 100.00 100.00 2.51e-112 . . . . 17139 1 16 no GB AAH65297 . "Mediator complex subunit 25 [Homo sapiens]" . . . . . 98.19 747 100.00 100.00 2.75e-112 . . . . 17139 1 17 no REF NP_001075914 . "mediator of RNA polymerase II transcription subunit 25 [Bos taurus]" . . . . . 98.19 746 99.39 100.00 7.25e-112 . . . . 17139 1 18 no REF NP_001163897 . "mediator of RNA polymerase II transcription subunit 25 [Rattus norvegicus]" . . . . . 98.19 746 100.00 100.00 3.74e-112 . . . . 17139 1 19 no REF NP_083641 . "mediator of RNA polymerase II transcription subunit 25 [Mus musculus]" . . . . . 98.19 745 100.00 100.00 2.51e-112 . . . . 17139 1 20 no REF NP_112235 . "mediator of RNA polymerase II transcription subunit 25 [Homo sapiens]" . . . . . 98.19 747 100.00 100.00 2.75e-112 . . . . 17139 1 21 no REF XP_001115473 . "PREDICTED: mediator of RNA polymerase II transcription subunit 25-like isoform 1 [Macaca mulatta]" . . . . . 98.19 726 100.00 100.00 3.56e-112 . . . . 17139 1 22 no SP A2VE44 . "RecName: Full=Mediator of RNA polymerase II transcription subunit 25; AltName: Full=Mediator complex subunit 25" . . . . . 98.19 746 99.39 100.00 7.25e-112 . . . . 17139 1 23 no SP Q71SY5 . "RecName: Full=Mediator of RNA polymerase II transcription subunit 25; AltName: Full=Activator interaction domain-containing pro" . . . . . 98.19 747 100.00 100.00 2.75e-112 . . . . 17139 1 24 no SP Q8VCB2 . "RecName: Full=Mediator of RNA polymerase II transcription subunit 25; AltName: Full=Mediator complex subunit 25; Short=mMED25" . . . . . 98.19 745 100.00 100.00 2.51e-112 . . . . 17139 1 25 no TPG DAA19611 . "TPA: mediator of RNA polymerase II transcription subunit 25 [Bos taurus]" . . . . . 98.19 653 99.39 100.00 1.34e-112 . . . . 17139 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 388 GLY . 17139 1 2 389 GLU . 17139 1 3 390 PHE . 17139 1 4 391 GLY . 17139 1 5 392 GLN . 17139 1 6 393 GLN . 17139 1 7 394 SER . 17139 1 8 395 VAL . 17139 1 9 396 SER . 17139 1 10 397 ASN . 17139 1 11 398 LYS . 17139 1 12 399 LEU . 17139 1 13 400 LEU . 17139 1 14 401 ALA . 17139 1 15 402 TRP . 17139 1 16 403 SER . 17139 1 17 404 GLY . 17139 1 18 405 VAL . 17139 1 19 406 LEU . 17139 1 20 407 GLU . 17139 1 21 408 TRP . 17139 1 22 409 GLN . 17139 1 23 410 GLU . 17139 1 24 411 LYS . 17139 1 25 412 PRO . 17139 1 26 413 LYS . 17139 1 27 414 PRO . 17139 1 28 415 ALA . 17139 1 29 416 SER . 17139 1 30 417 VAL . 17139 1 31 418 ASP . 17139 1 32 419 ALA . 17139 1 33 420 ASN . 17139 1 34 421 THR . 17139 1 35 422 LYS . 17139 1 36 423 LEU . 17139 1 37 424 THR . 17139 1 38 425 ARG . 17139 1 39 426 SER . 17139 1 40 427 LEU . 17139 1 41 428 PRO . 17139 1 42 429 CYS . 17139 1 43 430 GLN . 17139 1 44 431 VAL . 17139 1 45 432 TYR . 17139 1 46 433 VAL . 17139 1 47 434 ASN . 17139 1 48 435 HIS . 17139 1 49 436 GLY . 17139 1 50 437 GLU . 17139 1 51 438 ASN . 17139 1 52 439 LEU . 17139 1 53 440 LYS . 17139 1 54 441 THR . 17139 1 55 442 GLU . 17139 1 56 443 GLN . 17139 1 57 444 TRP . 17139 1 58 445 PRO . 17139 1 59 446 GLN . 17139 1 60 447 LYS . 17139 1 61 448 LEU . 17139 1 62 449 ILE . 17139 1 63 450 MET . 17139 1 64 451 GLN . 17139 1 65 452 LEU . 17139 1 66 453 ILE . 17139 1 67 454 PRO . 17139 1 68 455 GLN . 17139 1 69 456 GLN . 17139 1 70 457 LEU . 17139 1 71 458 LEU . 17139 1 72 459 THR . 17139 1 73 460 THR . 17139 1 74 461 LEU . 17139 1 75 462 GLY . 17139 1 76 463 PRO . 17139 1 77 464 LEU . 17139 1 78 465 PHE . 17139 1 79 466 ARG . 17139 1 80 467 ASN . 17139 1 81 468 SER . 17139 1 82 469 ARG . 17139 1 83 470 MET . 17139 1 84 471 VAL . 17139 1 85 472 GLN . 17139 1 86 473 PHE . 17139 1 87 474 HIS . 17139 1 88 475 PHE . 17139 1 89 476 THR . 17139 1 90 477 ASN . 17139 1 91 478 LYS . 17139 1 92 479 ASP . 17139 1 93 480 LEU . 17139 1 94 481 GLU . 17139 1 95 482 SER . 17139 1 96 483 LEU . 17139 1 97 484 LYS . 17139 1 98 485 GLY . 17139 1 99 486 LEU . 17139 1 100 487 TYR . 17139 1 101 488 ARG . 17139 1 102 489 ILE . 17139 1 103 490 MET . 17139 1 104 491 GLY . 17139 1 105 492 ASN . 17139 1 106 493 GLY . 17139 1 107 494 PHE . 17139 1 108 495 ALA . 17139 1 109 496 GLY . 17139 1 110 497 CYS . 17139 1 111 498 VAL . 17139 1 112 499 HIS . 17139 1 113 500 PHE . 17139 1 114 501 PRO . 17139 1 115 502 HIS . 17139 1 116 503 THR . 17139 1 117 504 ALA . 17139 1 118 505 PRO . 17139 1 119 506 CYS . 17139 1 120 507 GLU . 17139 1 121 508 VAL . 17139 1 122 509 ARG . 17139 1 123 510 VAL . 17139 1 124 511 LEU . 17139 1 125 512 MET . 17139 1 126 513 LEU . 17139 1 127 514 LEU . 17139 1 128 515 TYR . 17139 1 129 516 SER . 17139 1 130 517 SER . 17139 1 131 518 LYS . 17139 1 132 519 LYS . 17139 1 133 520 LYS . 17139 1 134 521 ILE . 17139 1 135 522 PHE . 17139 1 136 523 MET . 17139 1 137 524 GLY . 17139 1 138 525 LEU . 17139 1 139 526 ILE . 17139 1 140 527 PRO . 17139 1 141 528 TYR . 17139 1 142 529 ASP . 17139 1 143 530 GLN . 17139 1 144 531 SER . 17139 1 145 532 GLY . 17139 1 146 533 PHE . 17139 1 147 534 VAL . 17139 1 148 535 ASN . 17139 1 149 536 GLY . 17139 1 150 537 ILE . 17139 1 151 538 ARG . 17139 1 152 539 GLN . 17139 1 153 540 VAL . 17139 1 154 541 ILE . 17139 1 155 542 THR . 17139 1 156 543 ASN . 17139 1 157 544 HIS . 17139 1 158 545 LYS . 17139 1 159 546 GLN . 17139 1 160 547 VAL . 17139 1 161 548 GLN . 17139 1 162 549 GLN . 17139 1 163 550 GLN . 17139 1 164 551 LYS . 17139 1 165 552 LEU . 17139 1 166 553 GLU . 17139 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 17139 1 . GLU 2 2 17139 1 . PHE 3 3 17139 1 . GLY 4 4 17139 1 . GLN 5 5 17139 1 . GLN 6 6 17139 1 . SER 7 7 17139 1 . VAL 8 8 17139 1 . SER 9 9 17139 1 . ASN 10 10 17139 1 . LYS 11 11 17139 1 . LEU 12 12 17139 1 . LEU 13 13 17139 1 . ALA 14 14 17139 1 . TRP 15 15 17139 1 . SER 16 16 17139 1 . GLY 17 17 17139 1 . VAL 18 18 17139 1 . LEU 19 19 17139 1 . GLU 20 20 17139 1 . TRP 21 21 17139 1 . GLN 22 22 17139 1 . GLU 23 23 17139 1 . LYS 24 24 17139 1 . PRO 25 25 17139 1 . LYS 26 26 17139 1 . PRO 27 27 17139 1 . ALA 28 28 17139 1 . SER 29 29 17139 1 . VAL 30 30 17139 1 . ASP 31 31 17139 1 . ALA 32 32 17139 1 . ASN 33 33 17139 1 . THR 34 34 17139 1 . LYS 35 35 17139 1 . LEU 36 36 17139 1 . THR 37 37 17139 1 . ARG 38 38 17139 1 . SER 39 39 17139 1 . LEU 40 40 17139 1 . PRO 41 41 17139 1 . CYS 42 42 17139 1 . GLN 43 43 17139 1 . VAL 44 44 17139 1 . TYR 45 45 17139 1 . VAL 46 46 17139 1 . ASN 47 47 17139 1 . HIS 48 48 17139 1 . GLY 49 49 17139 1 . GLU 50 50 17139 1 . ASN 51 51 17139 1 . LEU 52 52 17139 1 . LYS 53 53 17139 1 . THR 54 54 17139 1 . GLU 55 55 17139 1 . GLN 56 56 17139 1 . TRP 57 57 17139 1 . PRO 58 58 17139 1 . GLN 59 59 17139 1 . LYS 60 60 17139 1 . LEU 61 61 17139 1 . ILE 62 62 17139 1 . MET 63 63 17139 1 . GLN 64 64 17139 1 . LEU 65 65 17139 1 . ILE 66 66 17139 1 . PRO 67 67 17139 1 . GLN 68 68 17139 1 . GLN 69 69 17139 1 . LEU 70 70 17139 1 . LEU 71 71 17139 1 . THR 72 72 17139 1 . THR 73 73 17139 1 . LEU 74 74 17139 1 . GLY 75 75 17139 1 . PRO 76 76 17139 1 . LEU 77 77 17139 1 . PHE 78 78 17139 1 . ARG 79 79 17139 1 . ASN 80 80 17139 1 . SER 81 81 17139 1 . ARG 82 82 17139 1 . MET 83 83 17139 1 . VAL 84 84 17139 1 . GLN 85 85 17139 1 . PHE 86 86 17139 1 . HIS 87 87 17139 1 . PHE 88 88 17139 1 . THR 89 89 17139 1 . ASN 90 90 17139 1 . LYS 91 91 17139 1 . ASP 92 92 17139 1 . LEU 93 93 17139 1 . GLU 94 94 17139 1 . SER 95 95 17139 1 . LEU 96 96 17139 1 . LYS 97 97 17139 1 . GLY 98 98 17139 1 . LEU 99 99 17139 1 . TYR 100 100 17139 1 . ARG 101 101 17139 1 . ILE 102 102 17139 1 . MET 103 103 17139 1 . GLY 104 104 17139 1 . ASN 105 105 17139 1 . GLY 106 106 17139 1 . PHE 107 107 17139 1 . ALA 108 108 17139 1 . GLY 109 109 17139 1 . CYS 110 110 17139 1 . VAL 111 111 17139 1 . HIS 112 112 17139 1 . PHE 113 113 17139 1 . PRO 114 114 17139 1 . HIS 115 115 17139 1 . THR 116 116 17139 1 . ALA 117 117 17139 1 . PRO 118 118 17139 1 . CYS 119 119 17139 1 . GLU 120 120 17139 1 . VAL 121 121 17139 1 . ARG 122 122 17139 1 . VAL 123 123 17139 1 . LEU 124 124 17139 1 . MET 125 125 17139 1 . LEU 126 126 17139 1 . LEU 127 127 17139 1 . TYR 128 128 17139 1 . SER 129 129 17139 1 . SER 130 130 17139 1 . LYS 131 131 17139 1 . LYS 132 132 17139 1 . LYS 133 133 17139 1 . ILE 134 134 17139 1 . PHE 135 135 17139 1 . MET 136 136 17139 1 . GLY 137 137 17139 1 . LEU 138 138 17139 1 . ILE 139 139 17139 1 . PRO 140 140 17139 1 . TYR 141 141 17139 1 . ASP 142 142 17139 1 . GLN 143 143 17139 1 . SER 144 144 17139 1 . GLY 145 145 17139 1 . PHE 146 146 17139 1 . VAL 147 147 17139 1 . ASN 148 148 17139 1 . GLY 149 149 17139 1 . ILE 150 150 17139 1 . ARG 151 151 17139 1 . GLN 152 152 17139 1 . VAL 153 153 17139 1 . ILE 154 154 17139 1 . THR 155 155 17139 1 . ASN 156 156 17139 1 . HIS 157 157 17139 1 . LYS 158 158 17139 1 . GLN 159 159 17139 1 . VAL 160 160 17139 1 . GLN 161 161 17139 1 . GLN 162 162 17139 1 . GLN 163 163 17139 1 . LYS 164 164 17139 1 . LEU 165 165 17139 1 . GLU 166 166 17139 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17139 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ARC92VBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17139 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17139 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ARC92VBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . p-his-parallel . . . His-GB1-TEV-tag . . 17139 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_n15 _Sample.Sf_category sample _Sample.Sf_framecode n15 _Sample.Entry_ID 17139 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ARC92VBD '[U-99% 15N]' . . 1 $ARC92VBD . . . 50 1000 uM . . . . 17139 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17139 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17139 1 stop_ save_ save_D20 _Sample.Sf_category sample _Sample.Sf_framecode D20 _Sample.Entry_ID 17139 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ARC92VBD 'natural abundance' . . 1 $ARC92VBD . . 1.0 . . mM . . . . 17139 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17139 2 stop_ save_ save_n15_c13 _Sample.Sf_category sample _Sample.Sf_framecode n15_c13 _Sample.Entry_ID 17139 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ARC92VBD '[U-99% 13C; U-99% 15N]' . . 1 $ARC92VBD . . 200-1000 . . uM . . . . 17139 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17139 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17139 3 stop_ save_ save_n15_c13_d2 _Sample.Sf_category sample _Sample.Sf_framecode n15_c13_d2 _Sample.Entry_ID 17139 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ARC92VBD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $ARC92VBD . . 700 . . uM . . . . 17139 4 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17139 4 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17139 4 stop_ save_ save_ILV _Sample.Sf_category sample _Sample.Sf_framecode ILV _Sample.Entry_ID 17139 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ARC92VBD '[ILV-100% 13C1H; U-100% 15N; U-100% 2H]' . . 1 $ARC92VBD . . 700 . . uM . . . . 17139 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17139 5 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 17139 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 17139 1 pH 6.5 . pH 17139 1 pressure 1 . atm 17139 1 temperature 298 . K 17139 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17139 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17139 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17139 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17139 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17139 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17139 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17139 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17139 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17139 3 'peak picking' 17139 3 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 17139 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17139 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17139 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17139 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17139 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17139 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17139 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17139 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 17139 1 2 spectrometer_2 Varian Inova . 500 . . . 17139 1 3 spectrometer_3 Bruker Avance . 900 . . . 17139 1 4 spectrometer_4 Bruker Avance . 750 . . . 17139 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17139 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $n15 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17139 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $D20 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17139 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $n15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $n15_c13 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17139 1 6 '3D HNCO' no . . . . . . . . . . 4 $n15_c13_d2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 7 '3D HNCA' no . . . . . . . . . . 4 $n15_c13_d2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 8 '3D HN(CO)CA' no . . . . . . . . . . 4 $n15_c13_d2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 9 '3D HNCACB' no . . . . . . . . . . 4 $n15_c13_d2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $n15_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $n15_c13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17139 1 12 '4D HMQCNOESYHMQC' no . . . . . . . . . . 5 $ILV isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17139 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17139 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251462 . . . . . . . . . 17139 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000 . . . . . . . . . 17139 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101341 . . . . . . . . . 17139 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17139 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D HNCO' . . . 17139 1 7 '3D HNCA' . . . 17139 1 9 '3D HNCACB' . . . 17139 1 10 '3D HCCH-TOCSY' . . . 17139 1 11 '2D 1H-13C HSQC' . . . 17139 1 12 '4D HMQCNOESYHMQC' . . . 17139 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PHE H H 1 8.462 . . 1 . . . . 390 F HN . 17139 1 2 . 1 1 3 3 PHE HA H 1 4.564 . . 1 . . . . 390 F HA . 17139 1 3 . 1 1 3 3 PHE HB2 H 1 2.946 . . 2 . . . . 390 F HB2 . 17139 1 4 . 1 1 3 3 PHE HB3 H 1 3.057 . . 2 . . . . 390 F HB3 . 17139 1 5 . 1 1 3 3 PHE HD1 H 1 7.177 . . 3 . . . . 390 F QD . 17139 1 6 . 1 1 3 3 PHE HD2 H 1 7.177 . . 3 . . . . 390 F QD . 17139 1 7 . 1 1 3 3 PHE HE1 H 1 7.211 . . 3 . . . . 390 F QE . 17139 1 8 . 1 1 3 3 PHE HE2 H 1 7.211 . . 3 . . . . 390 F QE . 17139 1 9 . 1 1 3 3 PHE CA C 13 57.802 . . 1 . . . . 390 F CA . 17139 1 10 . 1 1 3 3 PHE CB C 13 38.341 . . 1 . . . . 390 F CB . 17139 1 11 . 1 1 3 3 PHE N N 15 120.777 . . 1 . . . . 390 F N . 17139 1 12 . 1 1 4 4 GLY H H 1 8.209 . . 1 . . . . 391 G HN . 17139 1 13 . 1 1 4 4 GLY HA2 H 1 3.920 . . 2 . . . . 391 G QA . 17139 1 14 . 1 1 4 4 GLY HA3 H 1 3.920 . . 2 . . . . 391 G QA . 17139 1 15 . 1 1 4 4 GLY C C 13 173.983 . . 1 . . . . 391 G C . 17139 1 16 . 1 1 4 4 GLY CA C 13 45.442 . . 1 . . . . 391 G CA . 17139 1 17 . 1 1 4 4 GLY N N 15 110.138 . . 1 . . . . 391 G N . 17139 1 18 . 1 1 5 5 GLN H H 1 8.296 . . 1 . . . . 392 Q HN . 17139 1 19 . 1 1 5 5 GLN HA H 1 4.441 . . 1 . . . . 392 Q HA . 17139 1 20 . 1 1 5 5 GLN HB2 H 1 2.037 . . 2 . . . . 392 Q HB2 . 17139 1 21 . 1 1 5 5 GLN HB3 H 1 2.197 . . 2 . . . . 392 Q HB3 . 17139 1 22 . 1 1 5 5 GLN HG2 H 1 2.361 . . 2 . . . . 392 Q HG2 . 17139 1 23 . 1 1 5 5 GLN HG3 H 1 2.455 . . 2 . . . . 392 Q HG3 . 17139 1 24 . 1 1 5 5 GLN C C 13 176.167 . . 1 . . . . 392 Q C . 17139 1 25 . 1 1 5 5 GLN CA C 13 55.850 . . 1 . . . . 392 Q CA . 17139 1 26 . 1 1 5 5 GLN CB C 13 29.874 . . 1 . . . . 392 Q CB . 17139 1 27 . 1 1 5 5 GLN CG C 13 34.586 . . 1 . . . . 392 Q CG . 17139 1 28 . 1 1 5 5 GLN N N 15 119.608 . . 1 . . . . 392 Q N . 17139 1 29 . 1 1 6 6 GLN H H 1 8.590 . . 1 . . . . 393 Q HN . 17139 1 30 . 1 1 6 6 GLN HA H 1 4.339 . . 1 . . . . 393 Q HA . 17139 1 31 . 1 1 6 6 GLN HB2 H 1 2.120 . . 2 . . . . 393 Q HB2 . 17139 1 32 . 1 1 6 6 GLN HB3 H 1 2.014 . . 2 . . . . 393 Q HB3 . 17139 1 33 . 1 1 6 6 GLN HG2 H 1 2.428 . . 2 . . . . 393 Q QG . 17139 1 34 . 1 1 6 6 GLN HG3 H 1 2.428 . . 2 . . . . 393 Q QG . 17139 1 35 . 1 1 6 6 GLN C C 13 176.027 . . 1 . . . . 393 Q C . 17139 1 36 . 1 1 6 6 GLN CA C 13 56.018 . . 1 . . . . 393 Q CA . 17139 1 37 . 1 1 6 6 GLN CB C 13 28.686 . . 1 . . . . 393 Q CB . 17139 1 38 . 1 1 6 6 GLN CG C 13 34.318 . . 1 . . . . 393 Q CG . 17139 1 39 . 1 1 6 6 GLN N N 15 121.336 . . 1 . . . . 393 Q N . 17139 1 40 . 1 1 7 7 SER H H 1 8.342 . . 1 . . . . 394 S HN . 17139 1 41 . 1 1 7 7 SER HA H 1 4.387 . . 1 . . . . 394 S HA . 17139 1 42 . 1 1 7 7 SER HB2 H 1 3.851 . . 2 . . . . 394 S HB2 . 17139 1 43 . 1 1 7 7 SER HB3 H 1 3.765 . . 2 . . . . 394 S HB3 . 17139 1 44 . 1 1 7 7 SER C C 13 175.019 . . 1 . . . . 394 S C . 17139 1 45 . 1 1 7 7 SER CA C 13 58.268 . . 1 . . . . 394 S CA . 17139 1 46 . 1 1 7 7 SER CB C 13 63.756 . . 1 . . . . 394 S CB . 17139 1 47 . 1 1 7 7 SER N N 15 116.450 . . 1 . . . . 394 S N . 17139 1 48 . 