data_17512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17512 _Entry.Title ; 1H, 13C, and 15N resonance assignments for S. aureus primase C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-07 _Entry.Accession_date 2011-03-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Matthew Shortridge . D. . 17512 2 Mark Griep . A. . 17512 3 Robert Powers . . . 17512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 565 17512 '15N chemical shifts' 135 17512 '1H chemical shifts' 849 17512 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 3 . . 2012-11-06 2011-03-07 update BMRB 'delete outlier 0.00 of 50 HIS CD2' 17512 2 . . 2012-04-06 2011-03-07 update BMRB 'update entry citation' 17512 1 . . 2011-06-07 2011-03-07 original author 'original release' 17512 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LZN 'BMRB Entry Tracking System' 17512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21644056 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N NMR assignments for the helicase interaction domain of Staphylococcus aureus DnaG primase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 35 _Citation.Page_last 38 _Citation.Year 2012 _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 Matthew Shortridge . D. . 17512 1 2 Mark Griep . A. . 17512 1 3 Robert Powers . . . 17512 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C-terminal domain' 17512 1 DnaG 17512 1 NMR 17512 1 primase 17512 1 'protein structure' 17512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17512 _Assembly.ID 1 _Assembly.Name 'primase CTD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17291.0 _Assembly.Enzyme_commission_number 2.7.7.- _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 'c-terminal domain' 1 $primase_CTD A . yes native no no . . . 17512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_primase_CTD _Entity.Sf_category entity _Entity.Sf_framecode primase_CTD _Entity.Entry_ID 17512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name primase_CTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FDNLSRQEKAERAFLKHLMR DKDTFLNYYESVDKDNFTNQ HFKYVFEVLHDFYAENDQYN ISDAVQYVNSNELRETLISL EQYNLNDEPYENEIDDYVNV INEKGQETIESLNHKLREAT RIGDVELQKYYLQQIVAKNK ERM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.7.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LZN . "Solution Structure Of S. Aureus Primase C-terminal Domain" . . . . . 100.00 143 100.00 100.00 1.43e-96 . . . . 17512 1 2 no DBJ BAA19493 . "dnaG [Staphylococcus aureus]" . . . . . 100.00 572 98.60 99.30 9.91e-91 . . . . 17512 1 3 no DBJ BAB42654 . "DNA primase [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 605 100.00 100.00 7.62e-92 . . . . 17512 1 4 no DBJ BAB57724 . "DNA primase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 605 100.00 100.00 7.62e-92 . . . . 17512 1 5 no DBJ BAB95379 . "DNA primase [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 605 100.00 100.00 8.95e-92 . . . . 17512 1 6 no DBJ BAF67737 . "DNA primase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 599 100.00 100.00 5.63e-92 . . . . 17512 1 7 no EMBL CAG40634 . "DNA primase [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 599 98.60 99.30 1.98e-90 . . . . 17512 1 8 no EMBL CAG43301 . "DNA primase [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 605 100.00 100.00 1.11e-91 . . . . 17512 1 9 no EMBL CAI81123 . "DNA primase [Staphylococcus aureus RF122]" . . . . . 100.00 599 98.60 99.30 2.09e-90 . . . . 17512 1 10 no EMBL CAQ50051 . "DNA primase [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 599 98.60 99.30 2.16e-90 . . . . 17512 1 11 no EMBL CBI49436 . "DNA primase [Staphylococcus aureus subsp. aureus TW20]" . . . . . 100.00 599 100.00 100.00 5.63e-92 . . . . 