1 1 8 8 VAL H H 1 8.017 . . 1 . . . . 395 V HN . 17139 1 49 . 1 1 8 8 VAL HA H 1 3.886 . . 1 . . . . 395 V HA . 17139 1 50 . 1 1 8 8 VAL HB H 1 1.316 . . 1 . . . . 395 V HB . 17139 1 51 . 1 1 8 8 VAL HG11 H 1 0.304 . . 2 . . . . 395 V QG1 . 17139 1 52 . 1 1 8 8 VAL HG12 H 1 0.304 . . 2 . . . . 395 V QG1 . 17139 1 53 . 1 1 8 8 VAL HG13 H 1 0.304 . . 2 . . . . 395 V QG1 . 17139 1 54 . 1 1 8 8 VAL HG21 H 1 0.266 . . 2 . . . . 395 V QG2 . 17139 1 55 . 1 1 8 8 VAL HG22 H 1 0.266 . . 2 . . . . 395 V QG2 . 17139 1 56 . 1 1 8 8 VAL HG23 H 1 0.266 . . 2 . . . . 395 V QG2 . 17139 1 57 . 1 1 8 8 VAL C C 13 176.191 . . 1 . . . . 395 V C . 17139 1 58 . 1 1 8 8 VAL CA C 13 61.894 . . 1 . . . . 395 V CA . 17139 1 59 . 1 1 8 8 VAL CB C 13 31.215 . . 1 . . . . 395 V CB . 17139 1 60 . 1 1 8 8 VAL CG1 C 13 20.773 . . 2 . . . . 395 V CG1 . 17139 1 61 . 1 1 8 8 VAL CG2 C 13 18.631 . . 2 . . . . 395 V CG2 . 17139 1 62 . 1 1 8 8 VAL N N 15 119.702 . . 1 . . . . 395 V N . 17139 1 63 . 1 1 9 9 SER H H 1 8.085 . . 1 . . . . 396 S HN . 17139 1 64 . 1 1 9 9 SER HA H 1 4.234 . . 1 . . . . 396 S HA . 17139 1 65 . 1 1 9 9 SER HB2 H 1 3.801 . . 2 . . . . 396 S QB . 17139 1 66 . 1 1 9 9 SER HB3 H 1 3.801 . . 2 . . . . 396 S QB . 17139 1 67 . 1 1 9 9 SER C C 13 174.459 . . 1 . . . . 396 S C . 17139 1 68 . 1 1 9 9 SER CA C 13 59.309 . . 1 . . . . 396 S CA . 17139 1 69 . 1 1 9 9 SER CB C 13 63.399 . . 1 . . . . 396 S CB . 17139 1 70 . 1 1 9 9 SER N N 15 118.078 . . 1 . . . . 396 S N . 17139 1 71 . 1 1 10 10 ASN H H 1 8.430 . . 1 . . . . 397 N HN . 17139 1 72 . 1 1 10 10 ASN HA H 1 4.804 . . 1 . . . . 397 N HA . 17139 1 73 . 1 1 10 10 ASN HB2 H 1 2.804 . . 2 . . . . 397 N HB2 . 17139 1 74 . 1 1 10 10 ASN HB3 H 1 2.928 . . 2 . . . . 397 N HB3 . 17139 1 75 . 1 1 10 10 ASN CA C 13 53.293 . . 1 . . . . 397 N CA . 17139 1 76 . 1 1 10 10 ASN CB C 13 38.457 . . 1 . . . . 397 N CB . 17139 1 77 . 1 1 10 10 ASN N N 15 119.032 . . 1 . . . . 397 N N . 17139 1 78 . 1 1 11 11 LYS H H 1 7.669 . . 1 . . . . 398 K HN . 17139 1 79 . 1 1 11 11 LYS HA H 1 4.554 . . 1 . . . . 398 K HA . 17139 1 80 . 1 1 11 11 LYS HB2 H 1 1.944 . . 2 . . . . 398 K HB2 . 17139 1 81 . 1 1 11 11 LYS HB3 H 1 1.539 . . 2 . . . . 398 K HB3 . 17139 1 82 . 1 1 11 11 LYS HD2 H 1 1.415 . . 2 . . . . 398 K QD . 17139 1 83 . 1 1 11 11 LYS HD3 H 1 1.415 . . 2 . . . . 398 K QD . 17139 1 84 . 1 1 11 11 LYS HE2 H 1 2.885 . . 2 . . . . 398 K QE . 17139 1 85 . 1 1 11 11 LYS HE3 H 1 2.885 . . 2 . . . . 398 K QE . 17139 1 86 . 1 1 11 11 LYS HG2 H 1 1.327 . . 2 . . . . 398 K HG2 . 17139 1 87 . 1 1 11 11 LYS HG3 H 1 1.256 . . 2 . . . . 398 K HG3 . 17139 1 88 . 1 1 11 11 LYS C C 13 174.497 . . 1 . . . . 398 K C . 17139 1 89 . 1 1 11 11 LYS CA C 13 55.347 . . 1 . . . . 398 K CA . 17139 1 90 . 1 1 11 11 LYS CB C 13 35.302 . . 1 . . . . 398 K CB . 17139 1 91 . 1 1 11 11 LYS CD C 13 29.491 . . 1 . . . . 398 K CD . 17139 1 92 . 1 1 11 11 LYS CE C 13 42.452 . . 1 . . . . 398 K CE . 17139 1 93 . 1 1 11 11 LYS CG C 13 25.469 . . 1 . . . . 398 K CG . 17139 1 94 . 1 1 11 11 LYS N N 15 118.339 . . 1 . . . . 398 K N . 17139 1 95 . 1 1 12 12 LEU H H 1 8.852 . . 1 . . . . 399 L HN . 17139 1 96 . 1 1 12 12 LEU HA H 1 4.520 . . 1 . . . . 399 L HA . 17139 1 97 . 1 1 12 12 LEU HB2 H 1 1.454 . . 2 . . . . 399 L HB2 . 17139 1 98 . 1 1 12 12 LEU HB3 H 1 1.058 . . 2 . . . . 399 L HB3 . 17139 1 99 . 1 1 12 12 LEU HD11 H 1 0.830 . . 2 . . . . 399 L QD1 . 17139 1 100 . 1 1 12 12 LEU HD12 H 1 0.830 . . 2 . . . . 399 L QD1 . 17139 1 101 . 1 1 12 12 LEU HD13 H 1 0.830 . . 2 . . . . 399 L QD1 . 17139 1 102 . 1 1 12 12 LEU HD21 H 1 0.758 . . 2 . . . . 399 L QD2 . 17139 1 103 . 1 1 12 12 LEU HD22 H 1 0.758 . . 2 . . . . 399 L QD2 . 17139 1 104 . 1 1 12 12 LEU HD23 H 1 0.758 . . 2 . . . . 399 L QD2 . 17139 1 105 . 1 1 12 12 LEU HG H 1 1.193 . . 1 . . . . 399 L HG . 17139 1 106 . 1 1 12 12 LEU C C 13 175.551 . . 1 . . . . 399 L C . 17139 1 107 . 1 1 12 12 LEU CA C 13 53.769 . . 1 . . . . 399 L CA . 17139 1 108 . 1 1 12 12 LEU CB C 13 42.990 . . 1 . . . . 399 L CB . 17139 1 109 . 1 1 12 12 LEU CD1 C 13 24.754 . . 2 . . . . 399 L CD1 . 17139 1 110 . 1 1 12 12 LEU CD2 C 13 24.616 . . 2 . . . . 399 L CD2 . 17139 1 111 . 1 1 12 12 LEU CG C 13 27.257 . . 1 . . . . 399 L CG . 17139 1 112 . 1 1 12 12 LEU N N 15 121.704 . . 1 . . . . 399 L N . 17139 1 113 . 1 1 13 13 LEU H H 1 8.547 . . 1 . . . . 400 L HN . 17139 1 114 . 1 1 13 13 LEU HA H 1 3.355 . . 1 . . . . 400 L HA . 17139 1 115 . 1 1 13 13 LEU HB2 H 1 1.597 . . 2 . . . . 400 L HB2 . 17139 1 116 . 1 1 13 13 LEU HB3 H 1 1.085 . . 2 . . . . 400 L HB3 . 17139 1 117 . 1 1 13 13 LEU HD11 H 1 0.335 . . 2 . . . . 400 L QD1 . 17139 1 118 . 1 1 13 13 LEU HD12 H 1 0.335 . . 2 . . . . 400 L QD1 . 17139 1 119 . 1 1 13 13 LEU HD13 H 1 0.335 . . 2 . . . . 400 L QD1 . 17139 1 120 . 1 1 13 13 LEU HD21 H 1 0.657 . . 2 . . . . 400 L QD2 . 17139 1 121 . 1 1 13 13 LEU HD22 H 1 0.657 . . 2 . . . . 400 L QD2 . 17139 1 122 . 1 1 13 13 LEU HD23 H 1 0.657 . . 2 . . . . 400 L QD2 . 17139 1 123 . 1 1 13 13 LEU HG H 1 0.956 . . 1 . . . . 400 L HG . 17139 1 124 . 1 1 13 13 LEU C C 13 175.719 . . 1 . . . . 400 L C . 17139 1 125 . 1 1 13 13 LEU CA C 13 55.682 . . 1 . . . . 400 L CA . 17139 1 126 . 1 1 13 13 LEU CB C 13 40.407 . . 1 . . . . 400 L CB . 17139 1 127 . 1 1 13 13 LEU CD1 C 13 23.364 . . 2 . . . . 400 L CD1 . 17139 1 128 . 1 1 13 13 LEU CD2 C 13 25.503 . . 2 . . . . 400 L CD2 . 17139 1 129 . 1 1 13 13 LEU CG C 13 27.238 . . 1 . . . . 400 L CG . 17139 1 130 . 1 1 13 13 LEU N N 15 127.473 . . 1 . . . . 400 L N . 17139 1 131 . 1 1 14 14 ALA H H 1 9.006 . . 1 . . . . 401 A HN . 17139 1 132 . 1 1 14 14 ALA HA H 1 4.414 . . 1 . . . . 401 A HA . 17139 1 133 . 1 1 14 14 ALA HB1 H 1 1.107 . . 1 . . . . 401 A QB . 17139 1 134 . 1 1 14 14 ALA HB2 H 1 1.107 . . 1 . . . . 401 A QB . 17139 1 135 . 1 1 14 14 ALA HB3 H 1 1.107 . . 1 . . . . 401 A QB . 17139 1 136 . 1 1 14 14 ALA C C 13 176.731 . . 1 . . . . 401 A C . 17139 1 137 . 1 1 14 14 ALA CA C 13 52.115 . . 1 . . . . 401 A CA . 17139 1 138 . 1 1 14 14 ALA CB C 13 21.098 . . 1 . . . . 401 A CB . 17139 1 139 . 1 1 14 14 ALA N N 15 130.968 . . 1 . . . . 401 A N . 17139 1 140 . 1 1 15 15 TRP H H 1 7.481 . . 1 . . . . 402 W HN . 17139 1 141 . 1 1 15 15 TRP HA H 1 4.387 . . 1 . . . . 402 W HA . 17139 1 142 . 1 1 15 15 TRP HB2 H 1 2.376 . . 2 . . . . 402 W HB2 . 17139 1 143 . 1 1 15 15 TRP HB3 H 1 2.910 . . 2 . . . . 402 W HB3 . 17139 1 144 . 1 1 15 15 TRP HD1 H 1 7.221 . . 1 . . . . 402 W HD1 . 17139 1 145 . 1 1 15 15 TRP HE1 H 1 9.886 . . 1 . . . . 402 W HE1 . 17139 1 146 . 1 1 15 15 TRP HE3 H 1 6.802 . . 1 . . . . 402 W HE3 . 17139 1 147 . 1 1 15 15 TRP HH2 H 1 5.912 . . 1 . . . . 402 W HH2 . 17139 1 148 . 1 1 15 15 TRP HZ2 H 1 5.512 . . 1 . . . . 402 W HZ2 . 17139 1 149 . 1 1 15 15 TRP HZ3 H 1 6.440 . . 1 . . . . 402 W HZ3 . 17139 1 150 . 1 1 15 15 TRP C C 13 172.863 . . 1 . . . . 402 W C . 17139 1 151 . 1 1 15 15 TRP CA C 13 57.630 . . 1 . . . . 402 W CA . 17139 1 152 . 1 1 15 15 TRP CB C 13 31.931 . . 1 . . . . 402 W CB . 17139 1 153 . 1 1 15 15 TRP N N 15 118.728 . . 1 . . . . 402 W N . 17139 1 154 . 1 1 15 15 TRP NE1 N 15 128.901 . . 1 . . . . 402 W NE1 . 17139 1 155 . 1 1 16 16 SER H H 1 7.183 . . 1 . . . . 403 S HN . 17139 1 156 . 1 1 16 16 SER HA H 1 4.554 . . 1 . . . . 403 S HA . 17139 1 157 . 1 1 16 16 SER HB2 H 1 3.400 . . 2 . . . . 403 S HB2 . 17139 1 158 . 1 1 16 16 SER HB3 H 1 3.556 . . 2 . . . . 403 S HB3 . 17139 1 159 . 1 1 16 16 SER C C 13 171.285 . . 1 . . . . 403 S C . 17139 1 160 . 1 1 16 16 SER CA C 13 56.432 . . 1 . . . . 403 S CA . 17139 1 161 . 1 1 16 16 SER CB C 13 65.160 . . 1 . . . . 403 S CB . 17139 1 162 . 1 1 16 16 SER N N 15 120.622 . . 1 . . . . 403 S N . 17139 1 163 . 1 1 17 17 GLY H H 1 7.578 . . 1 . . . . 404 G HN . 17139 1 164 . 1 1 17 17 GLY HA2 H 1 3.764 . . 2 . . . . 404 G HA1 . 17139 1 165 . 1 1 17 17 GLY HA3 H 1 3.488 . . 2 . . . . 404 G HA2 . 17139 1 166 . 1 1 17 17 GLY C C 13 172.430 . . 1 . . . . 404 G C . 17139 1 167 . 1 1 17 17 GLY CA C 13 46.651 . . 1 . . . . 404 G CA . 17139 1 168 . 1 1 17 17 GLY N N 15 112.157 . . 1 . . . . 404 G N . 17139 1 169 . 1 1 18 18 VAL H H 1 8.474 . . 1 . . . . 405 V HN . 17139 1 170 . 1 1 18 18 VAL HA H 1 4.909 . . 1 . . . . 405 V HA . 17139 1 171 . 1 1 18 18 VAL HB H 1 1.863 . . 1 . . . . 405 V HB . 17139 1 172 . 1 1 18 18 VAL HG11 H 1 0.870 . . 2 . . . . 405 V QG1 . 17139 1 173 . 1 1 18 18 VAL HG12 H 1 0.870 . . 2 . . . . 405 V QG1 . 17139 1 174 . 1 1 18 18 VAL HG13 H 1 0.870 . . 2 . . . . 405 V QG1 . 17139 1 175 . 1 1 18 18 VAL HG21 H 1 0.889 . . 2 . . . . 405 V QG2 . 17139 1 176 . 1 1 18 18 VAL HG22 H 1 0.889 . . 2 . . . . 405 V QG2 . 17139 1 177 . 1 1 18 18 VAL HG23 H 1 0.889 . . 2 . . . . 405 V QG2 . 17139 1 178 . 1 1 18 18 VAL C C 13 172.653 . . 1 . . . . 405 V C . 17139 1 179 . 1 1 18 18 VAL CA C 13 60.958 . . 1 . . . . 405 V CA . 17139 1 180 . 1 1 18 18 VAL CB C 13 36.027 . . 1 . . . . 405 V CB . 17139 1 181 . 1 1 18 18 VAL CG1 C 13 21.893 . . 2 . . . . 405 V CG1 . 17139 1 182 . 1 1 18 18 VAL CG2 C 13 21.270 . . 2 . . . . 405 V CG2 . 17139 1 183 . 1 1 18 18 VAL N N 15 124.887 . . 1 . . . . 405 V N . 17139 1 184 . 1 1 19 19 LEU H H 1 8.917 . . 1 . . . . 406 L HN . 17139 1 185 . 1 1 19 19 LEU HA H 1 5.326 . . 1 . . . . 406 L HA . 17139 1 186 . 1 1 19 19 LEU HB2 H 1 2.191 . . 2 . . . . 406 L HB2 . 17139 1 187 . 1 1 19 19 LEU HB3 H 1 1.718 . . 2 . . . . 406 L HB3 . 17139 1 188 . 1 1 19 19 LEU HD11 H 1 0.895 . . 2 . . . . 406 L QD1 . 17139 1 189 . 1 1 19 19 LEU HD12 H 1 0.895 . . 2 . . . . 406 L QD1 . 17139 1 190 . 1 1 19 19 LEU HD13 H 1 0.895 . . 2 . . . . 406 L QD1 . 17139 1 191 . 1 1 19 19 LEU HD21 H 1 0.811 . . 2 . . . . 406 L QD2 . 17139 1 192 . 1 1 19 19 LEU HD22 H 1 0.811 . . 2 . . . . 406 L QD2 . 17139 1 193 . 1 1 19 19 LEU HD23 H 1 0.811 . . 2 . . . . 406 L QD2 . 17139 1 194 . 1 1 19 19 LEU C C 13 174.319 . . 1 . . . . 406 L C . 17139 1 195 . 1 1 19 19 LEU CA C 13 53.528 . . 1 . . . . 406 L CA . 17139 1 196 . 1 1 19 19 LEU CB C 13 46.308 . . 1 . . . . 406 L CB . 17139 1 197 . 1 1 19 19 LEU CD1 C 13 24.690 . . 2 . . . . 406 L CD1 . 17139 1 198 . 1 1 19 19 LEU CD2 C 13 25.872 . . 2 . . . . 406 L CD2 . 17139 1 199 . 1 1 19 19 LEU N N 15 128.396 . . 1 . . . . 406 L N . 17139 1 200 . 1 1 20 20 GLU H H 1 9.192 . . 1 . . . . 407 E HN . 17139 1 201 . 1 1 20 20 GLU HA H 1 5.542 . . 1 . . . . 407 E HA . 17139 1 202 . 1 1 20 20 GLU HB2 H 1 1.791 . . 2 . . . . 407 E HB2 . 17139 1 203 . 1 1 20 20 GLU HB3 H 1 1.902 . . 2 . . . . 407 E HB3 . 17139 1 204 . 1 1 20 20 GLU HG2 H 1 1.937 . . 2 . . . . 407 E HG2 . 17139 1 205 . 1 1 20 20 GLU HG3 H 1 2.188 . . 2 . . . . 407 E HG3 . 17139 1 206 . 1 1 20 20 GLU C C 13 174.123 . . 1 . . . . 407 E C . 17139 1 207 . 1 1 20 20 GLU CA C 13 54.373 . . 1 . . . . 407 E CA . 17139 1 208 . 1 1 20 20 GLU CB C 13 34.239 . . 1 . . . . 407 E CB . 17139 1 209 . 1 1 20 20 GLU CG C 13 38.072 . . 1 . . . . 407 E CG . 17139 1 210 . 1 1 20 20 GLU N N 15 126.968 . . 1 . . . . 407 E N . 17139 1 211 . 1 1 21 21 TRP H H 1 8.772 . . 1 . . . . 408 W HN . 17139 1 212 . 1 1 21 21 TRP HA H 1 5.207 . . 1 . . . . 408 W HA . 17139 1 213 . 1 1 21 21 TRP HB2 H 1 3.097 . . 2 . . . . 408 W HB2 . 17139 1 214 . 1 1 21 21 TRP HB3 H 1 3.299 . . 2 . . . . 408 W HB3 . 17139 1 215 . 1 1 21 21 TRP HD1 H 1 6.716 . . 1 . . . . 408 W HD1 . 17139 1 216 . 1 1 21 21 TRP HE1 H 1 10.493 . . 1 . . . . 408 W HE1 . 17139 1 217 . 1 1 21 21 TRP HE3 H 1 6.569 . . 1 . . . . 408 W HE3 . 17139 1 218 . 1 1 21 21 TRP HZ2 H 1 7.076 . . 1 . . . . 408 W HZ2 . 17139 1 219 . 1 1 21 21 TRP C C 13 172.542 . . 1 . . . . 408 W C . 17139 1 220 . 1 1 21 21 TRP CA C 13 56.791 . . 1 . . . . 408 W CA . 17139 1 221 . 1 1 21 21 TRP CB C 13 33.345 . . 1 . . . . 408 W CB . 17139 1 222 . 1 1 21 21 TRP N N 15 123.479 . . 1 . . . . 408 W N . 17139 1 223 . 1 1 21 21 TRP NE1 N 15 129.516 . . 1 . . . . 408 W NE1 . 17139 1 224 . 1 1 22 22 GLN H H 1 8.591 . . 1 . . . . 409 Q HN . 17139 1 225 . 1 1 22 22 GLN HA H 1 4.968 . . 1 . . . . 409 Q HA . 17139 1 226 . 1 1 22 22 GLN HB2 H 1 1.904 . . 2 . . . . 409 Q HB2 . 17139 1 227 . 1 1 22 22 GLN HB3 H 1 1.864 . . 2 . . . . 409 Q HB3 . 17139 1 228 . 1 1 22 22 GLN HG2 H 1 2.285 . . 2 . . . . 409 Q QG . 17139 1 229 . 1 1 22 22 GLN HG3 H 1 2.285 . . 2 . . . . 409 Q QG . 17139 1 230 . 1 1 22 22 GLN C C 13 175.670 . . 1 . . . . 409 Q C . 17139 1 231 . 1 1 22 22 GLN CA C 13 54.138 . . 1 . . . . 409 Q CA . 17139 1 232 . 1 1 22 22 GLN CB C 13 31.394 . . 1 . . . . 409 Q CB . 17139 1 233 . 1 1 22 22 GLN CG C 13 34.497 . . 1 . . . . 409 Q CG . 17139 1 234 . 1 1 22 22 GLN N N 15 117.663 . . 1 . . . . 409 Q N . 17139 1 235 . 1 1 23 23 GLU H H 1 8.582 . . 1 . . . . 410 E HN . 17139 1 236 . 1 1 23 23 GLU HA H 1 4.414 . . 1 . . . . 410 E HA . 17139 1 237 . 1 1 23 23 GLU HB2 H 1 1.749 . . 2 . . . . 410 E QB . 17139 1 238 . 1 1 23 23 GLU HB3 H 1 1.749 . . 2 . . . . 410 E QB . 17139 1 239 . 1 1 23 23 GLU HG2 H 1 2.144 . . 2 . . . . 410 E HG2 . 17139 1 240 . 1 1 23 23 GLU HG3 H 1 2.104 . . 2 . . . . 410 E HG3 . 17139 1 241 . 1 1 23 23 GLU CA C 13 55.446 . . 1 . . . . 410 E CA . 17139 1 242 . 1 1 23 23 GLU CB C 13 31.646 . . 1 . . . . 410 E CB . 17139 1 243 . 1 1 23 23 GLU CG C 13 36.910 . . 1 . . . . 410 E CG . 17139 1 244 . 1 1 23 23 GLU N N 15 122.472 . . 1 . . . . 410 E N . 17139 1 245 . 1 1 24 24 LYS H H 1 8.437 . . 1 . . . . 411 K HN . 17139 1 246 . 1 1 24 24 LYS HA H 1 4.594 . . 1 . . . . 411 K HA . 17139 1 247 . 1 1 24 24 LYS HB2 H 1 1.804 . . 2 . . . . 411 K HB2 . 17139 1 248 . 1 1 24 24 LYS HB3 H 1 1.670 . . 2 . . . . 411 K HB3 . 17139 1 249 . 1 1 24 24 LYS HG2 H 1 1.423 . . 2 . . . . 411 K QG . 17139 1 250 . 1 1 24 24 LYS HG3 H 1 1.423 . . 2 . . . . 411 K QG . 17139 1 251 . 1 1 24 24 LYS C C 13 174.441 . . 1 . . . . 411 K C . 17139 1 252 . 1 1 24 24 LYS CA C 13 54.071 . . 1 . . . . 411 K CA . 17139 1 253 . 1 1 24 24 LYS CB C 13 32.183 . . 1 . . . . 411 K CB . 17139 1 254 . 1 1 24 24 LYS N N 15 122.642 . . 1 . . . . 411 K N . 17139 1 255 . 1 1 25 25 PRO HA H 1 4.456 . . 1 . . . . 412 P HA . 17139 1 256 . 1 1 25 25 PRO HB2 H 1 2.359 . . 2 . . . . 412 P HB2 . 17139 1 257 . 1 1 25 25 PRO HB3 H 1 2.144 . . 2 . . . . 412 P HB3 . 17139 1 258 . 1 1 25 25 PRO HD2 H 1 3.740 . . 2 . . . . 412 P HD2 . 17139 1 259 . 1 1 25 25 PRO HD3 H 1 3.634 . . 2 . . . . 412 P HD3 . 17139 1 260 . 1 1 25 25 PRO CA C 13 63.757 . . 1 . . . . 412 P CA . 17139 1 261 . 1 1 25 25 PRO CB C 13 30.721 . . 1 . . . . 412 P CB . 17139 1 262 . 1 1 25 25 PRO CD C 13 50.765 . . 1 . . . . 412 P CD . 17139 1 263 . 1 1 25 25 PRO CG C 13 27.860 . . 1 . . . . 412 P CG . 17139 1 264 . 1 1 26 26 LYS H H 1 7.886 . . 1 . . . . 413 K HN . 17139 1 265 . 1 1 26 26 LYS HA H 1 4.548 . . 1 . . . . 413 K HA . 17139 1 266 . 1 1 26 26 LYS HE2 H 1 3.733 . . 2 . . . . 413 K QE . 17139 1 267 . 1 1 26 26 LYS HE3 H 1 3.733 . . 2 . . . . 413 K QE . 17139 1 268 . 1 1 26 26 LYS CA C 13 57.297 . . 1 . . . . 413 K CA . 17139 1 269 . 1 1 26 26 LYS CB C 13 28.891 . . 1 . . . . 413 K CB . 17139 1 270 . 1 1 26 26 LYS N N 15 117.774 . . 1 . . . . 413 K N . 17139 1 271 . 1 1 27 27 PRO HA H 1 4.314 . . 1 . . . . 414 P HA . 17139 1 272 . 1 1 27 27 PRO HD2 H 1 3.642 . . 2 . . . . 414 P HD2 . 17139 1 273 . 1 1 27 27 PRO HD3 H 1 3.831 . . 2 . . . . 414 P HD3 . 17139 1 274 . 1 1 27 27 PRO CA C 13 64.076 . . 1 . . . . 414 P CA . 17139 1 275 . 1 1 27 27 PRO CB C 13 31.394 . . 1 . . . . 414 P CB . 17139 1 276 . 1 1 27 27 PRO CD C 13 50.944 . . 1 . . . . 414 P CD . 17139 1 277 . 1 1 28 28 ALA H H 1 8.341 . . 1 . . . . 415 A HN . 17139 1 278 . 1 1 28 28 ALA HA H 1 4.244 . . 1 . . . . 415 A HA . 17139 1 279 . 1 1 28 28 ALA HB1 H 1 1.380 . . 1 . . . . 415 A QB . 17139 1 280 . 1 1 28 28 ALA HB2 H 1 1.380 . . 1 . . . . 415 A QB . 17139 1 281 . 1 1 28 28 ALA HB3 H 1 1.380 . . 1 . . . . 415 A QB . 17139 1 282 . 1 1 28 28 ALA C C 13 177.428 . . 1 . . . . 415 A C . 17139 1 283 . 1 1 28 28 ALA CA C 13 52.779 . . 1 . . . . 415 A CA . 17139 1 284 . 1 1 28 28 ALA CB C 13 18.495 . . 1 . . . . 415 A CB . 17139 1 285 . 1 1 28 28 ALA N N 15 121.191 . . 1 . . . . 415 A N . 17139 1 286 . 1 1 29 29 SER H H 1 7.917 . . 1 . . . . 416 S HN . 17139 1 287 . 1 1 29 29 SER HA H 1 4.429 . . 1 . . . . 416 S HA . 17139 1 288 . 1 1 29 29 SER HB2 H 1 3.891 . . 2 . . . . 416 S HB2 . 17139 1 289 . 1 1 29 29 SER HB3 H 1 3.819 . . 2 . . . . 416 S HB3 . 17139 1 290 . 1 1 29 29 SER C C 13 174.832 . . 1 . . . . 416 S C . 17139 1 291 . 1 1 29 29 SER CA C 13 58.374 . . 1 . . . . 416 S CA . 17139 1 292 . 1 1 29 29 SER CB C 13 64.024 . . 1 . . . . 416 S CB . 17139 1 293 . 1 1 29 29 SER N N 15 113.434 . . 1 . . . . 416 S N . 17139 1 294 . 1 1 30 30 VAL H H 1 8.124 . . 1 . . . . 417 V HN . 17139 1 295 . 1 1 30 30 VAL HA H 1 4.077 . . 1 . . . . 417 V HA . 17139 1 296 . 1 1 30 30 VAL HB H 1 2.151 . . 1 . . . . 417 V HB . 17139 1 297 . 1 1 30 30 VAL HG11 H 1 0.910 . . 2 . . . . 417 V QG1 . 17139 1 298 . 1 1 30 30 VAL HG12 H 1 0.910 . . 2 . . . . 417 V QG1 . 17139 1 299 . 1 1 30 30 VAL HG13 H 1 0.910 . . 2 . . . . 417 V QG1 . 17139 1 300 . 1 1 30 30 VAL HG21 H 1 0.900 . . 2 . . . . 417 V QG2 . 17139 1 301 . 1 1 30 30 VAL HG22 H 1 0.900 . . 2 . . . . 417 V QG2 . 17139 1 302 . 1 1 30 30 VAL HG23 H 1 0.900 . . 2 . . . . 417 V QG2 . 17139 1 303 . 1 1 30 30 VAL C C 13 175.808 . . 1 . . . . 417 V C . 17139 1 304 . 1 1 30 30 VAL CA C 13 62.815 . . 1 . . . . 417 V CA . 17139 1 305 . 1 1 30 30 VAL CB C 13 32.004 . . 1 . . . . 417 V CB . 17139 1 306 . 1 1 30 30 VAL CG1 C 13 20.327 . . 2 . . . . 417 V CG1 . 17139 1 307 . 1 1 30 30 VAL CG2 C 13 20.221 . . 2 . . . . 417 V CG2 . 17139 1 308 . 1 1 30 30 VAL N N 15 120.520 . . 1 . . . . 417 V N . 17139 1 309 . 1 1 31 31 ASP H H 1 8.213 . . 1 . . . . 418 D HN . 17139 1 310 . 1 1 31 31 ASP HA H 1 4.578 . . 1 . . . . 418 D HA . 17139 1 311 . 1 1 31 31 ASP HB2 H 1 2.730 . . 2 . . . . 418 D HB2 . 17139 1 312 . 1 1 31 31 ASP HB3 H 1 2.608 . . 2 . . . . 418 D HB3 . 17139 1 313 . 1 1 31 31 ASP C C 13 175.977 . . 1 . . . . 418 D C . 17139 1 314 . 1 1 31 31 ASP CA C 13 54.067 . . 1 . . . . 418 D CA . 17139 1 315 . 1 1 31 31 ASP CB C 13 41.228 . . 1 . . . . 418 D CB . 17139 1 316 . 1 1 31 31 ASP N N 15 121.696 . . 1 . . . . 418 D N . 17139 1 317 . 1 1 32 32 ALA H H 1 8.165 . . 1 . . . . 419 A HN . 17139 1 318 . 1 1 32 32 ALA HA H 1 4.191 . . 1 . . . . 419 A HA . 17139 1 319 . 1 1 32 32 ALA HB1 H 1 1.363 . . 1 . . . . 419 A QB . 17139 1 320 . 1 1 32 32 ALA HB2 H 1 1.363 . . 1 . . . . 419 A QB . 17139 1 321 . 1 1 32 32 ALA HB3 H 1 1.363 . . 1 . . . . 419 A QB . 17139 1 322 . 1 1 32 32 ALA C C 13 177.568 . . 1 . . . . 419 A C . 17139 1 323 . 1 1 32 32 ALA CA C 13 53.057 . . 1 . . . . 419 A CA . 17139 1 324 . 1 1 32 32 ALA CB C 13 19.031 . . 1 . . . . 419 A CB . 17139 1 325 . 1 1 32 32 ALA N N 15 123.925 . . 1 . . . . 419 A N . 17139 1 326 . 1 1 33 33 ASN H H 1 8.465 . . 1 . . . . 420 N HN . 17139 1 327 . 1 1 33 33 ASN HA H 1 4.683 . . 1 . . . . 420 N HA . 17139 1 328 . 1 1 33 33 ASN HB2 H 1 2.861 . . 2 . . . . 420 N HB2 . 17139 1 329 . 1 1 33 33 ASN HB3 H 1 2.776 . . 2 . . . . 420 N HB3 . 17139 1 330 . 1 1 33 33 ASN C C 13 175.383 . . 1 . . . . 420 N C . 17139 1 331 . 1 1 33 33 ASN CA C 13 53.399 . . 1 . . . . 420 N CA . 17139 1 332 . 1 1 33 33 ASN CB C 13 38.904 . . 1 . . . . 420 N CB . 17139 1 333 . 1 1 33 33 ASN N N 15 116.359 . . 1 . . . . 420 N N . 17139 1 334 . 1 1 34 34 THR H H 1 7.826 . . 1 . . . . 421 T HN . 17139 1 335 . 1 1 34 34 THR HA H 1 4.198 . . 1 . . . . 421 T HA . 17139 1 336 . 1 1 34 34 THR HB H 1 4.111 . . 1 . . . . 421 T HB . 17139 1 337 . 1 1 34 34 THR HG21 H 1 1.187 . . 1 . . . . 421 T QG2 . 17139 1 338 . 1 1 34 34 THR HG22 H 1 1.187 . . 1 . . . . 421 T QG2 . 17139 1 339 . 1 1 34 34 THR HG23 H 1 1.187 . . 1 . . . . 421 T QG2 . 17139 1 340 . 1 1 34 34 THR C C 13 174.022 . . 1 . . . . 421 T C . 17139 1 341 . 1 1 34 34 THR CA C 13 62.432 . . 1 . . . . 421 T CA . 17139 1 342 . 1 1 34 34 THR CB C 13 69.567 . . 1 . . . . 421 T CB . 17139 1 343 . 1 1 34 34 THR CG2 C 13 21.268 . . 1 . . . . 421 T CG2 . 17139 1 344 . 1 1 34 34 THR N N 15 114.928 . . 1 . . . . 421 T N . 17139 1 345 . 1 1 35 35 LYS H H 1 8.296 . . 1 . . . . 422 K HN . 17139 1 346 . 1 1 35 35 LYS HA H 1 4.384 . . 1 . . . . 422 K HA . 17139 1 347 . 1 1 35 35 LYS HB2 H 1 1.695 . . 2 . . . . 422 K QB . 17139 1 348 . 1 1 35 35 LYS HB3 H 1 1.695 . . 2 . . . . 422 K QB . 17139 1 349 . 1 1 35 35 LYS HE2 H 1 2.887 . . 2 . . . . 422 K QE . 17139 1 350 . 1 1 35 35 LYS HE3 H 1 2.887 . . 2 . . . . 422 K QE . 17139 1 351 . 1 1 35 35 LYS HG2 H 1 1.428 . . 2 . . . . 422 K QG . 17139 1 352 . 1 1 35 35 LYS HG3 H 1 1.428 . . 2 . . . . 422 K QG . 17139 1 353 . 1 1 35 35 LYS C C 13 175.809 . . 1 . . . . 422 K C . 17139 1 354 . 1 1 35 35 LYS CA C 13 56.052 . . 1 . . . . 422 K CA . 17139 1 355 . 1 1 35 35 LYS CB C 13 32.799 . . 1 . . . . 422 K CB . 17139 1 356 . 1 1 35 35 LYS N N 15 123.629 . . 1 . . . . 422 K N . 17139 1 357 . 1 1 36 36 LEU H H 1 8.470 . . 1 . . . . 423 L HN . 17139 1 358 . 1 1 36 36 LEU HA H 1 4.361 . . 1 . . . . 423 L HA . 17139 1 359 . 1 1 36 36 LEU HB2 H 1 1.516 . . 2 . . . . 423 L QB . 17139 1 360 . 1 1 36 36 LEU HB3 H 1 1.516 . . 2 . . . . 423 L QB . 17139 1 361 . 1 1 36 36 LEU HD11 H 1 0.799 . . 2 . . . . 423 L QD1 . 17139 1 362 . 1 1 36 36 LEU HD12 H 1 0.799 . . 2 . . . . 423 L QD1 . 17139 1 363 . 1 1 36 36 LEU HD13 H 1 0.799 . . 2 . . . . 423 L QD1 . 17139 1 364 . 1 1 36 36 LEU HD21 H 1 0.716 . . 2 . . . . 423 L QD2 . 17139 1 365 . 1 1 36 36 LEU HD22 H 1 0.716 . . 2 . . . . 423 L QD2 . 17139 1 366 . 1 1 36 36 LEU HD23 H 1 0.716 . . 2 . . . . 423 L QD2 . 17139 1 367 . 1 1 36 36 LEU C C 13 176.280 . . 1 . . . . 423 L C . 17139 1 368 . 1 1 36 36 LEU CA C 13 54.675 . . 1 . . . . 423 L CA . 17139 1 369 . 1 1 36 36 LEU CB C 13 42.374 . . 1 . . . . 423 L CB . 17139 1 370 . 1 1 36 36 LEU CD1 C 13 24.911 . . 2 . . . . 423 L CD1 . 17139 1 371 . 1 1 36 36 LEU CD2 C 13 23.681 . . 2 . . . . 423 L CD2 . 17139 1 372 . 1 1 36 36 LEU N N 15 123.773 . . 1 . . . . 423 L N . 17139 1 373 . 1 1 37 37 THR H H 1 8.023 . . 1 . . . . 424 T HN . 17139 1 374 . 1 1 37 37 THR HA H 1 4.474 . . 1 . . . . 424 T HA . 17139 1 375 . 1 1 37 37 THR HB H 1 3.844 . . 1 . . . . 424 T HB . 17139 1 376 . 1 1 37 37 THR HG21 H 1 0.990 . . 1 . . . . 424 T QG2 . 17139 1 377 . 1 1 37 37 THR HG22 H 1 0.990 . . 1 . . . . 424 T QG2 . 17139 1 378 . 1 1 37 37 THR HG23 H 1 0.990 . . 1 . . . . 424 T QG2 . 17139 1 379 . 1 1 37 37 THR C C 13 173.854 . . 1 . . . . 424 T C . 17139 1 380 . 1 1 37 37 THR CA C 13 62.310 . . 1 . . . . 424 T CA . 17139 1 381 . 1 1 37 37 THR CB C 13 69.567 . . 1 . . . . 424 T CB . 17139 1 382 . 1 1 37 37 THR N N 15 117.260 . . 1 . . . . 424 T N . 17139 1 383 . 1 1 38 38 ARG H H 1 8.595 . . 1 . . . . 425 R HN . 17139 1 384 . 1 1 38 38 ARG HA H 1 4.148 . . 1 . . . . 425 R HA . 17139 1 385 . 1 1 38 38 ARG HB2 H 1 0.556 . . 2 . . . . 425 R HB2 . 17139 1 386 . 1 1 38 38 ARG HB3 H 1 -0.297 . . 2 . . . . 425 R HB3 . 17139 1 387 . 1 1 38 38 ARG HD2 H 1 2.871 . . 2 . . . . 425 R HD2 . 17139 1 388 . 1 1 38 38 ARG HD3 H 1 2.784 . . 2 . . . . 425 R HD3 . 17139 1 389 . 1 1 38 38 ARG HG2 H 1 1.101 . . 2 . . . . 425 R QG . 17139 1 390 . 1 1 38 38 ARG HG3 H 1 1.101 . . 2 . . . . 425 R QG . 17139 1 391 . 1 1 38 38 ARG C C 13 173.463 . . 1 . . . . 425 R C . 17139 1 392 . 1 1 38 38 ARG CA C 13 53.327 . . 1 . . . . 425 R CA . 17139 1 393 . 1 1 38 38 ARG CB C 13 31.378 . . 1 . . . . 425 R CB . 17139 1 394 . 1 1 38 38 ARG CD C 13 42.737 . . 1 . . . . 425 R CD . 17139 1 395 . 1 1 38 38 ARG CG C 13 26.988 . . 1 . . . . 425 R CG . 17139 1 396 . 1 1 38 38 ARG N N 15 127.090 . . 1 . . . . 425 R N . 17139 1 397 . 1 1 39 39 SER H H 1 7.739 . . 1 . . . . 426 S HN . 17139 1 398 . 1 1 39 39 SER HA H 1 5.312 . . 1 . . . . 426 S HA . 17139 1 399 . 1 1 39 39 SER HB2 H 1 3.667 . . 2 . . . . 426 S HB2 . 17139 1 400 . 1 1 39 39 SER HB3 H 1 3.554 . . 2 . . . . 426 S HB3 . 17139 1 401 . 1 1 39 39 SER C C 13 173.743 . . 1 . . . . 426 S C . 17139 1 402 . 1 1 39 39 SER CA C 13 56.992 . . 1 . . . . 426 S CA . 17139 1 403 . 1 1 39 39 SER CB C 13 65.365 . . 1 . . . . 426 S CB . 17139 1 404 . 1 1 39 39 SER N N 15 111.583 . . 1 . . . . 426 S N . 17139 1 405 . 1 1 40 40 LEU H H 1 9.128 . . 1 . . . . 427 L HN . 17139 1 406 . 1 1 40 40 LEU HA H 1 5.144 . . 1 . . . . 427 L HA . 17139 1 407 . 1 1 40 40 LEU HB2 H 1 1.864 . . 2 . . . . 427 L HB2 . 17139 1 408 . 1 1 40 40 LEU HB3 H 1 1.807 . . 2 . . . . 427 L HB3 . 17139 1 409 . 1 1 40 40 LEU HD11 H 1 0.673 . . 2 . . . . 427 L QD1 . 17139 1 410 . 1 1 40 40 LEU HD12 H 1 0.673 . . 2 . . . . 427 L QD1 . 17139 1 411 . 1 1 40 40 LEU HD13 H 1 0.673 . . 2 . . . . 427 L QD1 . 17139 1 412 . 1 1 40 40 LEU HD21 H 1 1.020 . . 2 . . . . 427 L QD2 . 17139 1 413 . 1 1 40 40 LEU HD22 H 1 1.020 . . 2 . . . . 427 L QD2 . 17139 1 414 . 1 1 40 40 LEU HD23 H 1 1.020 . . 2 . . . . 427 L QD2 . 17139 1 415 . 1 1 40 40 LEU C C 13 173.966 . . 1 . . . . 427 L C . 17139 1 416 . 1 1 40 40 LEU CA C 13 52.090 . . 1 . . . . 427 L CA . 17139 1 417 . 1 1 40 40 LEU CB C 13 46.844 . . 1 . . . . 427 L CB . 17139 1 418 . 1 1 40 40 LEU CD1 C 13 26.939 . . 2 . . . . 427 L CD1 . 17139 1 419 . 1 1 40 40 LEU CD2 C 13 25.263 . . 2 . . . . 427 L CD2 . 17139 1 420 . 1 1 40 40 LEU N N 15 122.685 . . 1 . . . . 427 L N . 17139 1 421 . 1 1 41 41 PRO HA H 1 5.126 . . 1 . . . . 428 P HA . 17139 1 422 . 1 1 41 41 PRO HB2 H 1 2.383 . . 2 . . . . 428 P HB2 . 17139 1 423 . 1 1 41 41 PRO HB3 H 1 2.016 . . 2 . . . . 428 P HB3 . 17139 1 424 . 1 1 41 41 PRO HD2 H 1 3.771 . . 2 . . . . 428 P HD2 . 17139 1 425 . 1 1 41 41 PRO HD3 H 1 4.003 . . 2 . . . . 428 P HD3 . 17139 1 426 . 1 1 41 41 PRO HG2 H 1 2.212 . . 2 . . . . 428 P QG . 17139 1 427 . 1 1 41 41 PRO HG3 H 1 2.212 . . 2 . . . . 428 P QG . 17139 1 428 . 1 1 41 41 PRO CA C 13 62.479 . . 1 . . . . 428 P CA . 17139 1 429 . 1 1 41 41 PRO CB C 13 32.199 . . 1 . . . . 428 P CB . 17139 1 430 . 1 1 41 41 PRO CD C 13 51.480 . . 1 . . . . 428 P CD . 17139 1 431 . 1 1 41 41 PRO CG C 13 28.240 . . 1 . . . . 428 P CG . 17139 1 432 . 1 1 42 42 CYS H H 1 9.042 . . 1 . . . . 429 C HN . 17139 1 433 . 1 1 42 42 CYS HA H 1 5.237 . . 1 . . . . 429 C HA . 17139 1 434 . 1 1 42 42 CYS HB2 H 1 2.460 . . 2 . . . . 429 C HB2 . 17139 1 435 . 1 1 42 42 CYS HB3 H 1 2.984 . . 2 . . . . 429 C HB3 . 17139 1 436 . 1 1 42 42 CYS C C 13 171.759 . . 1 . . . . 429 C C . 17139 1 437 . 1 1 42 42 CYS CA C 13 56.288 . . 1 . . . . 429 C CA . 17139 1 438 . 1 1 42 42 CYS CB C 13 31.279 . . 1 . . . . 429 C CB . 17139 1 439 . 1 1 42 42 CYS N N 15 118.866 . . 1 . . . . 429 C N . 17139 1 440 . 1 1 43 43 GLN H H 1 8.724 . . 1 . . . . 430 Q HN . 17139 1 441 . 1 1 43 43 GLN HA H 1 5.070 . . 1 . . . . 430 Q HA . 17139 1 442 . 1 1 43 43 GLN HB2 H 1 2.330 . . 2 . . . . 430 Q HB2 . 17139 1 443 . 1 1 43 43 GLN HB3 H 1 2.260 . . 2 . . . . 430 Q HB3 . 17139 1 444 . 1 1 43 43 GLN HG2 H 1 2.084 . . 2 . . . . 430 Q QG . 17139 1 445 . 1 1 43 43 GLN HG3 H 1 2.084 . . 2 . . . . 430 Q QG . 17139 1 446 . 1 1 43 43 GLN C C 13 174.385 . . 1 . . . . 430 Q C . 17139 1 447 . 1 1 43 43 GLN CA C 13 54.138 . . 1 . . . . 430 Q CA . 17139 1 448 . 1 1 43 43 GLN CB C 13 33.335 . . 1 . . . . 430 Q CB . 17139 1 449 . 1 1 43 43 GLN CG C 13 34.497 . . 1 . . . . 430 Q CG . 17139 1 450 . 1 1 43 43 GLN N N 15 119.240 . . 1 . . . . 430 Q N . 17139 1 451 . 1 1 44 44 VAL H H 1 8.780 . . 1 . . . . 431 V HN . 17139 1 452 . 1 1 44 44 VAL HA H 1 4.698 . . 1 . . . . 431 V HA . 17139 1 453 . 1 1 44 44 VAL HB H 1 1.748 . . 1 . . . . 431 V HB . 17139 1 454 . 1 1 44 44 VAL HG11 H 1 0.080 . . 2 . . . . 431 V QG1 . 17139 1 455 . 1 1 44 44 VAL HG12 H 1 0.080 . . 2 . . . . 431 V QG1 . 17139 1 456 . 1 1 44 44 VAL HG13 H 1 0.080 . . 2 . . . . 431 V QG1 . 17139 1 457 . 1 1 44 44 VAL HG21 H 1 0.515 . . 2 . . . . 431 V QG2 . 17139 1 458 . 1 1 44 44 VAL HG22 H 1 0.515 . . 2 . . . . 431 V QG2 . 17139 1 459 . 1 1 44 44 VAL HG23 H 1 0.515 . . 2 . . . . 431 V QG2 . 17139 1 460 . 1 1 44 44 VAL C C 13 174.263 . . 1 . . . . 431 V C . 17139 1 461 . 1 1 44 44 VAL CA C 13 60.830 . . 1 . . . . 431 V CA . 17139 1 462 . 1 1 44 44 VAL CB C 13 34.076 . . 1 . . . . 431 V CB . 17139 1 463 . 1 1 44 44 VAL CG1 C 13 21.926 . . 2 . . . . 431 V CG1 . 17139 1 464 . 1 1 44 44 VAL CG2 C 13 20.780 . . 2 . . . . 431 V CG2 . 17139 1 465 . 1 1 44 44 VAL N N 15 120.277 . . 1 . . . . 431 V N . 17139 1 466 . 1 1 45 45 TYR H H 1 9.213 . . 1 . . . . 432 Y HN . 17139 1 467 . 1 1 45 45 TYR HA H 1 5.295 . . 1 . . . . 432 Y HA . 17139 1 468 . 1 1 45 45 TYR HB2 H 1 2.698 . . 2 . . . . 432 Y HB2 . 17139 1 469 . 1 1 45 45 TYR HB3 H 1 2.552 . . 2 . . . . 432 Y HB3 . 17139 1 470 . 1 1 45 45 TYR HD1 H 1 6.642 . . 3 . . . . 432 Y QD . 17139 1 471 . 1 1 45 45 TYR HD2 H 1 6.642 . . 3 . . . . 432 Y QD . 17139 1 472 . 1 1 45 45 TYR HE1 H 1 7.045 . . 3 . . . . 432 Y QE . 17139 1 473 . 1 1 45 45 TYR HE2 H 1 7.045 . . 3 . . . . 432 Y QE . 17139 1 474 . 1 1 45 45 TYR C C 13 175.726 . . 1 . . . . 432 Y C . 17139 1 475 . 1 1 45 45 TYR CA C 13 56.757 . . 1 . . . . 432 Y CA . 17139 1 476 . 1 1 45 45 TYR CB C 13 42.195 . . 1 . . . . 432 Y CB . 17139 1 477 . 1 1 45 45 TYR N N 15 126.051 . . 1 . . . . 432 Y N . 17139 1 478 . 1 1 46 46 VAL H H 1 9.016 . . 1 . . . . 433 V HN . 17139 1 479 . 1 1 46 46 VAL HA H 1 4.863 . . 1 . . . . 433 V HA . 17139 1 480 . 1 1 46 46 VAL HB H 1 2.454 . . 1 . . . . 433 V HB . 17139 1 481 . 1 1 46 46 VAL HG11 H 1 0.798 . . 2 . . . . 433 V QG1 . 17139 1 482 . 1 1 46 46 VAL HG12 H 1 0.798 . . 2 . . . . 433 V QG1 . 17139 1 483 . 1 1 46 46 VAL HG13 H 1 0.798 . . 2 . . . . 433 V QG1 . 17139 1 484 . 1 1 46 46 VAL HG21 H 1 0.800 . . 2 . . . . 433 V QG2 . 17139 1 485 . 1 1 46 46 VAL HG22 H 1 0.800 . . 2 . . . . 433 V QG2 . 17139 1 486 . 1 1 46 46 VAL HG23 H 1 0.800 . . 2 . . . . 433 V QG2 . 17139 1 487 . 1 1 46 46 VAL C C 13 174.832 . . 1 . . . . 433 V C . 17139 1 488 . 1 1 46 46 VAL CA C 13 58.604 . . 1 . . . . 433 V CA . 17139 1 489 . 1 1 46 46 VAL CB C 13 34.586 . . 1 . . . . 433 V CB . 17139 1 490 . 1 1 46 46 VAL CG1 C 13 22.520 . . 2 . . . . 433 V CG1 . 17139 1 491 . 1 1 46 46 VAL CG2 C 13 19.570 . . 2 . . . . 433 V CG2 . 17139 1 492 . 1 1 46 46 VAL N N 15 114.444 . . 1 . . . . 433 V N . 17139 1 493 . 1 1 47 47 ASN H H 1 8.779 . . 1 . . . . 434 N HN . 17139 1 494 . 1 1 47 47 ASN HA H 1 4.848 . . 1 . . . . 434 N HA . 17139 1 495 . 1 1 47 47 ASN HB2 H 1 2.861 . . 2 . . . . 434 N HB2 . 17139 1 496 . 1 1 47 47 ASN HB3 H 1 2.661 . . 2 . . . . 434 N HB3 . 17139 1 497 . 1 1 47 47 ASN C C 13 176.005 . . 1 . . . . 434 N C . 17139 1 498 . 1 1 47 47 ASN CA C 13 53.232 . . 1 . . . . 434 N CA . 17139 1 499 . 1 1 47 47 ASN CB C 13 39.146 . . 1 . . . . 434 N CB . 17139 1 500 . 1 1 47 47 ASN N N 15 118.908 . . 1 . . . . 434 N N . 17139 1 501 . 1 1 48 48 HIS H H 1 8.692 . . 1 . . . . 435 H HN . 17139 1 502 . 1 1 48 48 HIS HA H 1 4.174 . . 1 . . . . 435 H HA . 17139 1 503 . 1 1 48 48 HIS HB2 H 1 3.065 . . 2 . . . . 435 H QB . 17139 1 504 . 1 1 48 48 HIS HB3 H 1 3.065 . . 2 . . . . 435 H QB . 17139 1 505 . 1 1 48 48 HIS HD2 H 1 7.063 . . 1 . . . . 435 H HD2 . 17139 1 506 . 1 1 48 48 HIS C C 13 176.619 . . 1 . . . . 435 H C . 17139 1 507 . 1 1 48 48 HIS CA C 13 59.047 . . 1 . . . . 435 H CA . 17139 1 508 . 1 1 48 48 HIS CB C 13 29.580 . . 1 . . . . 435 H CB . 17139 1 509 . 1 1 48 48 HIS N N 15 118.811 . . 1 . . . . 435 H N . 17139 1 510 . 1 1 49 49 GLY H H 1 8.651 . . 1 . . . . 436 G HN . 17139 1 511 . 1 1 49 49 GLY HA2 H 1 4.204 . . 2 . . . . 436 G HA1 . 17139 1 512 . 1 1 49 49 GLY HA3 H 1 3.620 . . 2 . . . . 436 G HA2 . 17139 1 513 . 1 1 49 49 GLY C C 13 174.134 . . 1 . . . . 436 G C . 17139 1 514 . 1 1 49 49 GLY CA C 13 45.140 . . 1 . . . . 436 G CA . 17139 1 515 . 1 1 49 49 GLY N N 15 112.481 . . 1 . . . . 436 G N . 17139 1 516 . 1 1 50 50 GLU H H 1 7.839 . . 1 . . . . 437 E HN . 17139 1 517 . 1 1 50 50 GLU HA H 1 4.369 . . 1 . . . . 437 E HA . 17139 1 518 . 1 1 50 50 GLU HB2 H 1 1.889 . . 2 . . . . 437 E QB . 17139 1 519 . 1 1 50 50 GLU HB3 H 1 1.889 . . 2 . . . . 437 E QB . 17139 1 520 . 1 1 50 50 GLU HG2 H 1 2.204 . . 2 . . . . 437 E QG . 17139 1 521 . 1 1 50 50 GLU HG3 H 1 2.204 . . 2 . . . . 437 E QG . 17139 1 522 . 1 1 50 50 GLU C C 13 175.418 . . 1 . . . . 437 E C . 17139 1 523 . 1 1 50 50 GLU CA C 13 55.918 . . 1 . . . . 437 E CA . 17139 1 524 . 1 1 50 50 GLU CB C 13 30.653 . . 1 . . . . 437 E CB . 17139 1 525 . 1 1 50 50 GLU CG C 13 37.178 . . 1 . . . . 437 E CG . 17139 1 526 . 1 1 50 50 GLU N N 15 120.002 . . 1 . . . . 437 E N . 17139 1 527 . 1 1 51 51 ASN H H 1 8.629 . . 1 . . . . 438 N HN . 17139 1 528 . 1 1 51 51 ASN HA H 1 4.713 . . 1 . . . . 438 N HA . 17139 1 529 . 1 1 51 51 ASN HB2 H 1 2.782 . . 2 . . . . 438 N HB2 . 17139 1 530 . 1 1 51 51 ASN HB3 H 1 2.673 . . 2 . . . . 438 N HB3 . 17139 1 531 . 1 1 51 51 ASN C C 13 174.050 . . 1 . . . . 438 N C . 17139 1 532 . 1 1 51 51 ASN CA C 13 52.694 . . 1 . . . . 438 N CA . 17139 1 533 . 1 1 51 51 ASN CB C 13 39.798 . . 1 . . . . 438 N CB . 17139 1 534 . 1 1 51 51 ASN N N 15 119.655 . . 1 . . . . 438 N N . 17139 1 535 . 1 1 52 52 LEU H H 1 8.485 . . 1 . . . . 439 L HN . 17139 1 536 . 1 1 52 52 LEU HA H 1 4.352 . . 1 . . . . 439 L HA . 17139 1 537 . 1 1 52 52 LEU HB2 H 1 1.437 . . 2 . . . . 439 L HB2 . 17139 1 538 . 1 1 52 52 LEU HB3 H 1 1.122 . . 2 . . . . 439 L HB3 . 17139 1 539 . 1 1 52 52 LEU HD11 H 1 0.718 . . 2 . . . . 439 L QD1 . 17139 1 540 . 1 1 52 52 LEU HD12 H 1 0.718 . . 2 . . . . 439 L QD1 . 17139 1 541 . 1 1 52 52 LEU HD13 H 1 0.718 . . 2 . . . . 439 L QD1 . 17139 1 542 . 1 1 52 52 LEU HD21 H 1 0.448 . . 2 . . . . 439 L QD2 . 17139 1 543 . 1 1 52 52 LEU HD22 H 1 0.448 . . 2 . . . . 439 L QD2 . 17139 1 544 . 1 1 52 52 LEU HD23 H 1 0.448 . . 2 . . . . 439 L QD2 . 17139 1 545 . 1 1 52 52 LEU C C 13 174.832 . . 1 . . . . 439 L C . 17139 1 546 . 1 1 52 52 LEU CA C 13 54.370 . . 1 . . . . 439 L CA . 17139 1 547 . 1 1 52 52 LEU CB C 13 43.447 . . 1 . . . . 439 L CB . 17139 1 548 . 1 1 52 52 LEU CD1 C 13 23.508 . . 2 . . . . 439 L CD1 . 17139 1 549 . 1 1 52 52 LEU CD2 C 13 25.000 . . 2 . . . . 439 L CD2 . 17139 1 550 . 1 1 52 52 LEU N N 15 125.159 . . 1 . . . . 439 L N . 17139 1 551 . 1 1 53 53 LYS H H 1 8.714 . . 1 . . . . 440 K HN . 17139 1 552 . 1 1 53 53 LYS HA H 1 4.399 . . 1 . . . . 440 K HA . 17139 1 553 . 1 1 53 53 LYS HB2 H 1 1.814 . . 2 . . . . 440 K QB . 17139 1 554 . 1 1 53 53 LYS HB3 H 1 1.814 . . 2 . . . . 440 K QB . 17139 1 555 . 1 1 53 53 LYS C C 13 177.569 . . 1 . . . . 440 K C . 17139 1 556 . 1 1 53 53 LYS CA C 13 56.052 . . 1 . . . . 440 K CA . 