17512 1 12 no GB AAW38235 . "DNA primase [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 599 100.00 100.00 5.63e-92 . . . . 17512 1 13 no GB ABD22184 . "DNA primase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 599 100.00 100.00 5.63e-92 . . . . 17512 1 14 no GB ABD30738 . "DNA primase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 599 100.00 100.00 5.63e-92 . . . . 17512 1 15 no GB ABQ49413 . "DNA primase [Staphylococcus aureus subsp. aureus JH9]" . . . . . 100.00 605 100.00 100.00 8.67e-92 . . . . 17512 1 16 no GB ABR52502 . "DNA primase [Staphylococcus aureus subsp. aureus JH1]" . . . . . 100.00 605 100.00 100.00 8.67e-92 . . . . 17512 1 17 no REF WP_000320523 . "DNA primase, partial [Staphylococcus aureus]" . . . . . 100.00 507 98.60 99.30 2.33e-91 . . . . 17512 1 18 no REF WP_001217234 . "DNA primase [Staphylococcus aureus]" . . . . . 100.00 605 100.00 100.00 1.11e-91 . . . . 17512 1 19 no REF WP_001217235 . "DNA primase [Staphylococcus aureus]" . . . . . 100.00 605 100.00 100.00 8.95e-92 . . . . 17512 1 20 no REF WP_001217236 . "DNA primase [Staphylococcus aureus]" . . . . . 100.00 605 100.00 100.00 9.34e-92 . . . . 17512 1 21 no REF WP_001217237 . "DNA primase [Staphylococcus aureus]" . . . . . 100.00 599 98.60 99.30 2.09e-90 . . . . 17512 1 22 no SP O05338 . "RecName: Full=DNA primase" . . . . . 100.00 605 98.60 99.30 2.21e-90 . . . . 17512 1 23 no SP P63964 . "RecName: Full=DNA primase" . . . . . 100.00 605 100.00 100.00 7.62e-92 . . . . 17512 1 24 no SP P63965 . "RecName: Full=DNA primase" . . . . . 100.00 605 100.00 100.00 7.62e-92 . . . . 17512 1 25 no SP Q5HFJ8 . "RecName: Full=DNA primase" . . . . . 100.00 599 100.00 100.00 5.63e-92 . . . . 17512 1 26 no SP Q6G904 . "RecName: Full=DNA primase" . . . . . 100.00 605 100.00 100.00 1.11e-91 . . . . 17512 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'bacterial DnaG primase' 17512 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 1 463 PHE . 17512 1 2 464 ASP . 17512 1 3 465 ASN . 17512 1 4 466 LEU . 17512 1 5 467 SER . 17512 1 6 468 ARG . 17512 1 7 469 GLN . 17512 1 8 470 GLU . 17512 1 9 471 LYS . 17512 1 10 472 ALA . 17512 1 11 473 GLU . 17512 1 12 474 ARG . 17512 1 13 475 ALA . 17512 1 14 476 PHE . 17512 1 15 477 LEU . 17512 1 16 478 LYS . 17512 1 17 479 HIS . 17512 1 18 480 LEU . 17512 1 19 481 MET . 17512 1 20 482 ARG . 17512 1 21 483 ASP . 17512 1 22 484 LYS . 17512 1 23 485 ASP . 17512 1 24 486 THR . 17512 1 25 487 PHE . 17512 1 26 488 LEU . 17512 1 27 489 ASN . 17512 1 28 490 TYR . 17512 1 29 491 TYR . 17512 1 30 492 GLU . 17512 1 31 493 SER . 17512 1 32 494 VAL . 17512 1 33 495 ASP . 17512 1 34 496 LYS . 17512 1 35 497 ASP . 17512 1 36 498 ASN . 17512 1 37 499 PHE . 17512 1 38 500 THR . 17512 1 39 501 ASN . 17512 1 40 502 GLN . 17512 1 41 503 HIS . 17512 1 42 504 PHE . 17512 1 43 505 LYS . 17512 1 44 506 TYR . 17512 1 45 507 VAL . 17512 1 46 508 PHE . 17512 1 47 509 GLU . 17512 1 48 510 VAL . 17512 1 49 511 LEU . 17512 1 50 512 HIS . 17512 1 51 513 ASP . 17512 1 52 514 PHE . 17512 1 53 515 TYR . 17512 1 54 516 ALA . 17512 1 55 517 GLU . 17512 1 56 518 ASN . 17512 1 57 519 ASP . 17512 1 58 520 GLN . 17512 1 59 521 TYR . 17512 1 60 522 ASN . 17512 1 61 523 ILE . 17512 1 62 524 SER . 17512 1 63 525 ASP . 17512 1 64 526 ALA . 17512 1 65 527 VAL . 17512 1 66 528 GLN . 17512 1 67 529 TYR . 17512 1 68 530 VAL . 17512 1 69 531 ASN . 17512 1 70 532 SER . 17512 1 71 533 ASN . 17512 1 72 534 GLU . 17512 1 73 535 LEU . 17512 1 74 536 ARG . 17512 1 75 537 GLU . 17512 1 76 538 THR . 17512 1 77 539 LEU . 17512 1 78 540 ILE . 17512 1 79 541 SER . 17512 1 80 542 LEU . 17512 1 81 543 GLU . 17512 1 82 544 GLN . 17512 1 83 545 TYR . 17512 1 84 546 ASN . 17512 1 85 547 LEU . 17512 1 86 548 ASN . 17512 1 87 549 ASP . 17512 1 88 550 GLU . 17512 1 89 551 PRO . 17512 1 90 552 TYR . 