17139 1 557 . 1 1 53 53 LYS CB C 13 30.484 . . 1 . . . . 440 K CB . 17139 1 558 . 1 1 53 53 LYS N N 15 125.385 . . 1 . . . . 440 K N . 17139 1 559 . 1 1 54 54 THR H H 1 8.100 . . 1 . . . . 441 T HN . 17139 1 560 . 1 1 54 54 THR HA H 1 3.111 . . 1 . . . . 441 T HA . 17139 1 561 . 1 1 54 54 THR HB H 1 3.633 . . 1 . . . . 441 T HB . 17139 1 562 . 1 1 54 54 THR HG21 H 1 -0.326 . . 1 . . . . 441 T QG2 . 17139 1 563 . 1 1 54 54 THR HG22 H 1 -0.326 . . 1 . . . . 441 T QG2 . 17139 1 564 . 1 1 54 54 THR HG23 H 1 -0.326 . . 1 . . . . 441 T QG2 . 17139 1 565 . 1 1 54 54 THR C C 13 176.675 . . 1 . . . . 441 T C . 17139 1 566 . 1 1 54 54 THR CA C 13 61.671 . . 1 . . . . 441 T CA . 17139 1 567 . 1 1 54 54 THR CB C 13 68.478 . . 1 . . . . 441 T CB . 17139 1 568 . 1 1 54 54 THR CG2 C 13 20.325 . . 1 . . . . 441 T CG2 . 17139 1 569 . 1 1 54 54 THR N N 15 113.488 . . 1 . . . . 441 T N . 17139 1 570 . 1 1 55 55 GLU H H 1 9.027 . . 1 . . . . 442 E HN . 17139 1 571 . 1 1 55 55 GLU HA H 1 4.198 . . 1 . . . . 442 E HA . 17139 1 572 . 1 1 55 55 GLU HB2 H 1 2.122 . . 2 . . . . 442 E QB . 17139 1 573 . 1 1 55 55 GLU HB3 H 1 2.122 . . 2 . . . . 442 E QB . 17139 1 574 . 1 1 55 55 GLU HG2 H 1 2.360 . . 2 . . . . 442 E HG2 . 17139 1 575 . 1 1 55 55 GLU HG3 H 1 2.287 . . 2 . . . . 442 E HG3 . 17139 1 576 . 1 1 55 55 GLU C C 13 177.541 . . 1 . . . . 442 E C . 17139 1 577 . 1 1 55 55 GLU CA C 13 59.779 . . 1 . . . . 442 E CA . 17139 1 578 . 1 1 55 55 GLU CB C 13 28.428 . . 1 . . . . 442 E CB . 17139 1 579 . 1 1 55 55 GLU CG C 13 36.642 . . 1 . . . . 442 E CG . 17139 1 580 . 1 1 55 55 GLU N N 15 124.738 . . 1 . . . . 442 E N . 17139 1 581 . 1 1 56 56 GLN H H 1 8.565 . . 1 . . . . 443 Q HN . 17139 1 582 . 1 1 56 56 GLN HA H 1 4.563 . . 1 . . . . 443 Q HA . 17139 1 583 . 1 1 56 56 GLN HB2 H 1 2.080 . . 2 . . . . 443 Q QB . 17139 1 584 . 1 1 56 56 GLN HB3 H 1 2.080 . . 2 . . . . 443 Q QB . 17139 1 585 . 1 1 56 56 GLN HG2 H 1 2.426 . . 2 . . . . 443 Q QG . 17139 1 586 . 1 1 56 56 GLN HG3 H 1 2.426 . . 2 . . . . 443 Q QG . 17139 1 587 . 1 1 56 56 GLN C C 13 176.396 . . 1 . . . . 443 Q C . 17139 1 588 . 1 1 56 56 GLN CA C 13 55.244 . . 1 . . . . 443 Q CA . 17139 1 589 . 1 1 56 56 GLN CB C 13 28.428 . . 1 . . . . 443 Q CB . 17139 1 590 . 1 1 56 56 GLN CG C 13 34.676 . . 1 . . . . 443 Q CG . 17139 1 591 . 1 1 56 56 GLN N N 15 115.007 . . 1 . . . . 443 Q N . 17139 1 592 . 1 1 57 57 TRP H H 1 8.100 . . 1 . . . . 444 W HN . 17139 1 593 . 1 1 57 57 TRP HA H 1 4.788 . . 1 . . . . 444 W HA . 17139 1 594 . 1 1 57 57 TRP HB2 H 1 3.448 . . 2 . . . . 444 W HB2 . 17139 1 595 . 1 1 57 57 TRP HB3 H 1 2.998 . . 2 . . . . 444 W HB3 . 17139 1 596 . 1 1 57 57 TRP HD1 H 1 7.046 . . 1 . . . . 444 W HD1 . 17139 1 597 . 1 1 57 57 TRP HE1 H 1 9.512 . . 1 . . . . 444 W HE1 . 17139 1 598 . 1 1 57 57 TRP HE3 H 1 6.993 . . 1 . . . . 444 W HE3 . 17139 1 599 . 1 1 57 57 TRP HH2 H 1 7.458 . . 1 . . . . 444 W HH2 . 17139 1 600 . 1 1 57 57 TRP HZ2 H 1 6.818 . . 1 . . . . 444 W HZ2 . 17139 1 601 . 1 1 57 57 TRP HZ3 H 1 6.760 . . 1 . . . . 444 W HZ3 . 17139 1 602 . 1 1 57 57 TRP C C 13 174.804 . . 1 . . . . 444 W C . 17139 1 603 . 1 1 57 57 TRP CA C 13 56.321 . . 1 . . . . 444 W CA . 17139 1 604 . 1 1 57 57 TRP CB C 13 27.729 . . 1 . . . . 444 W CB . 17139 1 605 . 1 1 57 57 TRP N N 15 122.193 . . 1 . . . . 444 W N . 17139 1 606 . 1 1 57 57 TRP NE1 N 15 126.361 . . 1 . . . . 444 W NE1 . 17139 1 607 . 1 1 58 58 PRO HA H 1 4.759 . . 1 . . . . 445 P HA . 17139 1 608 . 1 1 58 58 PRO HB2 H 1 2.218 . . 2 . . . . 445 P HB2 . 17139 1 609 . 1 1 58 58 PRO HB3 H 1 2.409 . . 2 . . . . 445 P HB3 . 17139 1 610 . 1 1 58 58 PRO HD2 H 1 3.741 . . 2 . . . . 445 P HD2 . 17139 1 611 . 1 1 58 58 PRO HD3 H 1 3.091 . . 2 . . . . 445 P HD3 . 17139 1 612 . 1 1 58 58 PRO HG2 H 1 1.828 . . 2 . . . . 445 P HG2 . 17139 1 613 . 1 1 58 58 PRO HG3 H 1 1.758 . . 2 . . . . 445 P HG3 . 17139 1 614 . 1 1 58 58 PRO CA C 13 62.211 . . 1 . . . . 445 P CA . 17139 1 615 . 1 1 58 58 PRO CB C 13 32.118 . . 1 . . . . 445 P CB . 17139 1 616 . 1 1 58 58 PRO CD C 13 50.050 . . 1 . . . . 445 P CD . 17139 1 617 . 1 1 58 58 PRO CG C 13 27.435 . . 1 . . . . 445 P CG . 17139 1 618 . 1 1 59 59 GLN H H 1 8.400 . . 1 . . . . 446 Q HN . 17139 1 619 . 1 1 59 59 GLN HA H 1 4.570 . . 1 . . . . 446 Q HA . 17139 1 620 . 1 1 59 59 GLN HB2 H 1 2.198 . . 2 . . . . 446 Q HB2 . 17139 1 621 . 1 1 59 59 GLN HB3 H 1 2.058 . . 2 . . . . 446 Q HB3 . 17139 1 622 . 1 1 59 59 GLN HG2 H 1 2.481 . . 2 . . . . 446 Q QG . 17139 1 623 . 1 1 59 59 GLN HG3 H 1 2.481 . . 2 . . . . 446 Q QG . 17139 1 624 . 1 1 59 59 GLN C C 13 175.027 . . 1 . . . . 446 Q C . 17139 1 625 . 1 1 59 59 GLN CA C 13 57.633 . . 1 . . . . 446 Q CA . 17139 1 626 . 1 1 59 59 GLN CB C 13 28.980 . . 1 . . . . 446 Q CB . 17139 1 627 . 1 1 59 59 GLN CG C 13 35.123 . . 1 . . . . 446 Q CG . 17139 1 628 . 1 1 59 59 GLN N N 15 116.077 . . 1 . . . . 446 Q N . 17139 1 629 . 1 1 60 60 LYS H H 1 7.478 . . 1 . . . . 447 K HN . 17139 1 630 . 1 1 60 60 LYS HA H 1 5.342 . . 1 . . . . 447 K HA . 17139 1 631 . 1 1 60 60 LYS HB2 H 1 1.636 . . 2 . . . . 447 K HB2 . 17139 1 632 . 1 1 60 60 LYS HB3 H 1 1.566 . . 2 . . . . 447 K HB3 . 17139 1 633 . 1 1 60 60 LYS HE2 H 1 2.806 . . 2 . . . . 447 K QE . 17139 1 634 . 1 1 60 60 LYS HE3 H 1 2.806 . . 2 . . . . 447 K QE . 17139 1 635 . 1 1 60 60 LYS HG2 H 1 1.219 . . 2 . . . . 447 K HG2 . 17139 1 636 . 1 1 60 60 LYS HG3 H 1 1.090 . . 2 . . . . 447 K HG3 . 17139 1 637 . 1 1 60 60 LYS C C 13 174.273 . . 1 . . . . 447 K C . 17139 1 638 . 1 1 60 60 LYS CA C 13 54.272 . . 1 . . . . 447 K CA . 17139 1 639 . 1 1 60 60 LYS CB C 13 34.255 . . 1 . . . . 447 K CB . 17139 1 640 . 1 1 60 60 LYS CG C 13 24.351 . . 1 . . . . 447 K CG . 17139 1 641 . 1 1 60 60 LYS N N 15 117.815 . . 1 . . . . 447 K N . 17139 1 642 . 1 1 61 61 LEU H H 1 9.049 . . 1 . . . . 448 L HN . 17139 1 643 . 1 1 61 61 LEU HA H 1 4.454 . . 1 . . . . 448 L HA . 17139 1 644 . 1 1 61 61 LEU HB2 H 1 1.648 . . 2 . . . . 448 L HB2 . 17139 1 645 . 1 1 61 61 LEU HB3 H 1 0.982 . . 2 . . . . 448 L HB3 . 17139 1 646 . 1 1 61 61 LEU HD11 H 1 0.070 . . 2 . . . . 448 L QD1 . 17139 1 647 . 1 1 61 61 LEU HD12 H 1 0.070 . . 2 . . . . 448 L QD1 . 17139 1 648 . 1 1 61 61 LEU HD13 H 1 0.070 . . 2 . . . . 448 L QD1 . 17139 1 649 . 1 1 61 61 LEU HD21 H 1 -0.074 . . 2 . . . . 448 L QD2 . 17139 1 650 . 1 1 61 61 LEU HD22 H 1 -0.074 . . 2 . . . . 448 L QD2 . 17139 1 651 . 1 1 61 61 LEU HD23 H 1 -0.074 . . 2 . . . . 448 L QD2 . 17139 1 652 . 1 1 61 61 LEU HG H 1 1.522 . . 1 . . . . 448 L HG . 17139 1 653 . 1 1 61 61 LEU C C 13 174.804 . . 1 . . . . 448 L C . 17139 1 654 . 1 1 61 61 LEU CA C 13 52.694 . . 1 . . . . 448 L CA . 17139 1 655 . 1 1 61 61 LEU CB C 13 42.732 . . 1 . . . . 448 L CB . 17139 1 656 . 1 1 61 61 LEU CD1 C 13 24.731 . . 2 . . . . 448 L CD1 . 17139 1 657 . 1 1 61 61 LEU CD2 C 13 21.160 . . 2 . . . . 448 L CD2 . 17139 1 658 . 1 1 61 61 LEU CG C 13 26.099 . . 1 . . . . 448 L CG . 17139 1 659 . 1 1 61 61 LEU N N 15 125.494 . . 1 . . . . 448 L N . 17139 1 660 . 1 1 62 62 ILE H H 1 8.371 . . 1 . . . . 449 I HN . 17139 1 661 . 1 1 62 62 ILE HA H 1 4.791 . . 1 . . . . 449 I HA . 17139 1 662 . 1 1 62 62 ILE HB H 1 1.828 . . 1 . . . . 449 I HB . 17139 1 663 . 1 1 62 62 ILE HD11 H 1 0.780 . . 1 . . . . 449 I QD1 . 17139 1 664 . 1 1 62 62 ILE HD12 H 1 0.780 . . 1 . . . . 449 I QD1 . 17139 1 665 . 1 1 62 62 ILE HD13 H 1 0.780 . . 1 . . . . 449 I QD1 . 17139 1 666 . 1 1 62 62 ILE HG12 H 1 1.423 . . 2 . . . . 449 I HG12 . 17139 1 667 . 1 1 62 62 ILE HG13 H 1 1.157 . . 2 . . . . 449 I HG13 . 17139 1 668 . 1 1 62 62 ILE HG21 H 1 0.866 . . 1 . . . . 449 I QG2 . 17139 1 669 . 1 1 62 62 ILE HG22 H 1 0.866 . . 1 . . . . 449 I QG2 . 17139 1 670 . 1 1 62 62 ILE HG23 H 1 0.866 . . 1 . . . . 449 I QG2 . 17139 1 671 . 1 1 62 62 ILE C C 13 175.027 . . 1 . . . . 449 I C . 17139 1 672 . 1 1 62 62 ILE CA C 13 59.779 . . 1 . . . . 449 I CA . 17139 1 673 . 1 1 62 62 ILE CB C 13 37.904 . . 1 . . . . 449 I CB . 17139 1 674 . 1 1 62 62 ILE CD1 C 13 12.645 . . 1 . . . . 449 I CD1 . 17139 1 675 . 1 1 62 62 ILE CG1 C 13 27.314 . . 1 . . . . 449 I CG1 . 17139 1 676 . 1 1 62 62 ILE CG2 C 13 17.666 . . 1 . . . . 449 I CG2 . 17139 1 677 . 1 1 62 62 ILE N N 15 122.240 . . 1 . . . . 449 I N . 17139 1 678 . 1 1 63 63 MET H H 1 9.374 . . 1 . . . . 450 M HN . 17139 1 679 . 1 1 63 63 MET HA H 1 5.049 . . 1 . . . . 450 M HA . 17139 1 680 . 1 1 63 63 MET HB2 H 1 2.204 . . 2 . . . . 450 M HB2 . 17139 1 681 . 1 1 63 63 MET HB3 H 1 1.618 . . 2 . . . . 450 M HB3 . 17139 1 682 . 1 1 63 63 MET HG2 H 1 2.053 . . 2 . . . . 450 M HG2 . 17139 1 683 . 1 1 63 63 MET HG3 H 1 1.937 . . 2 . . . . 450 M HG3 . 17139 1 684 . 1 1 63 63 MET CA C 13 54.033 . . 1 . . . . 450 M CA . 17139 1 685 . 1 1 63 63 MET CB C 13 37.116 . . 1 . . . . 450 M CB . 17139 1 686 . 1 1 63 63 MET CG C 13 32.173 . . 1 . . . . 450 M CG . 17139 1 687 . 1 1 63 63 MET N N 15 127.823 . . 1 . . . . 450 M N . 17139 1 688 . 1 1 64 64 GLN H H 1 8.906 . . 1 . . . . 451 Q HN . 17139 1 689 . 1 1 64 64 GLN HA H 1 4.713 . . 1 . . . . 451 Q HA . 17139 1 690 . 1 1 64 64 GLN HB2 H 1 2.163 . . 2 . . . . 451 Q HB2 . 17139 1 691 . 1 1 64 64 GLN HB3 H 1 2.065 . . 2 . . . . 451 Q HB3 . 17139 1 692 . 1 1 64 64 GLN HG2 H 1 2.465 . . 2 . . . . 451 Q HG2 . 17139 1 693 . 1 1 64 64 GLN HG3 H 1 2.382 . . 2 . . . . 451 Q HG3 . 17139 1 694 . 1 1 64 64 GLN C C 13 175.251 . . 1 . . . . 451 Q C . 17139 1 695 . 1 1 64 64 GLN CA C 13 54.239 . . 1 . . . . 451 Q CA . 17139 1 696 . 1 1 64 64 GLN CB C 13 30.842 . . 1 . . . . 451 Q CB . 17139 1 697 . 1 1 64 64 GLN CG C 13 34.318 . . 1 . . . . 451 Q CG . 17139 1 698 . 1 1 64 64 GLN N N 15 124.742 . . 1 . . . . 451 Q N . 17139 1 699 . 1 1 65 65 LEU H H 1 9.024 . . 1 . . . . 452 L HN . 17139 1 700 . 1 1 65 65 LEU HA H 1 5.087 . . 1 . . . . 452 L HA . 17139 1 701 . 1 1 65 65 LEU HB2 H 1 1.845 . . 2 . . . . 452 L HB2 . 17139 1 702 . 1 1 65 65 LEU HB3 H 1 1.154 . . 2 . . . . 452 L HB3 . 17139 1 703 . 1 1 65 65 LEU HD11 H 1 0.549 . . 2 . . . . 452 L QD1 . 17139 1 704 . 1 1 65 65 LEU HD12 H 1 0.549 . . 2 . . . . 452 L QD1 . 17139 1 705 . 1 1 65 65 LEU HD13 H 1 0.549 . . 2 . . . . 452 L QD1 . 17139 1 706 . 1 1 65 65 LEU HD21 H 1 0.713 . . 2 . . . . 452 L QD2 . 17139 1 707 . 1 1 65 65 LEU HD22 H 1 0.713 . . 2 . . . . 452 L QD2 . 17139 1 708 . 1 1 65 65 LEU HD23 H 1 0.713 . . 2 . . . . 452 L QD2 . 17139 1 709 . 1 1 65 65 LEU HG H 1 1.568 . . 1 . . . . 452 L HG . 17139 1 710 . 1 1 65 65 LEU C C 13 176.787 . . 1 . . . . 452 L C . 17139 1 711 . 1 1 65 65 LEU CA C 13 54.642 . . 1 . . . . 452 L CA . 17139 1 712 . 1 1 65 65 LEU CB C 13 41.659 . . 1 . . . . 452 L CB . 17139 1 713 . 1 1 65 65 LEU CD1 C 13 23.591 . . 2 . . . . 452 L CD1 . 17139 1 714 . 1 1 65 65 LEU CD2 C 13 25.719 . . 2 . . . . 452 L CD2 . 17139 1 715 . 1 1 65 65 LEU CG C 13 28.329 . . 1 . . . . 452 L CG . 17139 1 716 . 1 1 65 65 LEU N N 15 126.535 . . 1 . . . . 452 L N . 17139 1 717 . 1 1 66 66 ILE H H 1 9.286 . . 1 . . . . 453 I HN . 17139 1 718 . 1 1 66 66 ILE HA H 1 4.954 . . 1 . . . . 453 I HA . 17139 1 719 . 1 1 66 66 ILE HB H 1 1.739 . . 1 . . . . 453 I HB . 17139 1 720 . 1 1 66 66 ILE HD11 H 1 0.716 . . 1 . . . . 453 I QD1 . 17139 1 721 . 1 1 66 66 ILE HD12 H 1 0.716 . . 1 . . . . 453 I QD1 . 17139 1 722 . 1 1 66 66 ILE HD13 H 1 0.716 . . 1 . . . . 453 I QD1 . 17139 1 723 . 1 1 66 66 ILE HG12 H 1 1.461 . . 2 . . . . 453 I HG12 . 17139 1 724 . 1 1 66 66 ILE HG13 H 1 1.138 . . 2 . . . . 453 I HG13 . 17139 1 725 . 1 1 66 66 ILE HG21 H 1 0.890 . . 1 . . . . 453 I QG2 . 17139 1 726 . 1 1 66 66 ILE HG22 H 1 0.890 . . 1 . . . . 453 I QG2 . 17139 1 727 . 1 1 66 66 ILE HG23 H 1 0.890 . . 1 . . . . 453 I QG2 . 17139 1 728 . 1 1 66 66 ILE C C 13 172.737 . . 1 . . . . 453 I C . 17139 1 729 . 1 1 66 66 ILE CA C 13 57.294 . . 1 . . . . 453 I CA . 17139 1 730 . 1 1 66 66 ILE CB C 13 41.480 . . 1 . . . . 453 I CB . 17139 1 731 . 1 1 66 66 ILE CD1 C 13 13.458 . . 1 . . . . 453 I CD1 . 17139 1 732 . 1 1 66 66 ILE CG1 C 13 26.297 . . 1 . . . . 453 I CG1 . 17139 1 733 . 1 1 66 66 ILE N N 15 121.385 . . 1 . . . . 453 I N . 17139 1 734 . 1 1 67 67 PRO HA H 1 3.952 . . 1 . . . . 454 P HA . 17139 1 735 . 1 1 67 67 PRO HB2 H 1 1.926 . . 2 . . . . 454 P QB . 17139 1 736 . 1 1 67 67 PRO HB3 H 1 1.926 . . 2 . . . . 454 P QB . 17139 1 737 . 1 1 67 67 PRO HD2 H 1 3.940 . . 2 . . . . 454 P HD2 . 17139 1 738 . 1 1 67 67 PRO HD3 H 1 3.453 . . 2 . . . . 454 P HD3 . 17139 1 739 . 1 1 67 67 PRO CA C 13 63.152 . . 1 . . . . 454 P CA . 17139 1 740 . 1 1 67 67 PRO CB C 13 31.168 . . 1 . . . . 454 P CB . 17139 1 741 . 1 1 67 67 PRO CD C 13 51.391 . . 1 . . . . 454 P CD . 17139 1 742 . 1 1 67 67 PRO CG C 13 28.508 . . 1 . . . . 454 P CG . 17139 1 743 . 1 1 68 68 GLN H H 1 8.704 . . 1 . . . . 455 Q HN . 17139 1 744 . 1 1 68 68 GLN HA H 1 3.699 . . 1 . . . . 455 Q HA . 17139 1 745 . 1 1 68 68 GLN HB2 H 1 2.144 . . 2 . . . . 455 Q HB2 . 17139 1 746 . 1 1 68 68 GLN HB3 H 1 1.883 . . 2 . . . . 455 Q HB3 . 17139 1 747 . 1 1 68 68 GLN HG2 H 1 2.271 . . 2 . . . . 455 Q QG . 17139 1 748 . 1 1 68 68 GLN HG3 H 1 2.271 . . 2 . . . . 455 Q QG . 17139 1 749 . 1 1 68 68 GLN C C 13 178.463 . . 1 . . . . 455 Q C . 17139 1 750 . 1 1 68 68 GLN CA C 13 59.349 . . 1 . . . . 455 Q CA . 17139 1 751 . 1 1 68 68 GLN CB C 13 27.802 . . 1 . . . . 455 Q CB . 17139 1 752 . 1 1 68 68 GLN CG C 13 34.318 . . 1 . . . . 455 Q CG . 17139 1 753 . 1 1 68 68 GLN N N 15 124.612 . . 1 . . . . 455 Q N . 17139 1 754 . 1 1 69 69 GLN H H 1 8.968 . . 1 . . . . 456 Q HN . 17139 1 755 . 1 1 69 69 GLN HA H 1 4.069 . . 1 . . . . 456 Q HA . 17139 1 756 . 1 1 69 69 GLN HB2 H 1 2.055 . . 2 . . . . 456 Q HB2 . 17139 1 757 . 1 1 69 69 GLN HB3 H 1 1.960 . . 2 . . . . 456 Q HB3 . 17139 1 758 . 1 1 69 69 GLN HG2 H 1 2.374 . . 2 . . . . 456 Q QG . 17139 1 759 . 1 1 69 69 GLN HG3 H 1 2.374 . . 2 . . . . 456 Q QG . 17139 1 760 . 1 1 69 69 GLN C C 13 177.653 . . 1 . . . . 456 Q C . 17139 1 761 . 1 1 69 69 GLN CA C 13 58.340 . . 1 . . . . 456 Q CA . 17139 1 762 . 1 1 69 69 GLN CB C 13 27.802 . . 1 . . . . 456 Q CB . 17139 1 763 . 1 1 69 69 GLN CG C 13 33.782 . . 1 . . . . 456 Q CG . 17139 1 764 . 1 1 69 69 GLN N N 15 118.078 . . 1 . . . . 456 Q N . 17139 1 765 . 1 1 70 70 LEU H H 1 7.394 . . 1 . . . . 457 L HN . 17139 1 766 . 1 1 70 70 LEU HA H 1 4.152 . . 1 . . . . 457 L HA . 17139 1 767 . 1 1 70 70 LEU HB2 H 1 1.640 . . 2 . . . . 457 L HB2 . 17139 1 768 . 1 1 70 70 LEU HB3 H 1 1.468 . . 2 . . . . 457 L HB3 . 17139 1 769 . 1 1 70 70 LEU HD11 H 1 0.748 . . 2 . . . . 457 L QD1 . 17139 1 770 . 1 1 70 70 LEU HD12 H 1 0.748 . . 2 . . . . 457 L QD1 . 17139 1 771 . 1 1 70 70 LEU HD13 H 1 0.748 . . 2 . . . . 457 L QD1 . 17139 1 772 . 1 1 70 70 LEU HD21 H 1 0.719 . . 2 . . . . 457 L QD2 . 17139 1 773 . 1 1 70 70 LEU HD22 H 1 0.719 . . 2 . . . . 457 L QD2 . 17139 1 774 . 1 1 70 70 LEU HD23 H 1 0.719 . . 2 . . . . 457 L QD2 . 17139 1 775 . 1 1 70 70 LEU C C 13 178.239 . . 1 . . . . 457 L C . 17139 1 776 . 1 1 70 70 LEU CA C 13 56.354 . . 1 . . . . 457 L CA . 17139 1 777 . 1 1 70 70 LEU CB C 13 40.755 . . 1 . . . . 457 L CB . 17139 1 778 . 1 1 70 70 LEU CD1 C 13 24.587 . . 2 . . . . 457 L CD1 . 17139 1 779 . 1 1 70 70 LEU CD2 C 13 22.449 . . 2 . . . . 457 L CD2 . 17139 1 780 . 1 1 70 70 LEU N N 15 116.864 . . 1 . . . . 457 L N . 17139 1 781 . 1 1 71 71 LEU H H 1 7.584 . . 1 . . . . 458 L HN . 17139 1 782 . 1 1 71 71 LEU HA H 1 4.067 . . 1 . . . . 458 L HA . 17139 1 783 . 1 1 71 71 LEU HB2 H 1 1.809 . . 2 . . . . 458 L HB2 . 17139 1 784 . 1 1 71 71 LEU HB3 H 1 1.484 . . 2 . . . . 458 L HB3 . 17139 1 785 . 1 1 71 71 LEU HD11 H 1 0.690 . . 2 . . . . 458 L QD1 . 17139 1 786 . 1 1 71 71 LEU HD12 H 1 0.690 . . 2 . . . . 458 L QD1 . 17139 1 787 . 1 1 71 71 LEU HD13 H 1 0.690 . . 2 . . . . 458 L QD1 . 17139 1 788 . 1 1 71 71 LEU HD21 H 1 0.740 . . 2 . . . . 458 L QD2 . 17139 1 789 . 1 1 71 71 LEU HD22 H 1 0.740 . . 2 . . . . 458 L QD2 . 17139 1 790 . 1 1 71 71 LEU HD23 H 1 0.740 . . 2 . . . . 458 L QD2 . 17139 1 791 . 1 1 71 71 LEU C C 13 178.910 . . 1 . . . . 458 L C . 17139 1 792 . 1 1 71 71 LEU CA C 13 56.018 . . 1 . . . . 458 L CA . 17139 1 793 . 1 1 71 71 LEU CB C 13 40.576 . . 1 . . . . 458 L CB . 17139 1 794 . 1 1 71 71 LEU CD1 C 13 23.015 . . 2 . . . . 458 L CD1 . 17139 1 795 . 1 1 71 71 LEU CD2 C 13 25.724 . . 2 . . . . 458 L CD2 . 17139 1 796 . 1 1 71 71 LEU N N 15 115.876 . . 1 . . . . 458 L N . 17139 1 797 . 1 1 72 72 THR H H 1 7.566 . . 1 . . . . 459 T HN . 17139 1 798 . 1 1 72 72 THR HA H 1 3.905 . . 1 . . . . 459 T HA . 17139 1 799 . 1 1 72 72 THR HB H 1 4.263 . . 1 . . . . 459 T HB . 17139 1 800 . 1 1 72 72 THR HG21 H 1 1.303 . . 1 . . . . 459 T QG2 . 17139 1 801 . 1 1 72 72 THR HG22 H 1 1.303 . . 1 . . . . 459 T QG2 . 17139 1 802 . 1 1 72 72 THR HG23 H 1 1.303 . . 1 . . . . 459 T QG2 . 17139 1 803 . 1 1 72 72 THR C C 13 177.178 . . 1 . . . . 459 T C . 17139 1 804 . 1 1 72 72 THR CA C 13 65.823 . . 1 . . . . 459 T CA . 17139 1 805 . 1 1 72 72 THR CB C 13 68.647 . . 1 . . . . 459 T CB . 17139 1 806 . 1 1 72 72 THR N N 15 112.928 . . 1 . . . . 459 T N . 17139 1 807 . 1 1 73 73 THR H H 1 7.787 . . 1 . . . . 460 T HN . 17139 1 808 . 1 1 73 73 THR HA H 1 4.204 . . 1 . . . . 460 T HA . 17139 1 809 . 1 1 73 73 THR HG21 H 1 1.264 . . 1 . . . . 