17512 1 91 553 GLU . 17512 1 92 554 ASN . 17512 1 93 555 GLU . 17512 1 94 556 ILE . 17512 1 95 557 ASP . 17512 1 96 558 ASP . 17512 1 97 559 TYR . 17512 1 98 560 VAL . 17512 1 99 561 ASN . 17512 1 100 562 VAL . 17512 1 101 563 ILE . 17512 1 102 564 ASN . 17512 1 103 565 GLU . 17512 1 104 566 LYS . 17512 1 105 567 GLY . 17512 1 106 568 GLN . 17512 1 107 569 GLU . 17512 1 108 570 THR . 17512 1 109 571 ILE . 17512 1 110 572 GLU . 17512 1 111 573 SER . 17512 1 112 574 LEU . 17512 1 113 575 ASN . 17512 1 114 576 HIS . 17512 1 115 577 LYS . 17512 1 116 578 LEU . 17512 1 117 579 ARG . 17512 1 118 580 GLU . 17512 1 119 581 ALA . 17512 1 120 582 THR . 17512 1 121 583 ARG . 17512 1 122 584 ILE . 17512 1 123 585 GLY . 17512 1 124 586 ASP . 17512 1 125 587 VAL . 17512 1 126 588 GLU . 17512 1 127 589 LEU . 17512 1 128 590 GLN . 17512 1 129 591 LYS . 17512 1 130 592 TYR . 17512 1 131 593 TYR . 17512 1 132 594 LEU . 17512 1 133 595 GLN . 17512 1 134 596 GLN . 17512 1 135 597 ILE . 17512 1 136 598 VAL . 17512 1 137 599 ALA . 17512 1 138 600 LYS . 17512 1 139 601 ASN . 17512 1 140 602 LYS . 17512 1 141 603 GLU . 17512 1 142 604 ARG . 17512 1 143 605 MET . 17512 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 . PHE 1 1 17512 1 . ASP 2 2 17512 1 . ASN 3 3 17512 1 . LEU 4 4 17512 1 . SER 5 5 17512 1 . ARG 6 6 17512 1 . GLN 7 7 17512 1 . GLU 8 8 17512 1 . LYS 9 9 17512 1 . ALA 10 10 17512 1 . GLU 11 11 17512 1 . ARG 12 12 17512 1 . ALA 13 13 17512 1 . PHE 14 14 17512 1 . LEU 15 15 17512 1 . LYS 16 16 17512 1 . HIS 17 17 17512 1 . LEU 18 18 17512 1 . MET 19 19 17512 1 . ARG 20 20 17512 1 . ASP 21 21 17512 1 . LYS 22 22 17512 1 . ASP 23 23 17512 1 . THR 24 24 17512 1 . PHE 25 25 17512 1 . LEU 26 26 17512 1 . ASN 27 27 17512 1 . TYR 28 28 17512 1 . TYR 29 29 17512 1 . GLU 30 30 17512 1 . SER 31 31 17512 1 . VAL 32 32 17512 1 . ASP 33 33 17512 1 . LYS 34 34 17512 1 . ASP 35 35 17512 1 . ASN 36 36 17512 1 . PHE 37 37 17512 1 . THR 38 38 17512 1 . ASN 39 39 17512 1 . GLN 40 40 17512 1 . HIS 41 41 17512 1 . PHE 42 42 17512 1 . LYS 43 43 17512 1 . TYR 44 44 17512 1 . VAL 45 45 17512 1 . PHE 46 46 17512 1 . GLU 47 47 17512 1 . VAL 48 48 17512 1 . LEU 49 49 17512 1 . HIS 50 50 17512 1 . ASP 51 51 17512 1 . PHE 52 52 17512 1 . TYR 53 53 17512 1 . ALA 54 54 17512 1 . GLU 55 55 17512 1 . ASN 56 56 17512 1 . ASP 57 57 17512 1 . GLN 58 58 17512 1 . TYR 59 59 17512 1 . ASN 60 60 17512 1 . ILE 61 61 17512 1 . SER 62 62 17512 1 . ASP 63 63 17512 1 . ALA 64 64 17512 1 . VAL 65 65 17512 1 . GLN 66 66 17512 1 . TYR 67 67 17512 1 . VAL 68 68 17512 1 . ASN 69 69 17512 1 . SER 70 70 17512 1 . ASN 71 71 17512 1 . GLU 72 72 17512 1 . LEU 73 73 17512 1 . ARG 74 74 17512 1 . GLU 75 75 17512 1 . THR 76 76 17512 1 . LEU 77 77 17512 1 . ILE 78 78 17512 1 . SER 79 79 17512 1 . LEU 80 80 17512 1 . GLU 81 81 17512 1 . GLN 82 82 17512 1 . TYR 83 83 17512 1 . ASN 84 84 17512 1 . LEU 85 85 17512 1 . ASN 86 86 17512 1 . ASP 87 87 17512 1 . GLU 88 88 17512 1 . PRO 89 89 17512 1 . TYR 90 90 17512 1 . GLU 91 91 17512 1 . ASN 92 92 17512 1 . GLU 93 93 17512 1 . ILE 94 94 17512 1 . ASP 95 95 17512 1 . ASP 96 96 17512 1 . TYR 97 97 17512 1 . VAL 98 98 17512 1 . ASN 99 99 17512 1 . VAL 100 100 17512 1 . ILE 101 101 17512 1 . ASN 102 102 17512 1 . GLU 103 103 17512 1 . LYS 104 104 17512 1 . GLY 105 105 17512 1 . GLN 106 106 17512 1 . GLU 107 107 17512 1 . THR 108 108 17512 1 . ILE 109 109 17512 1 . GLU 110 110 17512 1 . SER 111 111 17512 1 . LEU 112 112 17512 1 . ASN 113 113 17512 1 . HIS 114 114 17512 1 . LYS 115 115 17512 1 . LEU 116 116 17512 1 . ARG 117 117 17512 1 . GLU 118 118 17512 1 . ALA 119 119 17512 1 . THR 120 120 17512 1 . ARG 121 121 17512 1 . ILE 122 122 17512 1 . GLY 123 123 17512 1 . ASP 124 124 17512 1 . VAL 125 125 17512 1 . GLU 126 126 17512 1 . LEU 127 127 17512 1 . GLN 128 128 17512 1 . LYS 129 129 17512 1 . TYR 130 130 17512 1 . TYR 131 131 17512 1 . LEU 132 132 17512 1 . GLN 133 133 17512 1 . GLN 134 134 17512 1 . ILE 135 135 17512 1 . VAL 136 136 17512 1 . ALA 137 137 17512 1 . LYS 138 138 17512 1 . ASN 139 139 17512 1 . LYS 140 140 17512 1 . GLU 141 141 17512 1 . ARG 142 142 17512 1 . MET 143 143 17512 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 17512 _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 $primase_CTD . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 17512 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 17512 _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 $primase_CTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . n/a . . . . . . 17512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17512 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'primase CTD' '[U-100% 13C; U-100% 15N]' . . 1 $primase_CTD . . 1.4 . . mM . . . . 17512 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17512 _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 pH 6.6 . pH 17512 1 pressure 1.0 . atm 17512 1 temperature 298 . K 17512 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17512 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17512 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17512 1 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 17512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17512 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 17512 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 17512 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 3 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 4 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 5 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 7 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 9 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 10 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 12 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 13 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 14 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17512 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17512 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17512 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17512 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17512 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17512 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 17512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17512 1 5 '3D CBCA(CO)NH' . . . 17512 1 6 '3D HNCO' . . . 17512 1 7 '3D HNCA' . . . 17512 1 9 '3D HCCH-COSY' . . . 17512 1 10 '3D HN(CO)CA' . . . 17512 1 11 '3D 1H-15N NOESY' . . . 17512 1 13 '3D 1H-13C NOESY aromatic' . . . 17512 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 1 1 PHE H H 1 8.15 0.021 . . . . . . 463 PHE H . 17512 1 2 . 1 1 1 1 PHE HA H 1 4.53 0.021 . . . . . . 463 PHE HA . 17512 1 3 . 1 1 1 1 PHE HB2 H 1 2.91 0.022 . . . . . . 463 PHE HB2 . 17512 1 4 . 1 1 1 1 PHE HB3 H 1 3.09 0.022 . . . . . . 463 PHE HB3 . 17512 1 5 . 1 1 1 1 PHE HD1 H 1 7.19 0.023 . . . . . . 463 PHE HD1 . 17512 1 6 . 1 1 1 1 PHE HE1 H 1 7.16 0.023 . . . . . . 463 PHE HE1 . 17512 1 7 . 1 1 1 1 PHE HZ H 1 7.14 0.021 . . . . . . 463 PHE HZ . 17512 1 8 . 1 1 1 1 PHE C C 13 172.63 0.301 . . . . . . 463 PHE CO . 17512 1 9 . 1 1 1 1 PHE CA C 13 57.72 0.301 . . . . . . 463 PHE CA . 17512 1 10 . 1 1 1 1 PHE CB C 13 39.22 0.301 . . . . . . 463 PHE CB . 17512 1 11 . 1 1 1 1 PHE CD1 C 13 131.63 0.303 . . . . . . 463 PHE CD1 . 17512 1 12 . 1 1 1 1 PHE CE1 C 13 130.51 0.303 . . . . . . 463 PHE CE1 . 17512 1 13 . 1 1 1 1 PHE CZ C 13 129.55 0.301 . . . . . . 463 PHE CZ . 17512 1 14 . 1 1 1 1 PHE N N 15 119.76 0.301 . . . . . . 463 PHE N . 