460 T QG2 . 17139 1 810 . 1 1 73 73 THR HG22 H 1 1.264 . . 1 . . . . 460 T QG2 . 17139 1 811 . 1 1 73 73 THR HG23 H 1 1.264 . . 1 . . . . 460 T QG2 . 17139 1 812 . 1 1 73 73 THR C C 13 175.139 . . 1 . . . . 460 T C . 17139 1 813 . 1 1 73 73 THR CA C 13 63.892 . . 1 . . . . 460 T CA . 17139 1 814 . 1 1 73 73 THR CB C 13 68.647 . . 1 . . . . 460 T CB . 17139 1 815 . 1 1 73 73 THR N N 15 113.093 . . 1 . . . . 460 T N . 17139 1 816 . 1 1 74 74 LEU H H 1 7.572 . . 1 . . . . 461 L HN . 17139 1 817 . 1 1 74 74 LEU HA H 1 4.368 . . 1 . . . . 461 L HA . 17139 1 818 . 1 1 74 74 LEU HB2 H 1 1.892 . . 2 . . . . 461 L HB2 . 17139 1 819 . 1 1 74 74 LEU HB3 H 1 1.635 . . 2 . . . . 461 L HB3 . 17139 1 820 . 1 1 74 74 LEU HD11 H 1 0.603 . . 2 . . . . 461 L QD1 . 17139 1 821 . 1 1 74 74 LEU HD12 H 1 0.603 . . 2 . . . . 461 L QD1 . 17139 1 822 . 1 1 74 74 LEU HD13 H 1 0.603 . . 2 . . . . 461 L QD1 . 17139 1 823 . 1 1 74 74 LEU HD21 H 1 0.596 . . 2 . . . . 461 L QD2 . 17139 1 824 . 1 1 74 74 LEU HD22 H 1 0.596 . . 2 . . . . 461 L QD2 . 17139 1 825 . 1 1 74 74 LEU HD23 H 1 0.596 . . 2 . . . . 461 L QD2 . 17139 1 826 . 1 1 74 74 LEU C C 13 177.374 . . 1 . . . . 461 L C . 17139 1 827 . 1 1 74 74 LEU CA C 13 54.776 . . 1 . . . . 461 L CA . 17139 1 828 . 1 1 74 74 LEU CB C 13 41.291 . . 1 . . . . 461 L CB . 17139 1 829 . 1 1 74 74 LEU CD1 C 13 22.547 . . 2 . . . . 461 L CD1 . 17139 1 830 . 1 1 74 74 LEU CD2 C 13 26.000 . . 2 . . . . 461 L CD2 . 17139 1 831 . 1 1 74 74 LEU N N 15 119.543 . . 1 . . . . 461 L N . 17139 1 832 . 1 1 75 75 GLY H H 1 7.735 . . 1 . . . . 462 G HN . 17139 1 833 . 1 1 75 75 GLY HA2 H 1 4.159 . . 2 . . . . 462 G HA1 . 17139 1 834 . 1 1 75 75 GLY HA3 H 1 3.620 . . 2 . . . . 462 G HA2 . 17139 1 835 . 1 1 75 75 GLY C C 13 173.352 . . 1 . . . . 462 G C . 17139 1 836 . 1 1 75 75 GLY CA C 13 47.389 . . 1 . . . . 462 G CA . 17139 1 837 . 1 1 75 75 GLY N N 15 107.511 . . 1 . . . . 462 G N . 17139 1 838 . 1 1 76 76 PRO HA H 1 4.275 . . 1 . . . . 463 P HA . 17139 1 839 . 1 1 76 76 PRO HB2 H 1 2.009 . . 2 . . . . 463 P QB . 17139 1 840 . 1 1 76 76 PRO HB3 H 1 2.009 . . 2 . . . . 463 P QB . 17139 1 841 . 1 1 76 76 PRO HD2 H 1 3.689 . . 2 . . . . 463 P QD . 17139 1 842 . 1 1 76 76 PRO HD3 H 1 3.689 . . 2 . . . . 463 P QD . 17139 1 843 . 1 1 76 76 PRO HG2 H 1 2.346 . . 2 . . . . 463 P QG . 17139 1 844 . 1 1 76 76 PRO HG3 H 1 2.346 . . 2 . . . . 463 P QG . 17139 1 845 . 1 1 76 76 PRO CA C 13 65.137 . . 1 . . . . 463 P CA . 17139 1 846 . 1 1 76 76 PRO CB C 13 32.352 . . 1 . . . . 463 P CB . 17139 1 847 . 1 1 76 76 PRO CD C 13 51.391 . . 1 . . . . 463 P CD . 17139 1 848 . 1 1 76 76 PRO CG C 13 28.150 . . 1 . . . . 463 P CG . 17139 1 849 . 1 1 77 77 LEU H H 1 7.786 . . 1 . . . . 464 L HN . 17139 1 850 . 1 1 77 77 LEU HA H 1 4.285 . . 1 . . . . 464 L HA . 17139 1 851 . 1 1 77 77 LEU HB2 H 1 1.936 . . 2 . . . . 464 L HB2 . 17139 1 852 . 1 1 77 77 LEU HB3 H 1 1.799 . . 2 . . . . 464 L HB3 . 17139 1 853 . 1 1 77 77 LEU HD11 H 1 0.907 . . 2 . . . . 464 L QD1 . 17139 1 854 . 1 1 77 77 LEU HD12 H 1 0.907 . . 2 . . . . 464 L QD1 . 17139 1 855 . 1 1 77 77 LEU HD13 H 1 0.907 . . 2 . . . . 464 L QD1 . 17139 1 856 . 1 1 77 77 LEU HD21 H 1 0.876 . . 2 . . . . 464 L QD2 . 17139 1 857 . 1 1 77 77 LEU HD22 H 1 0.876 . . 2 . . . . 464 L QD2 . 17139 1 858 . 1 1 77 77 LEU HD23 H 1 0.876 . . 2 . . . . 464 L QD2 . 17139 1 859 . 1 1 77 77 LEU HG H 1 1.575 . . 1 . . . . 464 L HG . 17139 1 860 . 1 1 77 77 LEU C C 13 178.407 . . 1 . . . . 464 L C . 17139 1 861 . 1 1 77 77 LEU CA C 13 56.994 . . 1 . . . . 464 L CA . 17139 1 862 . 1 1 77 77 LEU CB C 13 42.033 . . 1 . . . . 464 L CB . 17139 1 863 . 1 1 77 77 LEU CD1 C 13 23.655 . . 2 . . . . 464 L CD1 . 17139 1 864 . 1 1 77 77 LEU CD2 C 13 25.608 . . 2 . . . . 464 L CD2 . 17139 1 865 . 1 1 77 77 LEU N N 15 116.168 . . 1 . . . . 464 L N . 17139 1 866 . 1 1 78 78 PHE H H 1 7.771 . . 1 . . . . 465 F HN . 17139 1 867 . 1 1 78 78 PHE HA H 1 4.384 . . 1 . . . . 465 F HA . 17139 1 868 . 1 1 78 78 PHE HB2 H 1 3.179 . . 2 . . . . 465 F HB2 . 17139 1 869 . 1 1 78 78 PHE HB3 H 1 3.023 . . 2 . . . . 465 F HB3 . 17139 1 870 . 1 1 78 78 PHE HD1 H 1 7.102 . . 3 . . . . 465 F QD . 17139 1 871 . 1 1 78 78 PHE HD2 H 1 7.102 . . 3 . . . . 465 F QD . 17139 1 872 . 1 1 78 78 PHE HE1 H 1 7.143 . . 3 . . . . 465 F QE . 17139 1 873 . 1 1 78 78 PHE HE2 H 1 7.143 . . 3 . . . . 465 F QE . 17139 1 874 . 1 1 78 78 PHE C C 13 176.619 . . 1 . . . . 465 F C . 17139 1 875 . 1 1 78 78 PHE CA C 13 58.436 . . 1 . . . . 465 F CA . 17139 1 876 . 1 1 78 78 PHE CB C 13 39.056 . . 1 . . . . 465 F CB . 17139 1 877 . 1 1 78 78 PHE N N 15 114.710 . . 1 . . . . 465 F N . 17139 1 878 . 1 1 79 79 ARG H H 1 7.759 . . 1 . . . . 466 R HN . 17139 1 879 . 1 1 79 79 ARG HA H 1 3.982 . . 1 . . . . 466 R HA . 17139 1 880 . 1 1 79 79 ARG HB2 H 1 1.789 . . 2 . . . . 466 R QB . 17139 1 881 . 1 1 79 79 ARG HB3 H 1 1.789 . . 2 . . . . 466 R QB . 17139 1 882 . 1 1 79 79 ARG HD2 H 1 3.160 . . 2 . . . . 466 R QD . 17139 1 883 . 1 1 79 79 ARG HD3 H 1 3.160 . . 2 . . . . 466 R QD . 17139 1 884 . 1 1 79 79 ARG HG2 H 1 1.626 . . 2 . . . . 466 R QG . 17139 1 885 . 1 1 79 79 ARG HG3 H 1 1.626 . . 2 . . . . 466 R QG . 17139 1 886 . 1 1 79 79 ARG C C 13 176.759 . . 1 . . . . 466 R C . 17139 1 887 . 1 1 79 79 ARG CA C 13 58.335 . . 1 . . . . 466 R CA . 17139 1 888 . 1 1 79 79 ARG CB C 13 29.938 . . 1 . . . . 466 R CB . 17139 1 889 . 1 1 79 79 ARG CG C 13 27.972 . . 1 . . . . 466 R CG . 17139 1 890 . 1 1 79 79 ARG N N 15 119.339 . . 1 . . . . 466 R N . 17139 1 891 . 1 1 80 80 ASN H H 1 7.951 . . 1 . . . . 467 N HN . 17139 1 892 . 1 1 80 80 ASN HA H 1 4.983 . . 1 . . . . 467 N HA . 17139 1 893 . 1 1 80 80 ASN HB2 H 1 2.997 . . 2 . . . . 467 N HB2 . 17139 1 894 . 1 1 80 80 ASN HB3 H 1 2.762 . . 2 . . . . 467 N HB3 . 17139 1 895 . 1 1 80 80 ASN C C 13 173.854 . . 1 . . . . 467 N C . 17139 1 896 . 1 1 80 80 ASN CA C 13 52.149 . . 1 . . . . 467 N CA . 17139 1 897 . 1 1 80 80 ASN CB C 13 37.205 . . 1 . . . . 467 N CB . 17139 1 898 . 1 1 80 80 ASN N N 15 117.802 . . 1 . . . . 467 N N . 17139 1 899 . 1 1 81 81 SER H H 1 7.696 . . 1 . . . . 468 S HN . 17139 1 900 . 1 1 81 81 SER HA H 1 4.578 . . 1 . . . . 468 S HA . 17139 1 901 . 1 1 81 81 SER HB2 H 1 3.374 . . 2 . . . . 468 S HB2 . 17139 1 902 . 1 1 81 81 SER HB3 H 1 3.301 . . 2 . . . . 468 S HB3 . 17139 1 903 . 1 1 81 81 SER C C 13 172.765 . . 1 . . . . 468 S C . 17139 1 904 . 1 1 81 81 SER CA C 13 58.335 . . 1 . . . . 468 S CA . 17139 1 905 . 1 1 81 81 SER CB C 13 66.974 . . 1 . . . . 468 S CB . 17139 1 906 . 1 1 81 81 SER N N 15 116.887 . . 1 . . . . 468 S N . 17139 1 907 . 1 1 82 82 ARG H H 1 7.786 . . 1 . . . . 469 R HN . 17139 1 908 . 1 1 82 82 ARG HA H 1 4.526 . . 1 . . . . 469 R HA . 17139 1 909 . 1 1 82 82 ARG HB2 H 1 1.633 . . 2 . . . . 469 R HB2 . 17139 1 910 . 1 1 82 82 ARG HB3 H 1 1.759 . . 2 . . . . 469 R HB3 . 17139 1 911 . 1 1 82 82 ARG HD2 H 1 3.192 . . 2 . . . . 469 R HD2 . 17139 1 912 . 1 1 82 82 ARG HD3 H 1 3.036 . . 2 . . . . 469 R HD3 . 17139 1 913 . 1 1 82 82 ARG HG2 H 1 1.568 . . 2 . . . . 469 R QG . 17139 1 914 . 1 1 82 82 ARG HG3 H 1 1.568 . . 2 . . . . 469 R QG . 17139 1 915 . 1 1 82 82 ARG C C 13 174.999 . . 1 . . . . 469 R C . 17139 1 916 . 1 1 82 82 ARG CA C 13 54.975 . . 1 . . . . 469 R CA . 17139 1 917 . 1 1 82 82 ARG CB C 13 31.547 . . 1 . . . . 469 R CB . 17139 1 918 . 1 1 82 82 ARG CD C 13 44.240 . . 1 . . . . 469 R CD . 17139 1 919 . 1 1 82 82 ARG CG C 13 27.614 . . 1 . . . . 469 R CG . 17139 1 920 . 1 1 82 82 ARG N N 15 121.822 . . 1 . . . . 469 R N . 17139 1 921 . 1 1 83 83 MET H H 1 8.889 . . 1 . . . . 470 M HN . 17139 1 922 . 1 1 83 83 MET HA H 1 5.521 . . 1 . . . . 470 M HA . 17139 1 923 . 1 1 83 83 MET HB2 H 1 2.016 . . 2 . . . . 470 M QB . 17139 1 924 . 1 1 83 83 MET HB3 H 1 2.016 . . 2 . . . . 470 M QB . 17139 1 925 . 1 1 83 83 MET HG2 H 1 2.620 . . 2 . . . . 470 M HG2 . 17139 1 926 . 1 1 83 83 MET HG3 H 1 2.470 . . 2 . . . . 470 M HG3 . 17139 1 927 . 1 1 83 83 MET C C 13 175.977 . . 1 . . . . 470 M C . 17139 1 928 . 1 1 83 83 MET CA C 13 54.944 . . 1 . . . . 470 M CA . 17139 1 929 . 1 1 83 83 MET CB C 13 34.504 . . 1 . . . . 470 M CB . 17139 1 930 . 1 1 83 83 MET CG C 13 32.620 . . 1 . . . . 470 M CG . 17139 1 931 . 1 1 83 83 MET N N 15 124.438 . . 1 . . . . 470 M N . 17139 1 932 . 1 1 84 84 VAL H H 1 9.432 . . 1 . . . . 471 V HN . 17139 1 933 . 1 1 84 84 VAL HA H 1 4.855 . . 1 . . . . 471 V HA . 17139 1 934 . 1 1 84 84 VAL HB H 1 2.160 . . 1 . . . . 471 V HB . 17139 1 935 . 1 1 84 84 VAL HG11 H 1 0.779 . . 2 . . . . 471 V QG1 . 17139 1 936 . 1 1 84 84 VAL HG12 H 1 0.779 . . 2 . . . . 471 V QG1 . 17139 1 937 . 1 1 84 84 VAL HG13 H 1 0.779 . . 2 . . . . 471 V QG1 . 17139 1 938 . 1 1 84 84 VAL HG21 H 1 0.765 . . 2 . . . . 471 V QG2 . 17139 1 939 . 1 1 84 84 VAL HG22 H 1 0.765 . . 2 . . . . 471 V QG2 . 17139 1 940 . 1 1 84 84 VAL HG23 H 1 0.765 . . 2 . . . . 471 V QG2 . 17139 1 941 . 1 1 84 84 VAL C C 13 174.050 . . 1 . . . . 471 V C . 17139 1 942 . 1 1 84 84 VAL CA C 13 59.013 . . 1 . . . . 471 V CA . 17139 1 943 . 1 1 84 84 VAL CB C 13 33.524 . . 1 . . . . 471 V CB . 17139 1 944 . 1 1 84 84 VAL CG1 C 13 18.944 . . 2 . . . . 471 V CG1 . 17139 1 945 . 1 1 84 84 VAL CG2 C 13 22.430 . . 2 . . . . 471 V CG2 . 17139 1 946 . 1 1 84 84 VAL N N 15 118.402 . . 1 . . . . 471 V N . 17139 1 947 . 1 1 85 85 GLN H H 1 8.748 . . 1 . . . . 472 Q HN . 17139 1 948 . 1 1 85 85 GLN HA H 1 5.281 . . 1 . . . . 472 Q HA . 17139 1 949 . 1 1 85 85 GLN HB2 H 1 1.979 . . 2 . . . . 472 Q QB . 17139 1 950 . 1 1 85 85 GLN HB3 H 1 1.979 . . 2 . . . . 472 Q QB . 17139 1 951 . 1 1 85 85 GLN HG2 H 1 2.640 . . 2 . . . . 472 Q HG2 . 17139 1 952 . 1 1 85 85 GLN HG3 H 1 2.288 . . 2 . . . . 472 Q HG3 . 17139 1 953 . 1 1 85 85 GLN C C 13 175.418 . . 1 . . . . 472 Q C . 17139 1 954 . 1 1 85 85 GLN CA C 13 55.280 . . 1 . . . . 472 Q CA . 17139 1 955 . 1 1 85 85 GLN CB C 13 30.842 . . 1 . . . . 472 Q CB . 17139 1 956 . 1 1 85 85 GLN CG C 13 33.961 . . 1 . . . . 472 Q CG . 17139 1 957 . 1 1 85 85 GLN N N 15 122.104 . . 1 . . . . 472 Q N . 17139 1 958 . 1 1 86 86 PHE H H 1 8.595 . . 1 . . . . 473 F HN . 17139 1 959 . 1 1 86 86 PHE HA H 1 5.107 . . 1 . . . . 473 F HA . 17139 1 960 . 1 1 86 86 PHE HB2 H 1 2.903 . . 2 . . . . 473 F HB2 . 17139 1 961 . 1 1 86 86 PHE HB3 H 1 2.285 . . 2 . . . . 473 F HB3 . 17139 1 962 . 1 1 86 86 PHE HD1 H 1 6.902 . . 3 . . . . 473 F QD . 17139 1 963 . 1 1 86 86 PHE HD2 H 1 6.902 . . 3 . . . . 473 F QD . 17139 1 964 . 1 1 86 86 PHE HE1 H 1 6.695 . . 3 . . . . 473 F QE . 17139 1 965 . 1 1 86 86 PHE HE2 H 1 6.695 . . 3 . . . . 473 F QE . 17139 1 966 . 1 1 86 86 PHE C C 13 174.469 . . 1 . . . . 473 F C . 17139 1 967 . 1 1 86 86 PHE CA C 13 57.532 . . 1 . . . . 473 F CA . 17139 1 968 . 1 1 86 86 PHE CB C 13 41.838 . . 1 . . . . 473 F CB . 17139 1 969 . 1 1 86 86 PHE N N 15 126.706 . . 1 . . . . 473 F N . 17139 1 970 . 1 1 87 87 HIS H H 1 9.347 . . 1 . . . . 474 H HN . 17139 1 971 . 1 1 87 87 HIS HA H 1 4.972 . . 1 . . . . 474 H HA . 17139 1 972 . 1 1 87 87 HIS HB2 H 1 3.193 . . 2 . . . . 474 H HB2 . 17139 1 973 . 1 1 87 87 HIS HB3 H 1 2.856 . . 2 . . . . 474 H HB3 . 17139 1 974 . 1 1 87 87 HIS C C 13 173.016 . . 1 . . . . 474 H C . 17139 1 975 . 1 1 87 87 HIS CA C 13 55.414 . . 1 . . . . 474 H CA . 17139 1 976 . 1 1 87 87 HIS CB C 13 33.881 . . 1 . . . . 474 H CB . 17139 1 977 . 1 1 87 87 HIS N N 15 122.099 . . 1 . . . . 474 H N . 17139 1 978 . 1 1 88 88 PHE H H 1 8.442 . . 1 . . . . 475 F HN . 17139 1 979 . 1 1 88 88 PHE HA H 1 4.912 . . 1 . . . . 475 F HA . 17139 1 980 . 1 1 88 88 PHE HB2 H 1 2.602 . . 2 . . . . 475 F HB2 . 17139 1 981 . 1 1 88 88 PHE HB3 H 1 3.186 . . 2 . . . . 475 F HB3 . 17139 1 982 . 1 1 88 88 PHE HD1 H 1 7.069 . . 3 . . . . 475 F QD . 17139 1 983 . 1 1 88 88 PHE HD2 H 1 7.069 . . 3 . . . . 475 F QD . 17139 1 984 . 1 1 88 88 PHE HE1 H 1 6.395 . . 3 . . . . 475 F QE . 17139 1 985 . 1 1 88 88 PHE HE2 H 1 6.395 . . 3 . . . . 475 F QE . 17139 1 986 . 1 1 88 88 PHE HZ H 1 6.303 . . 1 . . . . 475 F HZ . 17139 1 987 . 1 1 88 88 PHE C C 13 175.726 . . 1 . . . . 475 F C . 17139 1 988 . 1 1 88 88 PHE CA C 13 57.532 . . 1 . . . . 475 F CA . 17139 1 989 . 1 1 88 88 PHE CB C 13 41.033 . . 1 . . . . 475 F CB . 17139 1 990 . 1 1 88 88 PHE N N 15 125.035 . . 1 . . . . 475 F N . 17139 1 991 . 1 1 89 89 THR H H 1 8.098 . . 1 . . . . 476 T HN . 17139 1 992 . 1 1 89 89 THR HA H 1 4.305 . . 1 . . . . 476 T HA . 17139 1 993 . 1 1 89 89 THR HG21 H 1 1.276 . . 1 . . . . 476 T QG2 . 17139 1 994 . 1 1 89 89 THR HG22 H 1 1.276 . . 1 . . . . 476 T QG2 . 17139 1 995 . 1 1 89 89 THR HG23 H 1 1.276 . . 1 . . . . 476 T QG2 . 17139 1 996 . 1 1 89 89 THR C C 13 174.189 . . 1 . . . . 476 T C . 17139 1 997 . 1 1 89 89 THR CA C 13 61.974 . . 1 . . . . 476 T CA . 17139 1 998 . 1 1 89 89 THR CB C 13 69.567 . . 1 . . . . 476 T CB . 17139 1 999 . 1 1 89 89 THR CG2 C 13 21.893 . . 1 . . . . 476 T CG2 . 17139 1 1000 . 1 1 89 89 THR N N 15 113.706 . . 1 . . . . 476 T N . 17139 1 1001 . 1 1 90 90 ASN H H 1 8.439 . . 1 . . . . 477 N HN . 17139 1 1002 . 1 1 90 90 ASN HA H 1 4.767 . . 1 . . . . 477 N HA . 17139 1 1003 . 1 1 90 90 ASN HB2 H 1 2.872 . . 2 . . . . 477 N QB . 17139 1 1004 . 1 1 90 90 ASN HB3 H 1 2.872 . . 2 . . . . 477 N QB . 17139 1 1005 . 1 1 90 90 ASN C C 13 175.418 . . 1 . . . . 477 N C . 17139 1 1006 . 1 1 90 90 ASN CA C 13 52.889 . . 1 . . . . 477 N CA . 17139 1 1007 . 1 1 90 90 ASN CB C 13 38.099 . . 1 . . . . 477 N CB . 17139 1 1008 . 1 1 90 90 ASN N N 15 119.986 . . 1 . . . . 477 N N . 17139 1 1009 . 1 1 91 91 LYS H H 1 8.036 . . 1 . . . . 478 K HN . 17139 1 1010 . 1 1 91 91 LYS HA H 1 4.192 . . 1 . . . . 478 K HA . 17139 1 1011 . 1 1 91 91 LYS HB2 H 1 1.775 . . 2 . . . . 478 K QB . 17139 1 1012 . 1 1 91 91 LYS HB3 H 1 1.775 . . 2 . . . . 478 K QB . 17139 1 1013 . 1 1 91 91 LYS HE2 H 1 3.077 . . 2 . . . . 478 K QE . 17139 1 1014 . 1 1 91 91 LYS HE3 H 1 3.077 . . 2 . . . . 478 K QE . 17139 1 1015 . 1 1 91 91 LYS C C 13 176.396 . . 1 . . . . 478 K C . 17139 1 1016 . 1 1 91 91 LYS CA C 13 57.633 . . 1 . . . . 478 K CA . 17139 1 1017 . 1 1 91 91 LYS CB C 13 33.067 . . 1 . . . . 478 K CB . 17139 1 1018 . 1 1 91 91 LYS N N 15 120.055 . . 1 . . . . 478 K N . 17139 1 1019 . 1 1 92 92 ASP H H 1 8.155 . . 1 . . . . 479 D HN . 17139 1 1020 . 1 1 92 92 ASP HA H 1 4.822 . . 1 . . . . 479 D HA . 17139 1 1021 . 1 1 92 92 ASP HB2 H 1 2.916 . . 2 . . . . 479 D HB2 . 17139 1 1022 . 1 1 92 92 ASP HB3 H 1 2.686 . . 2 . . . . 479 D HB3 . 17139 1 1023 . 1 1 92 92 ASP C C 13 176.228 . . 1 . . . . 479 D C . 17139 1 1024 . 1 1 92 92 ASP CA C 13 53.131 . . 1 . . . . 479 D CA . 17139 1 1025 . 1 1 92 92 ASP CB C 13 40.513 . . 1 . . . . 479 D CB . 17139 1 1026 . 1 1 92 92 ASP N N 15 118.175 . . 1 . . . . 479 D N . 17139 1 1027 . 1 1 93 93 LEU H H 1 8.123 . . 1 . . . . 480 L HN . 17139 1 1028 . 1 1 93 93 LEU HA H 1 4.079 . . 1 . . . . 480 L HA . 17139 1 1029 . 1 1 93 93 LEU HB2 H 1 1.749 . . 2 . . . . 480 L HB2 . 17139 1 1030 . 1 1 93 93 LEU HB3 H 1 1.634 . . 2 . . . . 480 L HB3 . 17139 1 1031 . 1 1 93 93 LEU HD11 H 1 0.918 . . 2 . . . . 480 L QD1 . 17139 1 1032 . 1 1 93 93 LEU HD12 H 1 0.918 . . 2 . . . . 480 L QD1 . 17139 1 1033 . 1 1 93 93 LEU HD13 H 1 0.918 . . 2 . . . . 480 L QD1 . 17139 1 1034 . 1 1 93 93 LEU HD21 H 1 1.007 . . 2 . . . . 480 L QD2 . 17139 1 1035 . 1 1 93 93 LEU HD22 H 1 1.007 . . 2 . . . . 480 L QD2 . 17139 1 1036 . 1 1 93 93 LEU HD23 H 1 1.007 . . 2 . . . . 480 L QD2 . 17139 1 1037 . 1 1 93 93 LEU C C 13 178.938 . . 1 . . . . 480 L C . 17139 1 1038 . 1 1 93 93 LEU CA C 13 57.129 . . 1 . . . . 480 L CA . 17139 1 1039 . 1 1 93 93 LEU CB C 13 41.391 . . 1 . . . . 480 L CB . 17139 1 1040 . 1 1 93 93 LEU CD1 C 13 23.523 . . 2 . . . . 480 L CD1 . 17139 1 1041 . 1 1 93 93 LEU CD2 C 13 24.874 . . 2 . . . . 480 L CD2 . 17139 1 1042 . 1 1 93 93 LEU N N 15 123.381 . . 1 . . . . 480 L N . 17139 1 1043 . 1 1 94 94 GLU H H 1 8.611 . . 1 . . . . 481 E HN . 17139 1 1044 . 1 1 94 94 GLU HA H 1 4.045 . . 1 . . . . 481 E HA . 17139 1 1045 . 1 1 94 94 GLU HB2 H 1 2.112 . . 2 . . . . 481 E QB . 17139 1 1046 . 1 1 94 94 GLU HB3 H 1 2.112 . . 2 . . . . 481 E QB . 17139 1 1047 . 1 1 94 94 GLU HG2 H 1 2.340 . . 2 . . . . 481 E QG . 17139 1 1048 . 1 1 94 94 GLU HG3 H 1 2.340 . . 2 . . . . 481 E QG . 17139 1 1049 . 1 1 94 94 GLU C C 13 179.915 . . 1 . . . . 481 E C . 17139 1 1050 . 1 1 94 94 GLU CA C 13 59.518 . . 1 . . . . 481 E CA . 17139 1 1051 . 1 1 94 94 GLU CB C 13 28.696 . . 1 . . . . 481 E CB . 17139 1 1052 . 1 1 94 94 GLU CG C 13 36.463 . . 1 . . . . 481 E CG . 17139 1 1053 . 1 1 94 94 GLU N N 15 119.986 . . 1 . . . . 481 E N . 17139 1 1054 . 1 1 95 95 SER H H 1 8.275 . . 1 . . . . 482 S HN . 17139 1 1055 . 1 1 95 95 SER HA H 1 4.249 . . 1 . . . . 482 S HA . 17139 1 1056 . 1 1 95 95 SER HB2 H 1 3.912 . . 2 . . . . 482 S HB2 . 17139 1 1057 . 1 1 95 95 SER HB3 H 1 3.791 . . 2 . . . . 482 S HB3 . 17139 1 1058 . 1 1 95 95 SER C C 13 175.670 . . 1 . . . . 482 S C . 17139 1 1059 . 1 1 95 95 SER CA C 13 61.907 . . 1 . . . . 482 S CA . 17139 1 1060 . 1 1 95 95 SER CB C 13 62.757 . . 1 . . . . 482 S CB . 17139 1 1061 . 1 1 95 95 SER N N 15 116.123 . . 1 . . . . 482 S N . 17139 1 1062 . 1 1 96 96 LEU H H 1 7.580 . . 1 . . . . 483 L HN . 