17512 1 15 . 1 1 2 2 ASP H H 1 8.02 0.021 . . . . . . 464 ASP H . 17512 1 16 . 1 1 2 2 ASP HA H 1 4.51 0.021 . . . . . . 464 ASP HA . 17512 1 17 . 1 1 2 2 ASP HB2 H 1 2.49 0.022 . . . . . . 464 ASP HB2 . 17512 1 18 . 1 1 2 2 ASP HB3 H 1 2.60 0.022 . . . . . . 464 ASP HB3 . 17512 1 19 . 1 1 2 2 ASP C C 13 173.42 0.301 . . . . . . 464 ASP CO . 17512 1 20 . 1 1 2 2 ASP CA C 13 54.33 0.301 . . . . . . 464 ASP CA . 17512 1 21 . 1 1 2 2 ASP CB C 13 41.47 0.301 . . . . . . 464 ASP CB . 17512 1 22 . 1 1 2 2 ASP N N 15 120.96 0.301 . . . . . . 464 ASP N . 17512 1 23 . 1 1 3 3 ASN H H 1 8.22 0.021 . . . . . . 465 ASN H . 17512 1 24 . 1 1 3 3 ASN HA H 1 4.52 0.021 . . . . . . 465 ASN HA . 17512 1 25 . 1 1 3 3 ASN HB2 H 1 2.57 0.022 . . . . . . 465 ASN HB2 . 17512 1 26 . 1 1 3 3 ASN HB3 H 1 2.64 0.022 . . . . . . 465 ASN HB3 . 17512 1 27 . 1 1 3 3 ASN C C 13 172.25 0.301 . . . . . . 465 ASN CO . 17512 1 28 . 1 1 3 3 ASN CA C 13 53.16 0.301 . . . . . . 465 ASN CA . 17512 1 29 . 1 1 3 3 ASN CB C 13 38.86 0.301 . . . . . . 465 ASN CB . 17512 1 30 . 1 1 3 3 ASN N N 15 119.31 0.301 . . . . . . 465 ASN N . 17512 1 31 . 1 1 4 4 LEU H H 1 7.84 0.021 . . . . . . 466 LEU H . 17512 1 32 . 1 1 4 4 LEU HA H 1 4.40 0.021 . . . . . . 466 LEU HA . 17512 1 33 . 1 1 4 4 LEU HB2 H 1 1.37 0.022 . . . . . . 466 LEU HB2 . 17512 1 34 . 1 1 4 4 LEU HB3 H 1 1.51 0.022 . . . . . . 466 LEU HB3 . 17512 1 35 . 1 1 4 4 LEU HG H 1 1.60 0.021 . . . . . . 466 LEU HG . 17512 1 36 . 1 1 4 4 LEU HD11 H 1 0.69 0.022 . . . . . . 466 LEU HD1# . 17512 1 37 . 1 1 4 4 LEU HD12 H 1 0.69 0.022 . . . . . . 466 LEU HD1# . 17512 1 38 . 1 1 4 4 LEU HD13 H 1 0.69 0.022 . . . . . . 466 LEU HD1# . 17512 1 39 . 1 1 4 4 LEU HD21 H 1 0.69 0.022 . . . . . . 466 LEU HD2# . 17512 1 40 . 1 1 4 4 LEU HD22 H 1 0.69 0.022 . . . . . . 466 LEU HD2# . 17512 1 41 . 1 1 4 4 LEU HD23 H 1 0.69 0.022 . . . . . . 466 LEU HD2# . 17512 1 42 . 1 1 4 4 LEU C C 13 174.70 0.301 . . . . . . 466 LEU CO . 17512 1 43 . 1 1 4 4 LEU CA C 13 54.83 0.301 . . . . . . 466 LEU CA . 17512 1 44 . 1 1 4 4 LEU CB C 13 43.43 0.301 . . . . . . 466 LEU CB . 17512 1 45 . 1 1 4 4 LEU CG C 13 26.81 0.301 . . . . . . 466 LEU CG . 17512 1 46 . 1 1 4 4 LEU CD1 C 13 22.83 0.302 . . . . . . 466 LEU CD1 . 17512 1 47 . 1 1 4 4 LEU CD2 C 13 22.83 0.302 . . . . . . 466 LEU CD2 . 17512 1 48 . 1 1 4 4 LEU N N 15 121.16 0.301 . . . . . . 466 LEU N . 17512 1 49 . 1 1 5 5 SER H H 1 9.24 0.021 . . . . . . 467 SER H . 17512 1 50 . 1 1 5 5 SER HA H 1 4.43 0.021 . . . . . . 467 SER HA . 17512 1 51 . 1 1 5 5 SER C C 13 171.76 0.301 . . . . . . 467 SER CO . 17512 1 52 . 1 1 5 5 SER CA C 13 57.53 0.301 . . . . . . 467 SER CA . 17512 1 53 . 1 1 5 5 SER CB C 13 65.60 0.301 . . . . . . 467 SER CB . 17512 1 54 . 1 1 5 5 SER N N 15 119.10 0.301 . . . . . . 467 SER N . 17512 1 55 . 1 1 6 6 ARG H H 1 8.81 0.021 . . . . . . 468 ARG H . 17512 1 56 . 1 1 6 6 ARG HA H 1 3.77 0.021 . . . . . . 468 ARG HA . 17512 1 57 . 1 1 6 6 ARG HB2 H 1 1.86 0.022 . . . . . . 468 ARG HB2 . 17512 1 58 . 1 1 6 6 ARG HB3 H 1 1.81 0.022 . . . . . . 468 ARG HB3 . 17512 1 59 . 1 1 6 6 ARG HG2 H 1 1.56 0.022 . . . . . . 468 ARG HG2 . 17512 1 60 . 1 1 6 6 ARG HG3 H 1 1.56 0.022 . . . . . . 468 ARG HG3 . 17512 1 61 . 1 1 6 6 ARG HD2 H 1 2.80 0.022 . . . . . . 468 ARG HD2 . 17512 1 62 . 1 1 6 6 ARG HD3 H 1 2.80 0.022 . . . . . . 468 ARG HD3 . 17512 1 63 . 1 1 6 6 ARG C C 13 176.49 0.301 . . . . . . 468 ARG CO . 17512 1 64 . 1 1 6 6 ARG CA C 13 60.09 0.301 . . . . . . 468 ARG CA . 17512 1 65 . 1 1 6 6 ARG CB C 13 31.20 0.301 . . . . . . 468 ARG CB . 17512 1 66 . 1 1 6 6 ARG CG C 13 27.68 0.301 . . . . . . 468 ARG CG . 17512 1 67 . 1 1 6 6 ARG CD C 13 42.02 0.301 . . . . . . 468 ARG CD . 17512 1 68 . 1 1 6 6 ARG N N 15 121.12 0.301 . . . . . . 468 ARG N . 17512 1 69 . 1 1 7 7 GLN H H 1 8.35 0.021 . . . . . . 469 GLN H . 17512 1 70 . 1 1 7 7 GLN HA H 1 3.87 0.021 . . . . . . 469 GLN HA . 17512 1 71 . 1 1 7 7 GLN HB2 H 1 2.04 0.022 . . . . . . 469 GLN HB2 . 17512 1 72 . 1 1 7 7 GLN HB3 H 1 2.04 0.022 . . . . . . 469 GLN HB3 . 17512 1 73 . 1 1 7 7 GLN HG2 H 1 2.40 0.022 . . . . . . 469 GLN HG2 . 17512 1 74 . 1 1 7 7 GLN HG3 H 1 2.67 0.022 . . . . . . 469 GLN HG3 . 17512 1 75 . 1 1 7 7 GLN C C 13 175.01 0.301 . . . . . . 469 GLN CO . 17512 1 76 . 1 1 7 7 GLN CA C 13 59.67 0.301 . . . . . . 469 GLN CA . 17512 1 77 . 1 1 7 7 GLN CB C 13 27.95 0.301 . . . . . . 469 GLN CB . 17512 1 78 . 1 1 7 7 GLN CG C 13 34.46 0.301 . . . . . . 469 GLN CG . 17512 1 79 . 1 1 7 7 GLN N N 15 118.10 0.301 . . . . . . 469 GLN N . 17512 1 80 . 1 1 8 8 GLU H H 1 7.78 0.021 . . . . . . 470 GLU H . 17512 1 81 . 1 1 8 8 GLU HA H 1 3.80 0.021 . . . . . . 470 GLU HA . 17512 1 82 . 1 1 8 8 GLU HB2 H 1 2.04 0.022 . . . . . . 470 GLU HB2 . 17512 1 83 . 1 1 8 8 GLU HB3 H 1 2.04 0.022 . . . . . . 470 GLU HB3 . 17512 1 84 . 1 1 8 8 GLU HG2 H 1 2.30 0.022 . . . . . . 470 GLU HG2 . 17512 1 85 . 1 1 8 8 GLU HG3 H 1 2.30 0.022 . . . . . . 470 GLU HG3 . 17512 1 86 . 1 1 8 8 GLU C C 13 176.27 0.301 . . . . . . 470 GLU CO . 17512 1 87 . 1 1 8 8 GLU CA C 13 59.66 0.301 . . . . . . 470 GLU CA . 17512 1 88 . 1 1 8 8 GLU CB C 13 31.77 0.301 . . . . . . 470 GLU CB . 17512 1 89 . 1 1 8 8 GLU N N 15 118.16 0.301 . . . . . . 470 GLU N . 17512 1 90 . 1 1 9 9 LYS H H 1 8.60 0.021 . . . . . . 471 LYS H . 17512 1 91 . 1 1 9 9 LYS HA H 1 3.70 0.021 . . . . . . 471 LYS HA . 17512 1 92 . 1 1 9 9 LYS HB2 H 1 1.89 0.022 . . . . . . 471 LYS HB2 . 17512 1 93 . 1 1 9 9 LYS HB3 H 1 1.89 0.022 . . . . . . 471 LYS HB3 . 17512 1 94 . 1 1 9 9 LYS HG2 H 1 1.14 0.022 . . . . . . 471 LYS HG2 . 17512 1 95 . 1 1 9 9 LYS HG3 H 1 1.14 0.022 . . . . . . 471 LYS HG3 . 17512 1 96 . 1 1 9 9 LYS HD2 H 1 1.62 0.022 . . . . . . 471 LYS HD2 . 17512 1 97 . 1 1 9 9 LYS HD3 H 1 1.62 0.022 . . . . . . 471 LYS HD3 . 17512 1 98 . 1 1 9 9 LYS C C 13 177.09 0.301 . . . . . . 471 LYS CO . 17512 1 99 . 1 1 9 9 LYS CA C 13 60.54 0.301 . . . . . . 471 LYS CA . 17512 1 100 . 1 1 9 9 LYS CB C 13 32.25 0.301 . . . . . . 471 LYS CB . 17512 1 101 . 1 1 9 9 LYS CG C 13 27.95 0.301 . . . . . . 471 LYS CG . 17512 1 102 . 1 1 9 9 LYS CD C 13 29.91 0.301 . . . . . . 471 LYS CD . 17512 1 103 . 1 1 9 9 LYS N N 15 118.40 0.301 . . . . . . 471 LYS N . 17512 1 104 . 1 1 10 10 ALA H H 1 7.38 0.021 . . . . . . 472 ALA H . 17512 1 105 . 1 1 10 10 ALA HA H 1 4.04 0.021 . . . . . . 472 ALA HA . 17512 1 106 . 1 1 10 10 ALA HB1 H 1 1.59 0.021 . . . . . . 472 ALA HB# . 17512 1 107 . 1 1 10 10 ALA HB2 H 1 1.59 0.021 . . . . . . 472 ALA HB# . 17512 1 108 . 1 1 10 10 ALA HB3 H 1 1.59 0.021 . . . . . . 472 ALA HB# . 17512 1 109 . 1 1 10 10 ALA C C 13 175.78 0.301 . . . . . . 472 ALA CO . 17512 1 110 . 1 1 10 10 ALA CA C 13 55.23 0.301 . . . . . . 472 ALA CA . 17512 1 111 . 1 1 10 10 ALA CB C 13 18.45 0.301 . . . . . . 472 ALA CB . 17512 1 112 . 1 1 10 10 ALA N N 15 123.66 0.301 . . . . . . 472 ALA N . 17512 1 113 . 1 1 11 11 GLU H H 1 8.00 0.021 . . . . . . 473 GLU H . 17512 1 114 . 1 1 11 11 GLU HA H 1 3.84 0.021 . . . . . . 473 GLU HA . 17512 1 115 . 1 1 11 11 GLU HB2 H 1 2.03 0.022 . . . . . . 473 GLU HB2 . 17512 1 116 . 1 1 11 11 GLU HB3 H 1 2.03 0.022 . . . . . . 473 GLU HB3 . 17512 1 117 . 1 1 11 11 GLU HG2 H 1 2.43 0.022 . . . . . . 473 GLU HG2 . 17512 1 118 . 1 1 11 11 GLU HG3 H 1 2.43 0.022 . . . . . . 473 GLU HG3 . 17512 1 119 . 1 1 11 11 GLU C C 13 174.90 0.301 . . . . . . 473 GLU CO . 17512 1 120 . 1 1 11 11 GLU CA C 13 60.05 0.301 . . . . . . 473 GLU CA . 17512 1 121 . 1 1 11 11 GLU CB C 13 30.58 0.301 . . . . . . 473 GLU CB . 17512 1 122 . 1 1 11 11 GLU CG C 13 36.93 0.301 . . . . . . 