17139 1 1063 . 1 1 96 96 LEU HA H 1 3.864 . . 1 . . . . 483 L HA . 17139 1 1064 . 1 1 96 96 LEU HB2 H 1 1.741 . . 2 . . . . 483 L HB2 . 17139 1 1065 . 1 1 96 96 LEU HB3 H 1 1.313 . . 2 . . . . 483 L HB3 . 17139 1 1066 . 1 1 96 96 LEU HD11 H 1 0.388 . . 2 . . . . 483 L QD1 . 17139 1 1067 . 1 1 96 96 LEU HD12 H 1 0.388 . . 2 . . . . 483 L QD1 . 17139 1 1068 . 1 1 96 96 LEU HD13 H 1 0.388 . . 2 . . . . 483 L QD1 . 17139 1 1069 . 1 1 96 96 LEU HD21 H 1 0.766 . . 2 . . . . 483 L QD2 . 17139 1 1070 . 1 1 96 96 LEU HD22 H 1 0.766 . . 2 . . . . 483 L QD2 . 17139 1 1071 . 1 1 96 96 LEU HD23 H 1 0.766 . . 2 . . . . 483 L QD2 . 17139 1 1072 . 1 1 96 96 LEU HG H 1 0.766 . . 1 . . . . 483 L HG . 17139 1 1073 . 1 1 96 96 LEU CA C 13 57.297 . . 1 . . . . 483 L CA . 17139 1 1074 . 1 1 96 96 LEU CB C 13 41.470 . . 1 . . . . 483 L CB . 17139 1 1075 . 1 1 96 96 LEU CD1 C 13 23.212 . . 2 . . . . 483 L CD1 . 17139 1 1076 . 1 1 96 96 LEU CD2 C 13 25.714 . . 2 . . . . 483 L CD2 . 17139 1 1077 . 1 1 96 96 LEU CG C 13 26.759 . . 1 . . . . 483 L CG . 17139 1 1078 . 1 1 96 96 LEU N N 15 122.836 . . 1 . . . . 483 L N . 17139 1 1079 . 1 1 97 97 LYS H H 1 8.234 . . 1 . . . . 484 K HN . 17139 1 1080 . 1 1 97 97 LYS HA H 1 3.864 . . 1 . . . . 484 K HA . 17139 1 1081 . 1 1 97 97 LYS HB2 H 1 1.886 . . 2 . . . . 484 K HB2 . 17139 1 1082 . 1 1 97 97 LYS HB3 H 1 1.811 . . 2 . . . . 484 K HB3 . 17139 1 1083 . 1 1 97 97 LYS HE2 H 1 2.927 . . 2 . . . . 484 K QE . 17139 1 1084 . 1 1 97 97 LYS HE3 H 1 2.927 . . 2 . . . . 484 K QE . 17139 1 1085 . 1 1 97 97 LYS HG2 H 1 1.632 . . 2 . . . . 484 K QG . 17139 1 1086 . 1 1 97 97 LYS HG3 H 1 1.632 . . 2 . . . . 484 K QG . 17139 1 1087 . 1 1 97 97 LYS C C 13 179.915 . . 1 . . . . 484 K C . 17139 1 1088 . 1 1 97 97 LYS CA C 13 60.048 . . 1 . . . . 484 K CA . 17139 1 1089 . 1 1 97 97 LYS CB C 13 31.752 . . 1 . . . . 484 K CB . 17139 1 1090 . 1 1 97 97 LYS N N 15 118.153 . . 1 . . . . 484 K N . 17139 1 1091 . 1 1 98 98 GLY H H 1 7.980 . . 1 . . . . 485 G HN . 17139 1 1092 . 1 1 98 98 GLY HA2 H 1 4.057 . . 2 . . . . 485 G HA1 . 17139 1 1093 . 1 1 98 98 GLY HA3 H 1 3.830 . . 2 . . . . 485 G HA2 . 17139 1 1094 . 1 1 98 98 GLY C C 13 175.754 . . 1 . . . . 485 G C . 17139 1 1095 . 1 1 98 98 GLY CA C 13 47.154 . . 1 . . . . 485 G CA . 17139 1 1096 . 1 1 98 98 GLY N N 15 106.345 . . 1 . . . . 485 G N . 17139 1 1097 . 1 1 99 99 LEU H H 1 7.760 . . 1 . . . . 486 L HN . 17139 1 1098 . 1 1 99 99 LEU HA H 1 3.761 . . 1 . . . . 486 L HA . 17139 1 1099 . 1 1 99 99 LEU HB2 H 1 1.138 . . 2 . . . . 486 L HB2 . 17139 1 1100 . 1 1 99 99 LEU HB3 H 1 1.414 . . 2 . . . . 486 L HB3 . 17139 1 1101 . 1 1 99 99 LEU HD11 H 1 -0.454 . . 2 . . . . 486 L QD1 . 17139 1 1102 . 1 1 99 99 LEU HD12 H 1 -0.454 . . 2 . . . . 486 L QD1 . 17139 1 1103 . 1 1 99 99 LEU HD13 H 1 -0.454 . . 2 . . . . 486 L QD1 . 17139 1 1104 . 1 1 99 99 LEU HD21 H 1 -0.603 . . 2 . . . . 486 L QD2 . 17139 1 1105 . 1 1 99 99 LEU HD22 H 1 -0.603 . . 2 . . . . 486 L QD2 . 17139 1 1106 . 1 1 99 99 LEU HD23 H 1 -0.603 . . 2 . . . . 486 L QD2 . 17139 1 1107 . 1 1 99 99 LEU HG H 1 0.802 . . 1 . . . . 486 L HG . 17139 1 1108 . 1 1 99 99 LEU C C 13 178.798 . . 1 . . . . 486 L C . 17139 1 1109 . 1 1 99 99 LEU CA C 13 57.432 . . 1 . . . . 486 L CA . 17139 1 1110 . 1 1 99 99 LEU CB C 13 40.129 . . 1 . . . . 486 L CB . 17139 1 1111 . 1 1 99 99 LEU CD1 C 13 21.692 . . 2 . . . . 486 L CD1 . 17139 1 1112 . 1 1 99 99 LEU CD2 C 13 24.503 . . 2 . . . . 486 L CD2 . 17139 1 1113 . 1 1 99 99 LEU N N 15 124.839 . . 1 . . . . 486 L N . 17139 1 1114 . 1 1 100 100 TYR H H 1 8.156 . . 1 . . . . 487 Y HN . 17139 1 1115 . 1 1 100 100 TYR HA H 1 3.707 . . 1 . . . . 487 Y HA . 17139 1 1116 . 1 1 100 100 TYR HB2 H 1 2.871 . . 2 . . . . 487 Y HB2 . 17139 1 1117 . 1 1 100 100 TYR HB3 H 1 2.773 . . 2 . . . . 487 Y HB3 . 17139 1 1118 . 1 1 100 100 TYR HD1 H 1 6.633 . . 3 . . . . 487 Y QD . 17139 1 1119 . 1 1 100 100 TYR HD2 H 1 6.633 . . 3 . . . . 487 Y QD . 17139 1 1120 . 1 1 100 100 TYR HE1 H 1 6.558 . . 3 . . . . 487 Y QE . 17139 1 1121 . 1 1 100 100 TYR HE2 H 1 6.558 . . 3 . . . . 487 Y QE . 17139 1 1122 . 1 1 100 100 TYR C C 13 179.440 . . 1 . . . . 487 Y C . 17139 1 1123 . 1 1 100 100 TYR CA C 13 60.820 . . 1 . . . . 487 Y CA . 17139 1 1124 . 1 1 100 100 TYR CB C 13 37.563 . . 1 . . . . 487 Y CB . 17139 1 1125 . 1 1 100 100 TYR N N 15 117.041 . . 1 . . . . 487 Y N . 17139 1 1126 . 1 1 101 101 ARG H H 1 7.948 . . 1 . . . . 488 R HN . 17139 1 1127 . 1 1 101 101 ARG HA H 1 3.946 . . 1 . . . . 488 R HA . 17139 1 1128 . 1 1 101 101 ARG HB2 H 1 1.902 . . 2 . . . . 488 R QB . 17139 1 1129 . 1 1 101 101 ARG HB3 H 1 1.902 . . 2 . . . . 488 R QB . 17139 1 1130 . 1 1 101 101 ARG HD2 H 1 3.245 . . 2 . . . . 488 R QD . 17139 1 1131 . 1 1 101 101 ARG HD3 H 1 3.245 . . 2 . . . . 488 R QD . 17139 1 1132 . 1 1 101 101 ARG HG2 H 1 1.728 . . 2 . . . . 488 R HG2 . 17139 1 1133 . 1 1 101 101 ARG HG3 H 1 1.572 . . 2 . . . . 488 R HG3 . 17139 1 1134 . 1 1 101 101 ARG C C 13 178.547 . . 1 . . . . 488 R C . 17139 1 1135 . 1 1 101 101 ARG CA C 13 59.309 . . 1 . . . . 488 R CA . 17139 1 1136 . 1 1 101 101 ARG CB C 13 29.670 . . 1 . . . . 488 R CB . 17139 1 1137 . 1 1 101 101 ARG CD C 13 43.704 . . 1 . . . . 488 R CD . 17139 1 1138 . 1 1 101 101 ARG CG C 13 27.793 . . 1 . . . . 488 R CG . 17139 1 1139 . 1 1 101 101 ARG N N 15 119.114 . . 1 . . . . 488 R N . 17139 1 1140 . 1 1 102 102 ILE H H 1 7.795 . . 1 . . . . 489 I HN . 17139 1 1141 . 1 1 102 102 ILE HA H 1 4.006 . . 1 . . . . 489 I HA . 17139 1 1142 . 1 1 102 102 ILE HB H 1 1.712 . . 1 . . . . 489 I HB . 17139 1 1143 . 1 1 102 102 ILE HD11 H 1 0.588 . . 1 . . . . 489 I QD1 . 17139 1 1144 . 1 1 102 102 ILE HD12 H 1 0.588 . . 1 . . . . 489 I QD1 . 17139 1 1145 . 1 1 102 102 ILE HD13 H 1 0.588 . . 1 . . . . 489 I QD1 . 17139 1 1146 . 1 1 102 102 ILE HG12 H 1 1.425 . . 1 . . . . 489 I QG1 . 17139 1 1147 . 1 1 102 102 ILE HG13 H 1 1.425 . . 1 . . . . 489 I QG1 . 17139 1 1148 . 1 1 102 102 ILE HG21 H 1 0.677 . . 1 . . . . 489 I QG2 . 17139 1 1149 . 1 1 102 102 ILE HG22 H 1 0.677 . . 1 . . . . 489 I QG2 . 17139 1 1150 . 1 1 102 102 ILE HG23 H 1 0.677 . . 1 . . . . 489 I QG2 . 17139 1 1151 . 1 1 102 102 ILE CA C 13 64.043 . . 1 . . . . 489 I CA . 17139 1 1152 . 1 1 102 102 ILE CB C 13 38.457 . . 1 . . . . 489 I CB . 17139 1 1153 . 1 1 102 102 ILE CD1 C 13 14.094 . . 1 . . . . 489 I CD1 . 17139 1 1154 . 1 1 102 102 ILE CG1 C 13 28.720 . . 1 . . . . 489 I CG1 . 17139 1 1155 . 1 1 102 102 ILE CG2 C 13 18.318 . . 1 . . . . 489 I CG2 . 17139 1 1156 . 1 1 102 102 ILE N N 15 118.244 . . 1 . . . . 489 I N . 17139 1 1157 . 1 1 103 103 MET H H 1 8.288 . . 1 . . . . 490 M HN . 17139 1 1158 . 1 1 103 103 MET HA H 1 4.683 . . 1 . . . . 490 M HA . 17139 1 1159 . 1 1 103 103 MET HB2 H 1 2.246 . . 2 . . . . 490 M HB2 . 17139 1 1160 . 1 1 103 103 MET HB3 H 1 1.802 . . 2 . . . . 490 M HB3 . 17139 1 1161 . 1 1 103 103 MET HG2 H 1 2.486 . . 2 . . . . 490 M QG . 17139 1 1162 . 1 1 103 103 MET HG3 H 1 2.486 . . 2 . . . . 490 M QG . 17139 1 1163 . 1 1 103 103 MET C C 13 179.552 . . 1 . . . . 490 M C . 17139 1 1164 . 1 1 103 103 MET CA C 13 58.234 . . 1 . . . . 490 M CA . 17139 1 1165 . 1 1 103 103 MET CB C 13 31.752 . . 1 . . . . 490 M CB . 17139 1 1166 . 1 1 103 103 MET CG C 13 34.586 . . 1 . . . . 490 M CG . 17139 1 1167 . 1 1 103 103 MET N N 15 118.147 . . 1 . . . . 490 M N . 17139 1 1168 . 1 1 104 104 GLY H H 1 8.173 . . 1 . . . . 491 G HN . 17139 1 1169 . 1 1 104 104 GLY HA2 H 1 4.264 . . 2 . . . . 491 G HA1 . 17139 1 1170 . 1 1 104 104 GLY HA3 H 1 3.926 . . 2 . . . . 491 G HA2 . 17139 1 1171 . 1 1 104 104 GLY C C 13 174.217 . . 1 . . . . 491 G C . 17139 1 1172 . 1 1 104 104 GLY CA C 13 45.744 . . 1 . . . . 491 G CA . 17139 1 1173 . 1 1 104 104 GLY N N 15 107.264 . . 1 . . . . 491 G N . 17139 1 1174 . 1 1 105 105 ASN H H 1 7.639 . . 1 . . . . 492 N HN . 17139 1 1175 . 1 1 105 105 ASN HA H 1 5.109 . . 1 . . . . 492 N HA . 17139 1 1176 . 1 1 105 105 ASN HB2 H 1 3.225 . . 2 . . . . 492 N HB2 . 17139 1 1177 . 1 1 105 105 ASN HB3 H 1 2.958 . . 2 . . . . 492 N HB3 . 17139 1 1178 . 1 1 105 105 ASN C C 13 175.223 . . 1 . . . . 492 N C . 17139 1 1179 . 1 1 105 105 ASN CA C 13 52.795 . . 1 . . . . 492 N CA . 17139 1 1180 . 1 1 105 105 ASN CB C 13 39.056 . . 1 . . . . 492 N CB . 17139 1 1181 . 1 1 105 105 ASN N N 15 118.667 . . 1 . . . . 492 N N . 17139 1 1182 . 1 1 106 106 GLY H H 1 8.127 . . 1 . . . . 493 G HN . 17139 1 1183 . 1 1 106 106 GLY HA2 H 1 4.174 . . 2 . . . . 493 G HA1 . 17139 1 1184 . 1 1 106 106 GLY HA3 H 1 3.785 . . 2 . . . . 493 G HA2 . 17139 1 1185 . 1 1 106 106 GLY C C 13 174.469 . . 1 . . . . 493 G C . 17139 1 1186 . 1 1 106 106 GLY CA C 13 46.281 . . 1 . . . . 493 G CA . 17139 1 1187 . 1 1 106 106 GLY N N 15 105.055 . . 1 . . . . 493 G N . 17139 1 1188 . 1 1 107 107 PHE H H 1 7.555 . . 1 . . . . 494 F HN . 17139 1 1189 . 1 1 107 107 PHE HA H 1 4.998 . . 1 . . . . 494 F HA . 17139 1 1190 . 1 1 107 107 PHE HB2 H 1 2.865 . . 2 . . . . 494 F HB2 . 17139 1 1191 . 1 1 107 107 PHE HB3 H 1 2.711 . . 2 . . . . 494 F HB3 . 17139 1 1192 . 1 1 107 107 PHE HD1 H 1 7.067 . . 3 . . . . 494 F QD . 17139 1 1193 . 1 1 107 107 PHE HD2 H 1 7.067 . . 3 . . . . 494 F QD . 17139 1 1194 . 1 1 107 107 PHE HE1 H 1 7.338 . . 3 . . . . 494 F QE . 17139 1 1195 . 1 1 107 107 PHE HE2 H 1 7.338 . . 3 . . . . 494 F QE . 17139 1 1196 . 1 1 107 107 PHE C C 13 173.715 . . 1 . . . . 494 F C . 17139 1 1197 . 1 1 107 107 PHE CA C 13 58.234 . . 1 . . . . 494 F CA . 17139 1 1198 . 1 1 107 107 PHE CB C 13 41.917 . . 1 . . . . 494 F CB . 17139 1 1199 . 1 1 107 107 PHE N N 15 118.790 . . 1 . . . . 494 F N . 17139 1 1200 . 1 1 108 108 ALA H H 1 9.188 . . 1 . . . . 495 A HN . 17139 1 1201 . 1 1 108 108 ALA HA H 1 4.878 . . 1 . . . . 495 A HA . 17139 1 1202 . 1 1 108 108 ALA HB1 H 1 1.321 . . 1 . . . . 495 A QB . 17139 1 1203 . 1 1 108 108 ALA HB2 H 1 1.321 . . 1 . . . . 495 A QB . 17139 1 1204 . 1 1 108 108 ALA HB3 H 1 1.321 . . 1 . . . . 495 A QB . 17139 1 1205 . 1 1 108 108 ALA C C 13 175.670 . . 1 . . . . 495 A C . 17139 1 1206 . 1 1 108 108 ALA CA C 13 50.064 . . 1 . . . . 495 A CA . 17139 1 1207 . 1 1 108 108 ALA CB C 13 22.796 . . 1 . . . . 495 A CB . 17139 1 1208 . 1 1 108 108 ALA N N 15 122.306 . . 1 . . . . 495 A N . 17139 1 1209 . 1 1 109 109 GLY H H 1 9.341 . . 1 . . . . 496 G HN . 17139 1 1210 . 1 1 109 109 GLY HA2 H 1 5.042 . . 2 . . . . 496 G HA1 . 17139 1 1211 . 1 1 109 109 GLY HA3 H 1 3.680 . . 2 . . . . 496 G HA2 . 17139 1 1212 . 1 1 109 109 GLY C C 13 172.514 . . 1 . . . . 496 G C . 17139 1 1213 . 1 1 109 109 GLY CA C 13 44.778 . . 1 . . . . 496 G CA . 17139 1 1214 . 1 1 109 109 GLY N N 15 106.131 . . 1 . . . . 496 G N . 17139 1 1215 . 1 1 110 110 CYS H H 1 9.489 . . 1 . . . . 497 C HN . 17139 1 1216 . 1 1 110 110 CYS HA H 1 5.105 . . 1 . . . . 497 C HA . 17139 1 1217 . 1 1 110 110 CYS HB2 H 1 2.779 . . 2 . . . . 497 C HB2 . 17139 1 1218 . 1 1 110 110 CYS HB3 H 1 2.482 . . 2 . . . . 497 C HB3 . 17139 1 1219 . 1 1 110 110 CYS C C 13 173.296 . . 1 . . . . 497 C C . 17139 1 1220 . 1 1 110 110 CYS CA C 13 58.273 . . 1 . . . . 497 C CA . 17139 1 1221 . 1 1 110 110 CYS CB C 13 28.712 . . 1 . . . . 497 C CB . 17139 1 1222 . 1 1 110 110 CYS N N 15 124.647 . . 1 . . . . 497 C N . 17139 1 1223 . 1 1 111 111 VAL H H 1 9.265 . . 1 . . . . 498 V HN . 17139 1 1224 . 1 1 111 111 VAL HA H 1 4.505 . . 1 . . . . 498 V HA . 17139 1 1225 . 1 1 111 111 VAL HB H 1 1.896 . . 1 . . . . 498 V HB . 17139 1 1226 . 1 1 111 111 VAL HG11 H 1 0.519 . . 2 . . . . 498 V QG1 . 17139 1 1227 . 1 1 111 111 VAL HG12 H 1 0.519 . . 2 . . . . 498 V QG1 . 17139 1 1228 . 1 1 111 111 VAL HG13 H 1 0.519 . . 2 . . . . 498 V QG1 . 17139 1 1229 . 1 1 111 111 VAL HG21 H 1 0.474 . . 2 . . . . 498 V QG2 . 17139 1 1230 . 1 1 111 111 VAL HG22 H 1 0.474 . . 2 . . . . 498 V QG2 . 17139 1 1231 . 1 1 111 111 VAL HG23 H 1 0.474 . . 2 . . . . 498 V QG2 . 17139 1 1232 . 1 1 111 111 VAL C C 13 173.687 . . 1 . . . . 498 V C . 17139 1 1233 . 1 1 111 111 VAL CA C 13 61.368 . . 1 . . . . 498 V CA . 17139 1 1234 . 1 1 111 111 VAL CB C 13 32.719 . . 1 . . . . 498 V CB . 17139 1 1235 . 1 1 111 111 VAL CG1 C 13 20.705 . . 2 . . . . 498 V CG1 . 17139 1 1236 . 1 1 111 111 VAL CG2 C 13 22.376 . . 2 . . . . 498 V CG2 . 17139 1 1237 . 1 1 111 111 VAL N N 15 131.172 . . 1 . . . . 498 V N . 17139 1 1238 . 1 1 112 112 HIS H H 1 8.709 . . 1 . . . . 499 H HN . 17139 1 1239 . 1 1 112 112 HIS HA H 1 5.131 . . 1 . . . . 499 H HA . 17139 1 1240 . 1 1 112 112 HIS HB2 H 1 3.124 . . 2 . . . . 499 H HB2 . 17139 1 1241 . 1 1 112 112 HIS HB3 H 1 2.986 . . 2 . . . . 499 H HB3 . 17139 1 1242 . 1 1 112 112 HIS C C 13 175.390 . . 1 . . . . 499 H C . 17139 1 1243 . 1 1 112 112 HIS CA C 13 55.414 . . 1 . . . . 499 H CA . 17139 1 1244 . 1 1 112 112 HIS CB C 13 31.200 . . 1 . . . . 499 H CB . 17139 1 1245 . 1 1 112 112 HIS N N 15 125.046 . . 1 . . . . 499 H N . 17139 1 1246 . 1 1 113 113 PHE H H 1 8.527 . . 1 . . . . 500 F HN . 17139 1 1247 . 1 1 113 113 PHE HA H 1 4.512 . . 1 . . . . 500 F HA . 17139 1 1248 . 1 1 113 113 PHE HB2 H 1 2.969 . . 2 . . . . 500 F HB2 . 17139 1 1249 . 1 1 113 113 PHE HB3 H 1 2.683 . . 2 . . . . 500 F HB3 . 17139 1 1250 . 1 1 113 113 PHE HD1 H 1 6.575 . . 3 . . . . 500 F QD . 17139 1 1251 . 1 1 113 113 PHE HD2 H 1 6.575 . . 3 . . . . 500 F QD . 17139 1 1252 . 1 1 113 113 PHE HE1 H 1 5.699 . . 3 . . . . 500 F QE . 17139 1 1253 . 1 1 113 113 PHE HE2 H 1 5.699 . . 3 . . . . 500 F QE . 17139 1 1254 . 1 1 113 113 PHE HZ H 1 4.931 . . 1 . . . . 500 F HZ . 17139 1 1255 . 1 1 113 113 PHE C C 13 173.910 . . 1 . . . . 500 F C . 17139 1 1256 . 1 1 113 113 PHE CA C 13 55.548 . . 1 . . . . 500 F CA . 17139 1 1257 . 1 1 113 113 PHE CB C 13 37.994 . . 1 . . . . 500 F CB . 17139 1 1258 . 1 1 113 113 PHE N N 15 125.507 . . 1 . . . . 500 F N . 17139 1 1259 . 1 1 116 116 THR H H 1 7.771 . . 1 . . . . 503 T HN . 17139 1 1260 . 1 1 116 116 THR HA H 1 4.165 . . 1 . . . . 503 T HA . 17139 1 1261 . 1 1 116 116 THR HB H 1 4.345 . . 1 . . . . 503 T HB . 17139 1 1262 . 1 1 116 116 THR HG21 H 1 1.097 . . 1 . . . . 503 T QG2 . 17139 1 1263 . 1 1 116 116 THR HG22 H 1 1.097 . . 1 . . . . 503 T QG2 . 17139 1 1264 . 1 1 116 116 THR HG23 H 1 1.097 . . 1 . . . . 503 T QG2 . 17139 1 1265 . 1 1 116 116 THR C C 13 174.106 . . 1 . . . . 503 T C . 17139 1 1266 . 1 1 116 116 THR CA C 13 61.659 . . 1 . . . . 503 T CA . 17139 1 1267 . 1 1 116 116 THR CB C 13 69.271 . . 1 . . . . 503 T CB . 17139 1 1268 . 1 1 116 116 THR N N 15 109.957 . . 1 . . . . 503 T N . 17139 1 1269 . 1 1 117 117 ALA H H 1 7.911 . . 1 . . . . 504 A HN . 17139 1 1270 . 1 1 117 117 ALA HA H 1 4.750 . . 1 . . . . 504 A HA . 17139 1 1271 . 1 1 117 117 ALA HB1 H 1 1.456 . . 1 . . . . 504 A QB . 17139 1 1272 . 1 1 117 117 ALA HB2 H 1 1.456 . . 1 . . . . 504 A QB . 17139 1 1273 . 1 1 117 117 ALA HB3 H 1 1.456 . . 1 . . . . 504 A QB . 17139 1 1274 . 1 1 117 117 ALA C C 13 175.586 . . 1 . . . . 504 A C . 17139 1 1275 . 1 1 117 117 ALA CA C 13 50.366 . . 1 . . . . 504 A CA . 17139 1 1276 . 1 1 117 117 ALA CB C 13 18.763 . . 1 . . . . 504 A CB . 17139 1 1277 . 1 1 117 117 ALA N N 15 125.900 . . 1 . . . . 504 A N . 17139 1 1278 . 1 1 118 118 PRO HD2 H 1 3.697 . . 2 . . . . 505 P HD2 . 17139 1 1279 . 1 1 118 118 PRO HD3 H 1 3.845 . . 2 . . . . 505 P HD3 . 17139 1 1280 . 1 1 118 118 PRO CD C 13 50.334 . . 1 . . . . 505 P CD . 17139 1 1281 . 1 1 119 119 CYS H H 1 10.449 . . 1 . . . . 506 C HN . 17139 1 1282 . 1 1 119 119 CYS HB2 H 1 2.869 . . 2 . . . . 506 C HB2 . 17139 1 1283 . 1 1 119 119 CYS HB3 H 1 3.109 . . 2 . . . . 506 C HB3 . 17139 1 1284 . 1 1 119 119 CYS CB C 13 33.582 . . 1 . . . . 506 C CB . 17139 1 1285 . 1 1 119 119 CYS N N 15 122.843 . . 1 . . . . 506 C N . 17139 1 1286 . 1 1 120 120 GLU H H 1 8.587 . . 1 . . . . 507 E HN . 17139 1 1287 . 1 1 120 120 GLU HA H 1 4.154 . . 1 . . . . 507 E HA . 17139 1 1288 . 1 1 120 120 GLU HB2 H 1 2.083 . . 2 . . . . 507 E QB . 17139 1 1289 . 1 1 120 120 GLU HB3 H 1 2.083 . . 2 . . . . 507 E QB . 17139 1 1290 . 1 1 120 120 GLU HG2 H 1 2.313 . . 2 . . . . 507 E QG . 17139 1 1291 . 1 1 120 120 GLU HG3 H 1 2.313 . . 2 . . . . 507 E QG . 17139 1 1292 . 1 1 120 120 GLU C C 13 176.591 . . 1 . . . . 507 E C . 17139 1 1293 . 1 1 120 120 GLU CA C 13 57.970 . . 1 . . . . 507 E CA . 17139 1 1294 . 1 1 120 120 GLU CB C 13 29.322 . . 1 . . . . 507 E CB . 17139 1 1295 . 1 1 120 120 GLU CG C 13 36.910 . . 1 . . . . 507 E CG . 17139 1 1296 . 1 1 120 120 GLU N N 15 122.831 . . 1 . . . . 507 E N . 17139 1 1297 . 1 1 121 121 VAL H H 1 7.620 . . 1 . . . . 508 V HN . 17139 1 1298 . 1 1 121 121 VAL HA H 1 3.387 . . 1 . . . . 508 V HA . 17139 1 1299 . 1 1 121 121 VAL HB H 1 1.270 . . 1 . . . . 508 V HB . 17139 1 1300 . 1 1 121 121 VAL HG11 H 1 0.768 . . 2 . . . . 508 V QG1 . 17139 1 1301 . 1 1 121 121 VAL HG12 H 1 0.768 . . 2 . . . . 508 V QG1 . 17139 1 1302 . 1 1 121 121 VAL HG13 H 1 0.768 . . 2 . . . . 508 V QG1 . 17139 1 1303 . 1 1 121 121 VAL HG21 H 1 -0.038 . . 2 . . . . 508 V QG2 . 17139 1 1304 . 1 1 121 121 VAL HG22 H 1 -0.038 . . 2 . . . . 508 V QG2 . 17139 1 1305 . 1 1 121 121 VAL HG23 H 1 -0.038 . . 2 . . . . 508 V QG2 . 17139 1 1306 . 1 1 121 121 VAL C C 13 173.128 . . 1 . . . . 508 V C . 17139 1 1307 . 1 1 121 121 VAL CA C 13 63.439 . . 