473 GLU CG . 17512 1 123 . 1 1 11 11 GLU N N 15 118.96 0.301 . . . . . . 473 GLU N . 17512 1 124 . 1 1 12 12 ARG H H 1 8.06 0.021 . . . . . . 474 ARG H . 17512 1 125 . 1 1 12 12 ARG HA H 1 4.23 0.021 . . . . . . 474 ARG HA . 17512 1 126 . 1 1 12 12 ARG HB2 H 1 1.90 0.022 . . . . . . 474 ARG HB2 . 17512 1 127 . 1 1 12 12 ARG HB3 H 1 1.90 0.022 . . . . . . 474 ARG HB3 . 17512 1 128 . 1 1 12 12 ARG HD2 H 1 3.20 0.022 . . . . . . 474 ARG HD2 . 17512 1 129 . 1 1 12 12 ARG HD3 H 1 3.20 0.022 . . . . . . 474 ARG HD3 . 17512 1 130 . 1 1 12 12 ARG C C 13 173.68 0.301 . . . . . . 474 ARG CO . 17512 1 131 . 1 1 12 12 ARG CA C 13 59.34 0.301 . . . . . . 474 ARG CA . 17512 1 132 . 1 1 12 12 ARG CB C 13 30.44 0.301 . . . . . . 474 ARG CB . 17512 1 133 . 1 1 12 12 ARG N N 15 117.33 0.301 . . . . . . 474 ARG N . 17512 1 134 . 1 1 13 13 ALA H H 1 7.22 0.021 . . . . . . 475 ALA H . 17512 1 135 . 1 1 13 13 ALA HA H 1 3.62 0.021 . . . . . . 475 ALA HA . 17512 1 136 . 1 1 13 13 ALA HB1 H 1 0.55 0.021 . . . . . . 475 ALA HB# . 17512 1 137 . 1 1 13 13 ALA HB2 H 1 0.55 0.021 . . . . . . 475 ALA HB# . 17512 1 138 . 1 1 13 13 ALA HB3 H 1 0.55 0.021 . . . . . . 475 ALA HB# . 17512 1 139 . 1 1 13 13 ALA C C 13 176.41 0.301 . . . . . . 475 ALA CO . 17512 1 140 . 1 1 13 13 ALA CA C 13 55.13 0.301 . . . . . . 475 ALA CA . 17512 1 141 . 1 1 13 13 ALA CB C 13 16.86 0.301 . . . . . . 475 ALA CB . 17512 1 142 . 1 1 13 13 ALA N N 15 118.88 0.301 . . . . . . 475 ALA N . 17512 1 143 . 1 1 14 14 PHE H H 1 8.19 0.021 . . . . . . 476 PHE H . 17512 1 144 . 1 1 14 14 PHE HA H 1 3.95 0.021 . . . . . . 476 PHE HA . 17512 1 145 . 1 1 14 14 PHE HB2 H 1 2.66 0.022 . . . . . . 476 PHE HB2 . 17512 1 146 . 1 1 14 14 PHE HB3 H 1 3.18 0.022 . . . . . . 476 PHE HB3 . 17512 1 147 . 1 1 14 14 PHE HD1 H 1 6.96 0.023 . . . . . . 476 PHE HD1 . 17512 1 148 . 1 1 14 14 PHE C C 13 174.14 0.301 . . . . . . 476 PHE CO . 17512 1 149 . 1 1 14 14 PHE CA C 13 61.36 0.301 . . . . . . 476 PHE CA . 17512 1 150 . 1 1 14 14 PHE CB C 13 40.45 0.301 . . . . . . 476 PHE CB . 17512 1 151 . 1 1 14 14 PHE CD1 C 13 131.77 0.303 . . . . . . 476 PHE CD1 . 17512 1 152 . 1 1 14 14 PHE N N 15 117.58 0.301 . . . . . . 476 PHE N . 17512 1 153 . 1 1 15 15 LEU H H 1 7.97 0.021 . . . . . . 477 LEU H . 17512 1 154 . 1 1 15 15 LEU HA H 1 4.01 0.021 . . . . . . 477 LEU HA . 17512 1 155 . 1 1 15 15 LEU HB2 H 1 1.98 0.022 . . . . . . 477 LEU HB2 . 17512 1 156 . 1 1 15 15 LEU HB3 H 1 1.98 0.022 . . . . . . 477 LEU HB3 . 17512 1 157 . 1 1 15 15 LEU HG H 1 1.45 0.021 . . . . . . 477 LEU HG . 17512 1 158 . 1 1 15 15 LEU HD11 H 1 0.88 0.022 . . . . . . 477 LEU HD1# . 17512 1 159 . 1 1 15 15 LEU HD12 H 1 0.88 0.022 . . . . . . 477 LEU HD1# . 17512 1 160 . 1 1 15 15 LEU HD13 H 1 0.88 0.022 . . . . . . 477 LEU HD1# . 17512 1 161 . 1 1 15 15 LEU HD21 H 1 0.88 0.022 . . . . . . 477 LEU HD2# . 17512 1 162 . 1 1 15 15 LEU HD22 H 1 0.88 0.022 . . . . . . 477 LEU HD2# . 17512 1 163 . 1 1 15 15 LEU HD23 H 1 0.88 0.022 . . . . . . 477 LEU HD2# . 17512 1 164 . 1 1 15 15 LEU C C 13 175.70 0.301 . . . . . . 477 LEU CO . 17512 1 165 . 1 1 15 15 LEU CA C 13 58.25 0.301 . . . . . . 477 LEU CA . 17512 1 166 . 1 1 15 15 LEU CB C 13 41.73 0.301 . . . . . . 477 LEU CB . 17512 1 167 . 1 1 15 15 LEU CG C 13 26.21 0.301 . . . . . . 477 LEU CG . 17512 1 168 . 1 1 15 15 LEU CD1 C 13 22.34 0.302 . . . . . . 477 LEU CD1 . 17512 1 169 . 1 1 15 15 LEU CD2 C 13 22.34 0.302 . . . . . . 477 LEU CD2 . 17512 1 170 . 1 1 15 15 LEU N N 15 116.51 0.301 . . . . . . 477 LEU N . 17512 1 171 . 1 1 16 16 LYS H H 1 7.89 0.021 . . . . . . 478 LYS H . 17512 1 172 . 1 1 16 16 LYS CA C 13 57.37 0.301 . . . . . . 478 LYS CA . 17512 1 173 . 1 1 16 16 LYS N N 15 116.48 0.301 . . . . . . 478 LYS N . 17512 1 174 . 1 1 19 19 MET HB2 H 1 1.57 0.022 . . . . . . 