1 . . . . 508 V CA . 17139 1 1308 . 1 1 121 121 VAL CB C 13 31.905 . . 1 . . . . 508 V CB . 17139 1 1309 . 1 1 121 121 VAL CG1 C 13 21.920 . . 2 . . . . 508 V CG1 . 17139 1 1310 . 1 1 121 121 VAL CG2 C 13 21.312 . . 2 . . . . 508 V CG2 . 17139 1 1311 . 1 1 121 121 VAL N N 15 119.532 . . 1 . . . . 508 V N . 17139 1 1312 . 1 1 122 122 ARG H H 1 8.690 . . 1 . . . . 509 R HN . 17139 1 1313 . 1 1 122 122 ARG HA H 1 4.402 . . 1 . . . . 509 R HA . 17139 1 1314 . 1 1 122 122 ARG HD2 H 1 3.109 . . 2 . . . . 509 R QD . 17139 1 1315 . 1 1 122 122 ARG HD3 H 1 3.109 . . 2 . . . . 509 R QD . 17139 1 1316 . 1 1 122 122 ARG C C 13 176.843 . . 1 . . . . 509 R C . 17139 1 1317 . 1 1 122 122 ARG CA C 13 55.817 . . 1 . . . . 509 R CA . 17139 1 1318 . 1 1 122 122 ARG N N 15 122.504 . . 1 . . . . 509 R N . 17139 1 1319 . 1 1 123 123 VAL H H 1 8.926 . . 1 . . . . 510 V HN . 17139 1 1320 . 1 1 123 123 VAL HA H 1 5.336 . . 1 . . . . 510 V HA . 17139 1 1321 . 1 1 123 123 VAL HB H 1 1.841 . . 1 . . . . 510 V HB . 17139 1 1322 . 1 1 123 123 VAL HG11 H 1 0.738 . . 2 . . . . 510 V QG1 . 17139 1 1323 . 1 1 123 123 VAL HG12 H 1 0.738 . . 2 . . . . 510 V QG1 . 17139 1 1324 . 1 1 123 123 VAL HG13 H 1 0.738 . . 2 . . . . 510 V QG1 . 17139 1 1325 . 1 1 123 123 VAL HG21 H 1 0.607 . . 2 . . . . 510 V QG2 . 17139 1 1326 . 1 1 123 123 VAL HG22 H 1 0.607 . . 2 . . . . 510 V QG2 . 17139 1 1327 . 1 1 123 123 VAL HG23 H 1 0.607 . . 2 . . . . 510 V QG2 . 17139 1 1328 . 1 1 123 123 VAL C C 13 171.285 . . 1 . . . . 510 V C . 17139 1 1329 . 1 1 123 123 VAL CA C 13 59.619 . . 1 . . . . 510 V CA . 17139 1 1330 . 1 1 123 123 VAL CB C 13 34.855 . . 1 . . . . 510 V CB . 17139 1 1331 . 1 1 123 123 VAL CG1 C 13 21.084 . . 2 . . . . 510 V CG1 . 17139 1 1332 . 1 1 123 123 VAL CG2 C 13 21.844 . . 2 . . . . 510 V CG2 . 17139 1 1333 . 1 1 123 123 VAL N N 15 122.311 . . 1 . . . . 510 V N . 17139 1 1334 . 1 1 124 124 LEU H H 1 8.490 . . 1 . . . . 511 L HN . 17139 1 1335 . 1 1 124 124 LEU HA H 1 4.688 . . 1 . . . . 511 L HA . 17139 1 1336 . 1 1 124 124 LEU HB2 H 1 1.532 . . 2 . . . . 511 L HB2 . 17139 1 1337 . 1 1 124 124 LEU HB3 H 1 1.403 . . 2 . . . . 511 L HB3 . 17139 1 1338 . 1 1 124 124 LEU HD11 H 1 0.582 . . 2 . . . . 511 L QD1 . 17139 1 1339 . 1 1 124 124 LEU HD12 H 1 0.582 . . 2 . . . . 511 L QD1 . 17139 1 1340 . 1 1 124 124 LEU HD13 H 1 0.582 . . 2 . . . . 511 L QD1 . 17139 1 1341 . 1 1 124 124 LEU HD21 H 1 0.597 . . 2 . . . . 511 L QD2 . 17139 1 1342 . 1 1 124 124 LEU HD22 H 1 0.597 . . 2 . . . . 511 L QD2 . 17139 1 1343 . 1 1 124 124 LEU HD23 H 1 0.597 . . 2 . . . . 511 L QD2 . 17139 1 1344 . 1 1 124 124 LEU HG H 1 0.743 . . 1 . . . . 511 L HG . 17139 1 1345 . 1 1 124 124 LEU C C 13 173.854 . . 1 . . . . 511 L C . 17139 1 1346 . 1 1 124 124 LEU CA C 13 53.769 . . 1 . . . . 511 L CA . 17139 1 1347 . 1 1 124 124 LEU CB C 13 46.129 . . 1 . . . . 511 L CB . 17139 1 1348 . 1 1 124 124 LEU CD1 C 13 26.759 . . 2 . . . . 511 L CD1 . 17139 1 1349 . 1 1 124 124 LEU CD2 C 13 25.650 . . 2 . . . . 511 L CD2 . 17139 1 1350 . 1 1 124 124 LEU N N 15 122.447 . . 1 . . . . 511 L N . 17139 1 1351 . 1 1 125 125 MET H H 1 8.926 . . 1 . . . . 512 M HN . 17139 1 1352 . 1 1 125 125 MET HA H 1 5.528 . . 1 . . . . 512 M HA . 17139 1 1353 . 1 1 125 125 MET HB2 H 1 1.895 . . 2 . . . . 512 M HB2 . 17139 1 1354 . 1 1 125 125 MET HB3 H 1 1.815 . . 2 . . . . 512 M HB3 . 17139 1 1355 . 1 1 125 125 MET HG2 H 1 2.375 . . 2 . . . . 512 M HG2 . 17139 1 1356 . 1 1 125 125 MET HG3 H 1 2.180 . . 2 . . . . 512 M HG3 . 17139 1 1357 . 1 1 125 125 MET C C 13 173.687 . . 1 . . . . 512 M C . 17139 1 1358 . 1 1 125 125 MET CA C 13 52.157 . . 1 . . . . 512 M CA . 17139 1 1359 . 1 1 125 125 MET CB C 13 34.076 . . 1 . . . . 512 M CB . 17139 1 1360 . 1 1 125 125 MET CG C 13 32.441 . . 1 . . . . 512 M CG . 17139 1 1361 . 1 1 125 125 MET N N 15 120.636 . . 1 . . . . 512 M N . 17139 1 1362 . 1 1 126 126 LEU H H 1 9.517 . . 1 . . . . 513 L HN . 17139 1 1363 . 1 1 126 126 LEU HA H 1 5.134 . . 1 . . . . 513 L HA . 17139 1 1364 . 1 1 126 126 LEU HB2 H 1 1.522 . . 2 . . . . 513 L HB2 . 17139 1 1365 . 1 1 126 126 LEU HB3 H 1 0.682 . . 2 . . . . 513 L HB3 . 17139 1 1366 . 1 1 126 126 LEU HD11 H 1 0.324 . . 2 . . . . 513 L QD1 . 17139 1 1367 . 1 1 126 126 LEU HD12 H 1 0.324 . . 2 . . . . 513 L QD1 . 17139 1 1368 . 1 1 126 126 LEU HD13 H 1 0.324 . . 2 . . . . 513 L QD1 . 17139 1 1369 . 1 1 126 126 LEU HD21 H 1 0.152 . . 2 . . . . 513 L QD2 . 17139 1 1370 . 1 1 126 126 LEU HD22 H 1 0.152 . . 2 . . . . 513 L QD2 . 17139 1 1371 . 1 1 126 126 LEU HD23 H 1 0.152 . . 2 . . . . 513 L QD2 . 17139 1 1372 . 1 1 126 126 LEU HG H 1 1.196 . . 1 . . . . 513 L HG . 17139 1 1373 . 1 1 126 126 LEU C C 13 174.329 . . 1 . . . . 513 L C . 17139 1 1374 . 1 1 126 126 LEU CA C 13 53.865 . . 1 . . . . 513 L CA . 17139 1 1375 . 1 1 126 126 LEU CB C 13 44.625 . . 1 . . . . 513 L CB . 17139 1 1376 . 1 1 126 126 LEU CD1 C 13 25.643 . . 2 . . . . 513 L CD1 . 17139 1 1377 . 1 1 126 126 LEU CD2 C 13 24.351 . . 2 . . . . 513 L CD2 . 17139 1 1378 . 1 1 126 126 LEU CG C 13 28.150 . . 1 . . . . 513 L CG . 17139 1 1379 . 1 1 126 126 LEU N N 15 127.006 . . 1 . . . . 513 L N . 17139 1 1380 . 1 1 127 127 LEU H H 1 9.089 . . 1 . . . . 514 L HN . 17139 1 1381 . 1 1 127 127 LEU HA H 1 4.958 . . 1 . . . . 514 L HA . 17139 1 1382 . 1 1 127 127 LEU HB2 H 1 1.624 . . 2 . . . . 514 L HB2 . 17139 1 1383 . 1 1 127 127 LEU HB3 H 1 1.502 . . 2 . . . . 514 L HB3 . 17139 1 1384 . 1 1 127 127 LEU HD11 H 1 0.815 . . 2 . . . . 514 L QD1 . 17139 1 1385 . 1 1 127 127 LEU HD12 H 1 0.815 . . 2 . . . . 514 L QD1 . 17139 1 1386 . 1 1 127 127 LEU HD13 H 1 0.815 . . 2 . . . . 514 L QD1 . 17139 1 1387 . 1 1 127 127 LEU HD21 H 1 0.870 . . 2 . . . . 514 L QD2 . 17139 1 1388 . 1 1 127 127 LEU HD22 H 1 0.870 . . 2 . . . . 514 L QD2 . 17139 1 1389 . 1 1 127 127 LEU HD23 H 1 0.870 . . 2 . . . . 514 L QD2 . 17139 1 1390 . 1 1 127 127 LEU C C 13 175.251 . . 1 . . . . 514 L C . 17139 1 1391 . 1 1 127 127 LEU CA C 13 53.702 . . 1 . . . . 514 L CA . 17139 1 1392 . 1 1 127 127 LEU CB C 13 45.235 . . 1 . . . . 514 L CB . 17139 1 1393 . 1 1 127 127 LEU CD1 C 13 25.469 . . 2 . . . . 514 L CD1 . 17139 1 1394 . 1 1 127 127 LEU CD2 C 13 24.699 . . 2 . . . . 514 L CD2 . 17139 1 1395 . 1 1 127 127 LEU CG C 13 28.329 . . 1 . . . . 514 L CG . 17139 1 1396 . 1 1 127 127 LEU N N 15 125.161 . . 1 . . . . 514 L N . 17139 1 1397 . 1 1 128 128 TYR H H 1 8.919 . . 1 . . . . 515 Y HN . 17139 1 1398 . 1 1 128 128 TYR HA H 1 4.775 . . 1 . . . . 515 Y HA . 17139 1 1399 . 1 1 128 128 TYR HB2 H 1 2.517 . . 2 . . . . 515 Y HB2 . 17139 1 1400 . 1 1 128 128 TYR HB3 H 1 2.570 . . 2 . . . . 515 Y HB3 . 17139 1 1401 . 1 1 128 128 TYR HD1 H 1 5.908 . . 3 . . . . 515 Y QD . 17139 1 1402 . 1 1 128 128 TYR HD2 H 1 5.908 . . 3 . . . . 515 Y QD . 17139 1 1403 . 1 1 128 128 TYR HE1 H 1 6.219 . . 3 . . . . 515 Y QE . 17139 1 1404 . 1 1 128 128 TYR HE2 H 1 6.219 . . 3 . . . . 515 Y QE . 17139 1 1405 . 1 1 128 128 TYR C C 13 174.999 . . 1 . . . . 515 Y C . 17139 1 1406 . 1 1 128 128 TYR CA C 13 56.522 . . 1 . . . . 515 Y CA . 17139 1 1407 . 1 1 128 128 TYR CB C 13 40.666 . . 1 . . . . 515 Y CB . 17139 1 1408 . 1 1 128 128 TYR N N 15 121.880 . . 1 . . . . 515 Y N . 17139 1 1409 . 1 1 129 129 SER H H 1 7.875 . . 1 . . . . 516 S HN . 17139 1 1410 . 1 1 129 129 SER HA H 1 4.581 . . 1 . . . . 516 S HA . 17139 1 1411 . 1 1 129 129 SER HB2 H 1 3.576 . . 2 . . . . 516 S HB2 . 17139 1 1412 . 1 1 129 129 SER HB3 H 1 3.737 . . 2 . . . . 516 S HB3 . 17139 1 1413 . 1 1 129 129 SER C C 13 174.515 . . 1 . . . . 516 S C . 17139 1 1414 . 1 1 129 129 SER CA C 13 54.942 . . 1 . . . . 516 S CA . 17139 1 1415 . 1 1 129 129 SER CB C 13 63.373 . . 1 . . . . 516 S CB . 17139 1 1416 . 1 1 129 129 SER N N 15 121.709 . . 1 . . . . 516 S N . 17139 1 1417 . 1 1 130 130 SER H H 1 8.641 . . 1 . . . . 517 S HN . 17139 1 1418 . 1 1 130 130 SER HA H 1 3.891 . . 1 . . . . 517 S HA . 17139 1 1419 . 1 1 130 130 SER HB2 H 1 3.917 . . 2 . . . . 517 S QB . 17139 1 1420 . 1 1 130 130 SER HB3 H 1 3.917 . . 2 . . . . 517 S QB . 17139 1 1421 . 1 1 130 130 SER C C 13 175.977 . . 1 . . . . 517 S C . 17139 1 1422 . 1 1 130 130 SER CA C 13 60.551 . . 1 . . . . 517 S CA . 17139 1 1423 . 1 1 130 130 SER CB C 13 62.846 . . 1 . . . . 517 S CB . 17139 1 1424 . 1 1 130 130 SER N N 15 124.566 . . 1 . . . . 517 S N . 17139 1 1425 . 1 1 131 131 LYS H H 1 7.928 . . 1 . . . . 518 K HN . 17139 1 1426 . 1 1 131 131 LYS HA H 1 4.065 . . 1 . . . . 518 K HA . 17139 1 1427 . 1 1 131 131 LYS HB2 H 1 1.713 . . 2 . . . . 518 K HB2 . 17139 1 1428 . 1 1 131 131 LYS HB3 H 1 1.652 . . 2 . . . . 518 K HB3 . 17139 1 1429 . 1 1 131 131 LYS HE2 H 1 2.944 . . 2 . . . . 518 K QE . 17139 1 1430 . 1 1 131 131 LYS HE3 H 1 2.944 . . 2 . . . . 518 K QE . 17139 1 1431 . 1 1 131 131 LYS HG2 H 1 1.451 . . 2 . . . . 518 K QG . 17139 1 1432 . 1 1 131 131 LYS HG3 H 1 1.451 . . 2 . . . . 518 K QG . 17139 1 1433 . 1 1 131 131 LYS C C 13 178.044 . . 1 . . . . 518 K C . 17139 1 1434 . 1 1 131 131 LYS CA C 13 58.609 . . 1 . . . . 518 K CA . 17139 1 1435 . 1 1 131 131 LYS CB C 13 32.352 . . 1 . . . . 518 K CB . 17139 1 1436 . 1 1 131 131 LYS N N 15 120.788 . . 1 . . . . 518 K N . 17139 1 1437 . 1 1 132 132 LYS H H 1 7.509 . . 1 . . . . 519 K HN . 17139 1 1438 . 1 1 132 132 LYS HA H 1 4.200 . . 1 . . . . 519 K HA . 17139 1 1439 . 1 1 132 132 LYS HB2 H 1 1.638 . . 2 . . . . 519 K QB . 17139 1 1440 . 1 1 132 132 LYS HB3 H 1 1.638 . . 2 . . . . 519 K QB . 17139 1 1441 . 1 1 132 132 LYS HE2 H 1 2.917 . . 2 . . . . 519 K QE . 17139 1 1442 . 1 1 132 132 LYS HE3 H 1 2.917 . . 2 . . . . 519 K QE . 17139 1 1443 . 1 1 132 132 LYS HG2 H 1 1.350 . . 2 . . . . 519 K QG . 17139 1 1444 . 1 1 132 132 LYS HG3 H 1 1.350 . . 2 . . . . 519 K QG . 17139 1 1445 . 1 1 132 132 LYS C C 13 175.307 . . 1 . . . . 519 K C . 17139 1 1446 . 1 1 132 132 LYS CA C 13 56.052 . . 1 . . . . 519 K CA . 17139 1 1447 . 1 1 132 132 LYS CB C 13 33.424 . . 1 . . . . 519 K CB . 17139 1 1448 . 1 1 132 132 LYS N N 15 114.952 . . 1 . . . . 519 K N . 17139 1 1449 . 1 1 133 133 LYS H H 1 7.871 . . 1 . . . . 520 K HN . 17139 1 1450 . 1 1 133 133 LYS HA H 1 3.756 . . 1 . . . . 520 K HA . 17139 1 1451 . 1 1 133 133 LYS HB2 H 1 1.616 . . 2 . . . . 520 K HB2 . 17139 1 1452 . 1 1 133 133 LYS HB3 H 1 1.548 . . 2 . . . . 520 K HB3 . 17139 1 1453 . 1 1 133 133 LYS HE2 H 1 2.971 . . 2 . . . . 520 K QE . 17139 1 1454 . 1 1 133 133 LYS HE3 H 1 2.971 . . 2 . . . . 520 K QE . 17139 1 1455 . 1 1 133 133 LYS HG2 H 1 1.266 . . 2 . . . . 520 K QG . 17139 1 1456 . 1 1 133 133 LYS HG3 H 1 1.266 . . 2 . . . . 520 K QG . 17139 1 1457 . 1 1 133 133 LYS C C 13 175.446 . . 1 . . . . 520 K C . 17139 1 1458 . 1 1 133 133 LYS CA C 13 56.927 . . 1 . . . . 520 K CA . 17139 1 1459 . 1 1 133 133 LYS CB C 13 28.533 . . 1 . . . . 520 K CB . 17139 1 1460 . 1 1 133 133 LYS N N 15 116.375 . . 1 . . . . 520 K N . 17139 1 1461 . 1 1 134 134 ILE H H 1 6.777 . . 1 . . . . 521 I HN . 17139 1 1462 . 1 1 134 134 ILE HA H 1 4.851 . . 1 . . . . 521 I HA . 17139 1 1463 . 1 1 134 134 ILE HB H 1 1.859 . . 1 . . . . 521 I HB . 17139 1 1464 . 1 1 134 134 ILE HD11 H 1 0.777 . . 1 . . . . 521 I QD1 . 17139 1 1465 . 1 1 134 134 ILE HD12 H 1 0.777 . . 1 . . . . 521 I QD1 . 17139 1 1466 . 1 1 134 134 ILE HD13 H 1 0.777 . . 1 . . . . 521 I QD1 . 17139 1 1467 . 1 1 134 134 ILE HG12 H 1 1.315 . . 1 . . . . 521 I QG1 . 17139 1 1468 . 1 1 134 134 ILE HG13 H 1 1.315 . . 1 . . . . 521 I QG1 . 17139 1 1469 . 1 1 134 134 ILE HG21 H 1 0.911 . . 1 . . . . 521 I QG2 . 17139 1 1470 . 1 1 134 134 ILE HG22 H 1 0.911 . . 1 . . . . 521 I QG2 . 17139 1 1471 . 1 1 134 134 ILE HG23 H 1 0.911 . . 1 . . . . 521 I QG2 . 17139 1 1472 . 1 1 134 134 ILE C C 13 173.854 . . 1 . . . . 521 I C . 17139 1 1473 . 1 1 134 134 ILE CA C 13 59.080 . . 1 . . . . 521 I CA . 17139 1 1474 . 1 1 134 134 ILE CB C 13 42.900 . . 1 . . . . 521 I CB . 17139 1 1475 . 1 1 134 134 ILE CD1 C 13 13.680 . . 1 . . . . 521 I CD1 . 17139 1 1476 . 1 1 134 134 ILE CG1 C 13 25.848 . . 1 . . . . 521 I CG1 . 17139 1 1477 . 1 1 134 134 ILE N N 15 110.709 . . 1 . . . . 521 I N . 17139 1 1478 . 1 1 135 135 PHE H H 1 9.198 . . 1 . . . . 522 F HN . 17139 1 1479 . 1 1 135 135 PHE HA H 1 5.162 . . 1 . . . . 522 F HA . 17139 1 1480 . 1 1 135 135 PHE HB2 H 1 3.574 . . 2 . . . . 522 F HB2 . 17139 1 1481 . 1 1 135 135 PHE HB3 H 1 2.887 . . 2 . . . . 522 F HB3 . 17139 1 1482 . 1 1 135 135 PHE HD1 H 1 7.263 . . 3 . . . . 522 F QD . 17139 1 1483 . 1 1 135 135 PHE HD2 H 1 7.263 . . 3 . . . . 522 F QD . 17139 1 1484 . 1 1 135 135 PHE HE1 H 1 6.971 . . 3 . . . . 522 F QE . 17139 1 1485 . 1 1 135 135 PHE HE2 H 1 6.971 . . 3 . . . . 522 F QE . 17139 1 1486 . 1 1 135 135 PHE HZ H 1 6.067 . . 1 . . . . 522 F HZ . 17139 1 1487 . 1 1 135 135 PHE C C 13 174.860 . . 1 . . . . 522 F C . 17139 1 1488 . 1 1 135 135 PHE CA C 13 58.033 . . 1 . . . . 522 F CA . 17139 1 1489 . 1 1 135 135 PHE CB C 13 40.318 . . 1 . . . . 522 F CB . 17139 1 1490 . 1 1 135 135 PHE N N 15 121.970 . . 1 . . . . 522 F N . 17139 1 1491 . 1 1 136 136 MET H H 1 9.234 . . 1 . . . . 523 M HN . 17139 1 1492 . 1 1 136 136 MET HA H 1 5.235 . . 1 . . . . 523 M HA . 17139 1 1493 . 1 1 136 136 MET HB2 H 1 2.013 . . 2 . . . . 523 M QB . 17139 1 1494 . 1 1 136 136 MET HB3 H 1 2.013 . . 2 . . . . 523 M QB . 17139 1 1495 . 1 1 136 136 MET HG2 H 1 2.482 . . 2 . . . . 523 M QG . 17139 1 1496 . 1 1 136 136 MET HG3 H 1 2.482 . . 2 . . . . 523 M QG . 17139 1 1497 . 1 1 136 136 MET C C 13 174.459 . . 1 . . . . 523 M C . 17139 1 1498 . 1 1 136 136 MET CA C 13 53.937 . . 1 . . . . 523 M CA . 17139 1 1499 . 1 1 136 136 MET CB C 13 35.328 . . 1 . . . . 523 M CB . 17139 1 1500 . 1 1 136 136 MET CG C 13 31.905 . . 1 . . . . 523 M CG . 17139 1 1501 . 1 1 136 136 MET N N 15 122.507 . . 1 . . . . 523 M N . 17139 1 1502 . 1 1 137 137 GLY H H 1 9.263 . . 1 . . . . 524 G HN . 17139 1 1503 . 1 1 137 137 GLY HA2 H 1 5.490 . . 2 . . . . 524 G HA1 . 17139 1 1504 . 1 1 137 137 GLY HA3 H 1 3.224 . . 2 . . . . 524 G HA2 . 17139 1 1505 . 1 1 137 137 GLY C C 13 171.815 . . 1 . . . . 524 G C . 17139 1 1506 . 1 1 137 137 GLY CA C 13 44.065 . . 1 . . . . 524 G CA . 17139 1 1507 . 1 1 137 137 GLY N N 15 109.580 . . 1 . . . . 524 G N . 17139 1 1508 . 1 1 138 138 LEU H H 1 9.630 . . 1 . . . . 525 L HN . 17139 1 1509 . 1 1 138 138 LEU HA H 1 5.190 . . 1 . . . . 525 L HA . 17139 1 1510 . 1 1 138 138 LEU HB2 H 1 1.537 . . 2 . . . . 525 L HB2 . 17139 1 1511 . 1 1 138 138 LEU HB3 H 1 1.357 . . 2 . . . . 525 L HB3 . 17139 1 1512 . 1 1 138 138 LEU HD11 H 1 0.697 . . 2 . . . . 525 L QD1 . 17139 1 1513 . 1 1 138 138 LEU HD12 H 1 0.697 . . 2 . . . . 525 L QD1 . 17139 1 1514 . 1 1 138 138 LEU HD13 H 1 0.697 . . 2 . . . . 525 L QD1 . 17139 1 1515 . 1 1 138 138 LEU HD21 H 1 0.719 . . 2 . . . . 525 L QD2 . 17139 1 1516 . 1 1 138 138 LEU HD22 H 1 0.719 . . 2 . . . . 525 L QD2 . 17139 1 1517 . 1 1 138 138 LEU HD23 H 1 0.719 . . 2 . . . . 525 L QD2 . 17139 1 1518 . 1 1 138 138 LEU C C 13 176.005 . . 1 . . . . 525 L C . 17139 1 1519 . 1 1 138 138 LEU CA C 13 53.562 . . 1 . . . . 525 L CA . 17139 1 1520 . 1 1 138 138 LEU CB C 13 43.016 . . 1 . . . . 525 L CB . 17139 1 1521 . 1 1 138 138 LEU CD1 C 13 25.564 . . 2 . . . . 525 L CD1 . 17139 1 1522 . 1 1 138 138 LEU CD2 C 13 24.471 . . 2 . . . . 525 L CD2 . 17139 1 1523 . 1 1 138 138 LEU CG C 13 28.508 . . 1 . . . . 525 L CG . 17139 1 1524 . 1 1 138 138 LEU N N 15 125.101 . . 1 . . . . 525 L N . 17139 1 1525 . 1 1 139 139 ILE H H 1 9.253 . . 1 . . . . 526 I HN . 17139 1 1526 . 1 1 139 139 ILE HA H 1 4.479 . . 1 . . . . 526 I HA . 17139 1 1527 . 1 1 139 139 ILE HB H 1 1.814 . . 1 . . . . 526 I HB . 17139 1 1528 . 1 1 139 139 ILE HD11 H 1 0.812 . . 1 . . . . 526 I QD1 . 17139 1 1529 . 1 1 139 139 ILE HD12 H 1 0.812 . . 1 . . . . 526 I QD1 . 17139 1 1530 . 1 1 139 139 ILE HD13 H 1 0.812 . . 1 . . . . 526 I QD1 . 17139 1 1531 . 1 1 139 139 ILE C C 13 174.273 . . 1 . . . . 526 I C . 17139 1 1532 . 1 1 139 139 ILE CA C 13 58.369 . . 1 . . . . 526 I CA . 17139 1 1533 . 1 1 139 139 ILE CB C 13 38.620 . . 1 . . . . 526 I CB . 17139 1 1534 . 1 1 139 139 ILE CD1 C 13 14.197 . . 1 . . . . 526 I CD1 . 17139 1 1535 . 1 1 139 139 ILE N N 15 123.068 . . 1 . . . . 526 I N . 17139 1 1536 . 1 1 140 140 PRO HA H 1 4.507 . . 1 . . . . 527 P HA . 17139 1 1537 . 1 1 140 140 PRO HD2 H 1 3.626 . . 2 . . . . 527 P HD2 . 17139 1 1538 . 1 1 140 140 PRO HD3 H 1 3.269 . . 2 . . . . 527 P HD3 . 17139 1 1539 . 1 1 140 140 PRO HG2 H 1 1.001 . . 2 . . . . 527 P QG . 17139 1 1540 . 1 1 140 140 PRO HG3 H 1 1.001 . . 2 . . . . 527 P QG . 17139 1 1541 . 1 1 140 140 PRO CA C 13 62.950 . . 1 . . . . 527 P CA . 17139 1 1542 . 1 1 140 140 PRO CB C 13 31.915 . . 1 . . . . 527 P CB . 17139 1 1543 . 1 1 140 140 PRO CD C 13 51.123 . . 1 . . . . 527 P CD . 17139 1 1544 . 1 1 140 140 PRO CG C 13 26.988 . . 1 . . . . 527 P CG . 17139 1 1545 . 1 1 140 140 PRO N N 15 127.000 . . 1 . . . . 527 P N . 17139 1 1546 . 1 1 141 141 TYR H H 1 8.583 . . 1 . . . . 528 Y HN . 17139 1 1547 . 1 1 141 141 TYR HA H 1 4.404 . . 1 . . . . 528 Y HA . 17139 1 1548 . 1 1 141 141 TYR HB2 H 1 3.078 . . 2 . . . . 528 Y HB2 . 17139 1 1549 . 1 1 141 141 TYR HB3 H 1 2.801 . . 2 . . . . 528 Y HB3 . 17139 1 1550 . 1 1 141 141 TYR HD1 H 1 7.096 . . 3 . . . . 528 Y QD . 17139 1 1551 . 1 1 141 141 TYR HD2 H 1 7.096 . . 3 . . . . 528 Y QD . 17139 1 1552 . 1 1 141 141 TYR HE1 H 1 6.726 . . 3 . . . . 528 Y QE . 17139 1 1553 . 1 1 141 141 TYR HE2 H 1 6.726 . . 3 . . . . 528 Y QE . 17139 1 1554 . 1 1 141 141 TYR C C 13 177.513 . . 1 . . . . 528 Y C . 17139 1 1555 . 1 1 141 141 TYR CA C 13 61.099 . . 1 . . . . 528 Y CA . 17139 1 1556 . 1 1 141 141 TYR CB C 13 37.994 . . 1 . . . . 528 Y CB . 17139 1 1557 . 1 1 141 141 TYR N N 15 123.300 . . 1 . . . . 528 Y N . 17139 1 1558 . 1 1 142 142 ASP H H 1 8.852 . . 1 . . . . 529 D HN . 17139 1 1559 . 1 1 142 142 ASP HA H 1 4.910 . . 1 . . . . 529 D HA . 17139 1 1560 . 1 1 142 142 ASP HB2 H 1 3.102 . . 2 . . . . 529 D HB2 . 17139 1 1561 . 1 1 142 142 ASP HB3 H 1 2.582 . . 2 . . . . 529 D HB3 . 17139 1 1562 . 1 1 142 142 ASP C C 13 176.228 . . 1 . . . . 529 D C . 17139 1 1563 . 1 1 142 142 ASP CA C 13 51.653 . . 1 . . . . 529 D CA . 17139 1 1564 . 1 1 142 142 ASP CB C 13 38.431 . . 1 . . . . 529 D CB . 17139 1 1565 . 1 1 142 142 ASP N N 15 118.783 . . 1 . . . . 529 D N . 17139 1 1566 . 1 1 143 143 GLN H H 1 7.860 . . 1 . . . . 530 Q HN . 17139 1 1567 . 1 1 143 143 GLN HA H 1 3.668 . . 1 . . . . 530 Q HA . 17139 1 1568 . 1 1 143 143 GLN HB2 H 1 2.225 . . 2 . . . . 530 Q QB . 17139 1 1569 . 1 1 143 143 GLN HB3 H 1 2.225 . . 2 . . . . 530 Q QB . 17139 1 1570 . 1 1 143 143 GLN HG2 H 1 2.549 . . 2 . . . . 530 Q HG2 . 17139 1 1571 . 1 1 143 143 GLN HG3 H 1 2.483 . . 2 . . . . 530 Q HG3 . 17139 1 1572 . 1 1 143 143 GLN C C 13 177.792 . . 1 . . . . 530 Q C . 17139 1 1573 . 1 1 143 143 GLN CA C 13 59.720 . . 1 . . . . 530 Q CA . 17139 1 1574 . 1 1 143 143 GLN CB C 13 29.759 . . 1 . . . . 530 Q CB . 17139 1 1575 . 1 1 143 143 GLN CG C 13 34.854 . . 1 . . . . 530 Q CG . 17139 1 1576 . 1 1 143 143 GLN N N 15 123.653 . . 1 . . . . 530 Q N . 17139 1 1577 . 1 1 144 144 SER H H 1 8.702 . . 1 . . . . 531 S HN . 17139 1 1578 . 1 1 144 144 SER HA H 1 4.124 . . 1 . . . . 531 S HA . 17139 1 1579 . 1 1 144 144 SER HB2 H 1 3.913 . . 2 . . . . 531 S HB2 . 17139 1 1580 . 1 1 144 144 SER HB3 H 1 3.872 . . 2 . . . . 531 S HB3 . 17139 1 1581 . 1 1 144 144 SER C C 13 177.150 . . 1 . . . . 531 S C . 17139 1 1582 . 1 1 144 144 SER CA C 13 61.536 . . 1 . . . . 531 S CA . 17139 1 1583 . 1 1 144 144 SER CB C 13 62.389 . . 1 . . . . 531 S CB . 17139 1 1584 . 1 1 144 144 SER N N 15 114.029 . . 1 . . . . 531 S N . 17139 1 1585 . 1 1 145 145 GLY H H 1 8.580 . . 1 . . . . 532 G HN . 17139 1 1586 . 1 1 145 145 GLY HA2 H 1 3.816 . . 2 . . . . 532 G QA . 17139 1 1587 . 1 1 145 145 GLY HA3 H 1 3.816 . . 2 . . . . 532 G QA . 17139 1 1588 . 1 1 145 145 GLY C C 13 176.982 . . 1 . . . . 532 G C . 17139 1 1589 . 1 1 145 145 GLY CA C 13 47.121 . . 1 . . . . 532 G CA . 17139 1 1590 . 1 1 145 145 GLY N N 15 110.516 . . 1 . . . . 532 G N . 17139 1 1591 . 1 1 146 146 PHE H H 1 8.476 . . 1 . . . . 533 F HN . 17139 1 1592 . 1 1 146 146 PHE HA H 1 4.090 . . 1 . . . . 533 F HA . 17139 1 1593 . 1 1 146 146 PHE HB2 H 1 3.079 . . 2 . . . . 533 F HB2 . 17139 1 1594 . 1 1 146 146 PHE HB3 H 1 3.004 . . 2 . . . . 533 F HB3 . 17139 1 1595 . 1 1 146 146 PHE HD1 H 1 7.047 . . 3 . . . . 533 F QD . 17139 1 1596 . 1 1 146 146 PHE HD2 H 1 7.047 . . 3 . . . . 533 F QD . 17139 1 1597 . 1 1 146 146 PHE C C 13 176.616 . . 1 . . . . 533 F C . 17139 1 1598 . 1 1 146 146 PHE CA C 13 62.230 . . 1 . . . . 533 F CA . 17139 1 1599 . 1 1 146 146 PHE CB C 13 38.888 . . 1 . . . . 533 F CB . 17139 1 1600 . 1 1 146 146 PHE N N 15 123.732 . . 1 . . . . 533 F N . 17139 1 1601 . 1 1 147 147 VAL H H 1 8.543 . . 1 . . . . 534 V HN . 17139 1 1602 . 1 1 147 147 VAL HA H 1 3.471 . . 1 . . . . 534 V HA . 17139 1 1603 . 1 1 147 147 VAL HB H 1 2.189 . . 1 . . . . 534 V HB . 17139 1 1604 . 1 1 147 147 VAL HG11 H 1 1.087 . . 2 . . . . 534 V QG1 . 17139 1 1605 . 1 1 147 147 VAL HG12 H 1 1.087 . . 2 . . . . 534 V QG1 . 17139 1 1606 . 1 1 147 147 VAL HG13 H 1 1.087 . . 2 . . . . 534 V QG1 . 17139 1 1607 . 1 1 147 147 VAL HG21 H 1 0.970 . . 2 . . . . 534 V QG2 . 17139 1 1608 . 1 1 147 147 VAL HG22 H 1 0.970 . . 2 . . . . 534 V QG2 . 17139 1 1609 . 1 1 147 147 VAL HG23 H 1 0.970 . . 2 . . . . 534 V QG2 . 17139 1 1610 . 1 1 147 147 VAL C C 13 178.351 . . 1 . . . . 534 V C . 17139 1 1611 . 1 1 147 147 VAL CA C 13 67.166 . . 1 . . . . 534 V CA . 17139 1 1612 . 1 1 147 147 VAL CB C 13 31.484 . . 1 . . . . 534 V CB . 17139 1 1613 . 1 1 147 147 VAL CG1 C 13 23.516 . . 2 . . . . 534 V CG1 . 17139 1 1614 . 1 1 147 147 VAL CG2 C 13 20.857 . . 2 . . . . 534 V CG2 . 17139 1 1615 . 1 1 147 147 VAL N N 15 118.825 . . 1 . . . . 534 V N . 17139 1 1616 . 1 1 148 148 ASN H H 1 7.912 . . 1 . . . . 535 N HN . 17139 1 1617 . 1 1 148 148 ASN HA H 1 4.428 . . 1 . . . . 535 N HA . 17139 1 1618 . 1 1 148 148 ASN HB2 H 1 2.812 . . 2 . . . . 535 N QB . 17139 1 1619 . 1 1 148 148 ASN HB3 H 1 2.812 . . 2 . . . . 535 N QB . 17139 1 1620 . 1 1 148 148 ASN C C 13 177.625 . . 1 . . . . 535 N C . 17139 1 1621 . 1 1 148 148 ASN CA C 13 56.018 . . 1 . . . . 535 N CA . 17139 1 1622 . 1 1 148 148 ASN CB C 13 38.188 . . 1 . . . . 535 N CB . 17139 1 1623 . 1 1 148 148 ASN N N 15 116.734 . . 1 . . . . 535 N N . 17139 1 1624 . 1 1 149 149 GLY H H 1 8.188 . . 1 . . . . 536 G HN . 17139 1 1625 . 1 1 149 149 GLY HA2 H 1 3.846 . . 2 . . . . 536 G HA1 . 17139 1 1626 . 1 1 149 149 GLY HA3 H 1 3.502 . . 2 . . . . 536 G HA2 . 17139 1 1627 . 1 1 149 149 GLY C C 13 175.754 . . 1 . . . . 536 G C . 17139 1 1628 . 1 1 149 149 GLY CA C 13 47.020 . . 1 . . . . 536 G CA . 17139 1 1629 . 1 1 149 149 GLY N N 15 108.414 . . 1 . . . . 536 G N . 17139 1 1630 . 1 1 150 150 ILE H H 1 8.625 . . 1 . . . . 537 I HN . 17139 1 1631 . 1 1 150 150 ILE HA H 1 3.874 . . 1 . . . . 537 I HA . 17139 1 1632 . 1 1 150 150 ILE HB H 1 1.530 . . 1 . . . . 537 I HB . 17139 1 1633 . 1 1 150 150 ILE HD11 H 1 0.605 . . 1 . . . . 537 I QD1 . 17139 1 1634 . 1 1 150 150 ILE HD12 H 1 0.605 . . 1 . . . . 537 I QD1 . 17139 1 1635 . 1 1 150 150 ILE HD13 H 1 0.605 . . 1 . . . . 537 I QD1 . 17139 1 1636 . 1 1 150 150 ILE HG12 H 1 1.246 . . 2 . . . . 537 I HG12 . 17139 1 1637 . 1 1 150 150 ILE HG13 H 1 1.125 . . 2 . . . . 537 I HG13 . 17139 1 1638 . 1 1 150 150 ILE HG21 H 1 0.885 . . 1 . . . . 537 I QG2 . 17139 1 1639 . 1 1 150 150 ILE HG22 H 1 0.885 . . 1 . . . . 537 I QG2 . 17139 1 1640 . 1 1 150 150 ILE HG23 H 1 0.885 . . 1 . . . . 537 I QG2 . 17139 1 1641 . 1 1 150 150 ILE C C 13 176.871 . . 1 . . . . 537 I C . 17139 1 1642 . 1 1 150 150 ILE CA C 13 62.331 . . 1 . . . . 537 I CA . 17139 1 1643 . 1 1 150 150 ILE CB C 13 36.921 . . 1 . . . . 537 I CB . 17139 1 1644 . 1 1 150 150 ILE CD1 C 13 13.031 . . 1 . . . . 537 I CD1 . 17139 1 1645 . 1 1 150 150 ILE CG1 C 13 28.540 . . 1 . . . . 537 I CG1 . 17139 1 1646 . 1 1 150 150 ILE N N 15 121.877 . . 1 . . . . 537 I N . 17139 1 1647 . 1 1 151 151 ARG H H 1 7.608 . . 1 . . . . 538 R HN . 17139 1 1648 . 1 1 151 151 ARG HA H 1 3.990 . . 1 . . . . 538 R HA . 17139 1 1649 . 1 1 151 151 ARG HB2 H 1 1.924 . . 2 . . . . 538 R QB . 17139 1 1650 . 1 1 151 151 ARG HB3 H 1 1.924 . . 2 . . . . 538 R QB . 17139 1 1651 . 1 1 151 151 ARG HD2 H 1 3.180 . . 2 . . . . 538 R QD . 17139 1 1652 . 1 1 151 151 ARG HD3 H 1 3.180 . . 2 . . . . 538 R QD . 17139 1 1653 . 1 1 151 151 ARG HG2 H 1 1.610 . . 2 . . . . 538 R QG . 17139 1 1654 . 1 1 151 151 ARG HG3 H 1 1.610 . . 2 . . . . 538 R QG . 17139 1 1655 . 1 1 151 151 ARG C C 13 178.742 . . 1 . . . . 538 R C . 17139 1 1656 . 1 1 151 151 ARG CA C 13 59.376 . . 1 . . . . 538 R CA . 17139 1 1657 . 1 1 151 151 ARG CB C 13 29.491 . . 1 . . . . 538 R CB . 17139 1 1658 . 1 1 151 151 ARG CD C 13 43.793 . . 1 . . . . 538 R CD . 17139 1 1659 . 1 1 151 151 ARG CG C 13 27.972 . . 1 . . . . 538 R CG . 17139 1 1660 . 1 1 151 151 ARG N N 15 120.885 . . 1 . . . . 538 R N . 17139 1 1661 . 1 1 152 152 GLN H H 1 7.687 . . 1 . . . . 539 Q HN . 17139 1 1662 . 1 1 152 152 GLN HA H 1 4.085 . . 1 . . . . 539 Q HA . 17139 1 1663 . 1 1 152 152 GLN HB2 H 1 2.154 . . 2 . . . . 539 Q QB . 17139 1 1664 . 1 1 152 152 GLN HB3 H 1 2.154 . . 2 . . . . 539 Q QB . 17139 1 1665 . 1 1 152 152 GLN HG2 H 1 2.435 . . 2 . . . . 539 Q HG2 . 17139 1 1666 . 1 1 152 152 GLN HG3 H 1 2.361 . . 2 . . . . 539 Q HG3 . 17139 1 1667 . 1 1 152 152 GLN C C 13 177.681 . . 1 . . . . 539 Q C . 17139 1 1668 . 1 1 152 152 GLN CA C 13 58.436 . . 1 . . . . 539 Q CA . 17139 1 1669 . 1 1 152 152 GLN CB C 13 28.623 . . 1 . . . . 539 Q CB . 17139 1 1670 . 1 1 152 152 GLN CG C 13 34.407 . . 1 . . . . 539 Q CG . 17139 1 1671 . 1 1 152 152 GLN N N 15 117.484 . . 1 . . . . 539 Q N . 17139 1 1672 . 1 1 153 153 VAL H H 1 7.794 . . 1 . . . . 540 V HN . 17139 1 1673 . 1 1 153 153 VAL HA H 1 4.008 . . 1 . . . . 540 V HA . 17139 1 1674 . 1 1 153 153 VAL HB H 1 2.203 . . 1 . . . . 540 V HB . 17139 1 1675 . 1 1 153 153 VAL HG11 H 1 0.936 . . 2 . . . . 540 V QG1 . 17139 1 1676 . 1 1 153 153 VAL HG12 H 1 0.936 . . 2 . . . . 540 V QG1 . 17139 1 1677 . 1 1 153 153 VAL HG13 H 1 0.936 . . 2 . . . . 540 V QG1 . 17139 1 1678 . 1 1 153 153 VAL HG21 H 1 1.013 . . 2 . . . . 540 V QG2 . 17139 1 1679 . 1 1 153 153 VAL HG22 H 1 1.013 . . 2 . . . . 540 V QG2 . 17139 1 1680 . 1 1 153 153 VAL HG23 H 1 1.013 . . 2 . . . . 540 V QG2 . 17139 1 1681 . 1 1 153 153 VAL C C 13 178.072 . . 1 . . . . 540 V C . 17139 1 1682 . 1 1 153 153 VAL CA C 13 64.916 . . 1 . . . . 540 V CA . 17139 1 1683 . 1 1 153 153 VAL CB C 13 31.662 . . 1 . . . . 540 V CB . 17139 1 1684 . 1 1 153 153 VAL CG1 C 13 21.804 . . 2 . . . . 540 V CG1 . 17139 1 1685 . 1 1 153 153 VAL CG2 C 13 21.356 . . 2 . . . . 540 V CG2 . 17139 1 1686 . 1 1 153 153 VAL N N 15 116.721 . . 1 . . . . 540 V N . 17139 1 1687 . 1 1 154 154 ILE H H 1 8.127 . . 1 . . . . 541 I HN . 17139 1 1688 . 1 1 154 154 ILE HA H 1 3.965 . . 1 . . . . 541 I HA . 17139 1 1689 . 1 1 154 154 ILE HB H 1 1.999 . . 1 . . . . 541 I HB . 17139 1 1690 . 1 1 154 154 ILE HD11 H 1 0.812 . . 1 . . . . 541 I QD1 . 17139 1 1691 . 1 1 154 154 ILE HD12 H 1 0.812 . . 1 . . . . 541 I QD1 . 17139 1 1692 . 1 1 154 154 ILE HD13 H 1 0.812 . . 1 . . . . 541 I QD1 . 17139 1 1693 . 1 1 154 154 ILE HG12 H 1 1.629 . . 1 . . . . 541 I QG1 . 17139 1 1694 . 1 1 154 154 ILE HG13 H 1 1.629 . . 1 . . . . 541 I QG1 . 17139 1 1695 . 1 1 154 154 ILE HG21 H 1 0.938 . . 1 . . . . 541 I QG2 . 17139 1 1696 . 1 1 154 154 ILE HG22 H 1 0.938 . . 1 . . . . 541 I QG2 . 17139 1 1697 . 1 1 154 154 ILE HG23 H 1 0.938 . . 1 . . . . 541 I QG2 . 17139 1 1698 . 1 1 154 154 ILE C C 13 177.652 . . 1 . . . . 541 I C . 17139 1 1699 . 1 1 154 154 ILE CA C 13 63.730 . . 1 . . . . 541 I CA . 17139 1 1700 . 1 1 154 154 ILE CB C 13 37.805 . . 1 . . . . 541 I CB . 17139 1 1701 . 1 1 154 154 ILE CD1 C 13 13.093 . . 1 . . . . 541 I CD1 . 17139 1 1702 . 1 1 154 154 ILE CG1 C 13 28.776 . . 1 . . . . 541 I CG1 . 17139 1 1703 . 1 1 154 154 ILE CG2 C 13 17.692 . . 1 . . . . 541 I CG2 . 17139 1 1704 . 1 1 154 154 ILE N N 15 119.673 . . 1 . . . . 541 I N . 17139 1 1705 . 1 1 155 155 THR H H 1 8.030 . . 1 . . . . 542 T HN . 17139 1 1706 . 1 1 155 155 THR HA H 1 4.061 . . 1 . . . . 542 T HA . 17139 1 1707 . 1 1 155 155 THR HB H 1 4.249 . . 1 . . . . 542 T HB . 17139 1 1708 . 1 1 155 155 THR HG21 H 1 1.189 . . 1 . . . . 542 T QG2 . 17139 1 1709 . 1 1 155 155 THR HG22 H 1 1.189 . . 1 . . . . 542 T QG2 . 17139 1 1710 . 1 1 155 155 THR HG23 H 1 1.189 . . 1 . . . . 542 T QG2 . 17139 1 1711 . 1 1 155 155 THR C C 13 175.335 . . 1 . . . . 542 T C . 17139 1 1712 . 1 1 155 155 THR CA C 13 64.748 . . 1 . . . . 542 T CA . 17139 1 1713 . 1 1 155 155 THR CB C 13 69.209 . . 1 . . . . 542 T CB . 17139 1 1714 . 1 1 155 155 THR N N 15 115.859 . . 1 . . . . 542 T N . 17139 1 1715 . 1 1 156 156 ASN H H 1 8.195 . . 1 . . . . 543 N HN . 17139 1 1716 . 1 1 156 156 ASN HA H 1 4.622 . . 1 . . . . 543 N HA . 17139 1 1717 . 1 1 156 156 ASN HB2 H 1 2.869 . . 2 . . . . 543 N QB . 17139 1 1718 . 1 1 156 156 ASN HB3 H 1 2.869 . . 2 . . . . 543 N QB . 17139 1 1719 . 1 1 156 156 ASN C C 13 175.586 . . 1 . . . . 543 N C . 17139 1 1720 . 1 1 156 156 ASN CA C 13 54.437 . . 1 . . . . 543 N CA . 17139 1 1721 . 1 1 156 156 ASN CB C 13 38.546 . . 1 . . . . 543 N CB . 17139 1 1722 . 1 1 156 156 ASN N N 15 119.691 . . 1 . . . . 543 N N . 17139 1 1723 . 1 1 157 157 HIS H H 1 8.138 . . 1 . . . . 544 H HN . 17139 1 1724 . 1 1 157 157 HIS HA H 1 4.545 . . 1 . . . . 544 H HA . 17139 1 1725 . 1 1 157 157 HIS HB2 H 1 3.286 . . 2 . . . . 544 H HB2 . 17139 1 1726 . 1 1 157 157 HIS HB3 H 1 3.126 . . 2 . . . . 544 H HB3 . 17139 1 1727 . 1 1 157 157 HIS C C 13 175.502 . . 1 . . . . 544 H C . 17139 1 1728 . 1 1 157 157 HIS CA C 13 57.294 . . 1 . . . . 544 H CA . 17139 1 1729 . 1 1 157 157 HIS CB C 13 29.859 . . 1 . . . . 544 H CB . 17139 1 1730 . 1 1 157 157 HIS N N 15 119.668 . . 1 . . . . 544 H N . 17139 1 1731 . 1 1 158 158 LYS H H 1 8.135 . . 1 . . . . 545 K HN . 17139 1 1732 . 1 1 158 158 LYS HA H 1 4.183 . . 1 . . . . 545 K HA . 17139 1 1733 . 1 1 158 158 LYS HB2 H 1 1.829 . . 2 . . . . 545 K QB . 17139 1 1734 . 1 1 158 158 LYS HB3 H 1 1.829 . . 2 . . . . 545 K QB . 17139 1 1735 . 1 1 158 158 LYS HE2 H 1 2.984 . . 2 . . . . 545 K QE . 17139 1 1736 . 1 1 158 158 LYS HE3 H 1 2.984 . . 2 . . . . 545 K QE . 17139 1 1737 . 1 1 158 158 LYS CA C 13 57.297 . . 1 . . . . 545 K CA . 17139 1 1738 . 1 1 158 158 LYS CB C 13 32.798 . . 1 . . . . 545 K CB . 17139 1 1739 . 1 1 158 158 LYS N N 15 120.992 . . 1 . . . . 545 K N . 17139 1 1740 . 1 1 159 159 GLN H H 1 8.212 . . 1 . . . . 546 Q HN . 17139 1 1741 . 1 1 159 159 GLN HA H 1 4.264 . . 1 . . . . 546 Q HA . 17139 1 1742 . 1 1 159 159 GLN HB2 H 1 2.085 . . 2 . . . . 546 Q QB . 17139 1 1743 . 1 1 159 159 GLN HB3 H 1 2.085 . . 2 . . . . 546 Q QB . 17139 1 1744 . 1 1 159 159 GLN HG2 H 1 2.404 . . 2 . . . . 546 Q QG . 17139 1 1745 . 1 1 159 159 GLN HG3 H 1 2.404 . . 2 . . . . 546 Q QG . 17139 1 1746 . 1 1 159 159 GLN C C 13 176.532 . . 1 . . . . 546 Q C . 17139 1 1747 . 1 1 159 159 GLN CA C 13 56.523 . . 1 . . . . 546 Q CA . 17139 1 1748 . 1 1 159 159 GLN CB C 13 28.891 . . 1 . . . . 546 Q CB . 17139 1 1749 . 1 1 159 159 GLN CG C 13 34.407 . . 1 . . . . 546 Q CG . 17139 1 1750 . 1 1 159 159 GLN N N 15 120.105 . . 1 . . . . 546 Q N . 17139 1 1751 . 1 1 160 160 VAL H H 1 8.084 . . 1 . . . . 547 V HN . 17139 1 1752 . 1 1 160 160 VAL HA H 1 4.026 . . 1 . . . . 547 V HA . 17139 1 1753 . 1 1 160 160 VAL HB H 1 2.114 . . 1 . . . . 547 V HB . 17139 1 1754 . 1 1 160 160 VAL HG11 H 1 0.930 . . 2 . . . . 547 V QG1 . 17139 1 1755 . 1 1 160 160 VAL HG12 H 1 0.930 . . 2 . . . . 547 V QG1 . 17139 1 1756 . 1 1 160 160 VAL HG13 H 1 0.930 . . 2 . . . . 547 V QG1 . 17139 1 1757 . 1 1 160 160 VAL HG21 H 1 0.895 . . 2 . . . . 547 V QG2 . 17139 1 1758 . 1 1 160 160 VAL HG22 H 1 0.895 . . 2 . . . . 547 V QG2 . 17139 1 1759 . 1 1 160 160 VAL HG23 H 1 0.895 . . 2 . . . . 547 V QG2 . 17139 1 1760 . 1 1 160 160 VAL CA C 13 62.983 . . 1 . . . . 547 V CA . 17139 1 1761 . 1 1 160 160 VAL CB C 13 32.173 . . 1 . . . . 547 V CB . 17139 1 1762 . 1 1 160 160 VAL CG1 C 13 21.220 . . 2 . . . . 547 V CG1 . 17139 1 1763 . 1 1 160 160 VAL CG2 C 13 21.200 . . 2 . . . . 547 V CG2 . 17139 1 1764 . 1 1 160 160 VAL N N 15 120.681 . . 1 . . . . 547 V N . 17139 1 1765 . 1 1 161 161 GLN H H 1 8.330 . . 1 . . . . 548 Q HN . 17139 1 1766 . 1 1 161 161 GLN HA H 1 4.293 . . 1 . . . . 548 Q HA . 17139 1 1767 . 1 1 161 161 GLN N N 15 122.859 . . 1 . . . . 548 Q N . 17139 1 1768 . 1 1 164 164 LYS H H 1 8.328 . . 1 . . . . 551 K HN . 17139 1 1769 . 1 1 164 164 LYS HA H 1 4.279 . . 1 . . . . 551 K HA . 17139 1 1770 . 1 1 164 164 LYS CA C 13 56.157 . . 1 . . . . 551 K CA . 17139 1 1771 . 1 1 164 164 LYS CB C 13 32.467 . . 1 . . . . 551 K CB . 17139 1 1772 . 1 1 164 164 LYS N N 15 122.739 . . 1 . . . . 551 K N . 17139 1 1773 . 1 1 165 165 LEU H H 1 8.376 . . 1 . . . . 552 L HN . 17139 1 1774 . 1 1 165 165 LEU HA H 1 4.359 . . 1 . . . . 552 L HA . 17139 1 1775 . 1 1 165 165 LEU HB2 H 1 1.617 . . 2 . . . . 552 L QB . 17139 1 1776 . 1 1 165 165 LEU HB3 H 1 1.617 . . 2 . . . . 552 L QB . 17139 1 1777 . 1 1 165 165 LEU HD11 H 1 0.818 . . 2 . . . . 552 L QD1 . 17139 1 1778 . 1 1 165 165 LEU HD12 H 1 0.818 . . 2 . . . . 552 L QD1 . 17139 1 1779 . 1 1 165 165 LEU HD13 H 1 0.818 . . 2 . . . . 552 L QD1 . 17139 1 1780 . 1 1 165 165 LEU HD21 H 1 0.884 . . 2 . . . . 552 L QD2 . 17139 1 1781 . 1 1 165 165 LEU HD22 H 1 0.884 . . 2 . . . . 552 L QD2 . 17139 1 1782 . 1 1 165 165 LEU HD23 H 1 0.884 . . 2 . . . . 552 L QD2 . 17139 1 1783 . 1 1 165 165 LEU CA C 13 55.110 . . 1 . . . . 552 L CA . 17139 1 1784 . 1 1 165 165 LEU CB C 13 41.838 . . 1 . . . . 552 L CB . 17139 1 1785 . 1 1 165 165 LEU CD1 C 13 23.138 . . 2 . . . . 552 L CD1 . 17139 1 1786 . 1 1 165 165 LEU CD2 C 13 25.064 . . 2 . . . . 552 L CD2 . 17139 1 1787 . 1 1 165 165 LEU CG C 13 27.390 . . 1 . . . . 552 L CG . 17139 1 1788 . 1 1 165 165 LEU N N 15 124.803 . . 1 . . . . 552 L N . 17139 1 1789 . 1 1 166 166 GLU H H 1 7.866 . . 1 . . . . 553 E HN . 17139 1 1790 . 1 1 166 166 GLU CA C 13 57.734 . . 1 . . . . 553 E CA . 17139 1 1791 . 1 1 166 166 GLU CB C 13 31.100 . . 1 . . . . 553 E CB . 17139 1 1792 . 1 1 166 166 GLU N N 15 126.131 . . 1 . . . . 553 E N . 17139 1 stop_ save_