481 MET HB2 . 17512 1 175 . 1 1 19 19 MET HB3 H 1 3.47 0.022 . . . . . . 481 MET HB3 . 17512 1 176 . 1 1 19 19 MET C C 13 172.67 0.301 . . . . . . 481 MET CO . 17512 1 177 . 1 1 19 19 MET CA C 13 57.61 0.301 . . . . . . 481 MET CA . 17512 1 178 . 1 1 19 19 MET CB C 13 33.97 0.301 . . . . . . 481 MET CB . 17512 1 179 . 1 1 20 20 ARG H H 1 7.54 0.021 . . . . . . 482 ARG H . 17512 1 180 . 1 1 20 20 ARG HA H 1 3.98 0.021 . . . . . . 482 ARG HA . 17512 1 181 . 1 1 20 20 ARG HB2 H 1 1.92 0.022 . . . . . . 482 ARG HB2 . 17512 1 182 . 1 1 20 20 ARG HB3 H 1 1.87 0.022 . . . . . . 482 ARG HB3 . 17512 1 183 . 1 1 20 20 ARG HG2 H 1 1.63 0.022 . . . . . . 482 ARG HG2 . 17512 1 184 . 1 1 20 20 ARG HG3 H 1 1.73 0.022 . . . . . . 482 ARG HG3 . 17512 1 185 . 1 1 20 20 ARG HD2 H 1 3.14 0.022 . . . . . . 482 ARG HD2 . 17512 1 186 . 1 1 20 20 ARG HD3 H 1 3.14 0.022 . . . . . . 482 ARG HD3 . 17512 1 187 . 1 1 20 20 ARG C C 13 174.03 0.301 . . . . . . 482 ARG CO . 17512 1 188 . 1 1 20 20 ARG CA C 13 59.47 0.301 . . . . . . 482 ARG CA . 17512 1 189 . 1 1 20 20 ARG CB C 13 31.25 0.301 . . . . . . 482 ARG CB . 17512 1 190 . 1 1 20 20 ARG CG C 13 27.14 0.301 . . . . . . 482 ARG CG . 17512 1 191 . 1 1 20 20 ARG CD C 13 43.91 0.301 . . . . . . 482 ARG CD . 17512 1 192 . 1 1 20 20 ARG N N 15 119.85 0.301 . . . . . . 482 ARG N . 17512 1 193 . 1 1 21 21 ASP H H 1 6.91 0.021 . . . . . . 483 ASP H . 17512 1 194 . 1 1 21 21 ASP HA H 1 4.89 0.021 . . . . . . 483 ASP HA . 17512 1 195 . 1 1 21 21 ASP HB2 H 1 2.99 0.022 . . . . . . 483 ASP HB2 . 17512 1 196 . 1 1 21 21 ASP HB3 H 1 2.80 0.022 . . . . . . 483 ASP HB3 . 17512 1 197 . 1 1 21 21 ASP C C 13 171.58 0.301 . . . . . . 483 ASP CO . 17512 1 198 . 1 1 21 21 ASP CA C 13 53.81 0.301 . . . . . . 483 ASP CA . 17512 1 199 . 1 1 21 21 ASP CB C 13 43.31 0.301 . . . . . . 483 ASP CB . 17512 1 200 . 1 1 21 21 ASP N N 15 111.39 0.301 . . . . . . 483 ASP N . 17512 1 201 . 1 1 22 22 LYS H H 1 8.98 0.021 . . . . . . 484 LYS H . 17512 1 202 . 1 1 22 22 LYS HB2 H 1 3.06 0.022 . . . . . . 484 LYS HB2 . 17512 1 203 . 1 1 22 22 LYS HB3 H 1 3.06 0.022 . . . . . . 484 LYS HB3 . 17512 1 204 . 1 1 22 22 LYS C C 13 174.78 0.301 . . . . . . 484 LYS CO . 17512 1 205 . 1 1 22 22 LYS CA C 13 59.25 0.301 . . . . . . 484 LYS CA . 17512 1 206 . 1 1 22 22 LYS CB C 13 32.76 0.301 . . . . . . 484 LYS CB . 17512 1 207 . 1 1 22 22 LYS CG C 13 25.80 0.301 . . . . . . 484 LYS CG . 17512 1 208 . 1 1 22 22 LYS CD C 13 27.22 0.301 . . . . . . 484 LYS CD . 17512 1 209 . 1 1 22 22 LYS CE C 13 39.94 0.301 . . . . . . 484 LYS CE . 17512 1 210 . 1 1 22 22 LYS N N 15 124.57 0.301 . . . . . . 484 LYS N . 17512 1 211 . 1 1 23 23 ASP H H 1 8.39 0.021 . . . . . . 485 ASP H . 17512 1 212 . 1 1 23 23 ASP HA H 1 4.35 0.021 . . . . . . 485 ASP HA . 17512 1 213 . 1 1 23 23 ASP HB2 H 1 2.56 0.022 . . . . . . 485 ASP HB2 . 17512 1 214 . 1 1 23 23 ASP HB3 H 1 2.56 0.022 . . . . . . 485 ASP HB3 . 17512 1 215 . 1 1 23 23 ASP C C 13 176.61 0.301 . . . . . . 485 ASP CO . 17512 1 216 . 1 1 23 23 ASP CA C 13 58.06 0.301 . . . . . . 485 ASP CA . 17512 1 217 . 1 1 23 23 ASP CB C 13 40.55 0.301 . . . . . . 485 ASP CB . 17512 1 218 . 1 1 23 23 ASP N N 15 118.28 0.301 . . . . . . 485 ASP N . 17512 1 219 . 1 1 24 24 THR H H 1 8.21 0.021 . . . . . . 486 THR H . 17512 1 220 . 1 1 24 24 THR HA H 1 4.01 0.021 . . . . . . 486 THR HA . 17512 1 221 . 1 1 24 24 THR HB H 1 4.34 0.021 . . . . . . 486 THR HB . 17512 1 222 . 1 1 24 24 THR HG21 H 1 1.33 0.021 . . . . . . 486 THR HG2 . 17512 1 223 . 1 1 24 24 THR HG22 H 1 1.33 0.021 . . . . . . 486 THR HG2 . 17512 1 224 . 1 1 24 24 THR HG23 H 1 1.33 0.021 . . . . . . 486 THR HG2 . 17512 1 225 . 1 1 24 24 THR C C 13 173.72 0.301 . . . . . . 486 THR CO . 17512 1 226 . 1 1 24 24 THR CA C 13 67.53 0.301 . . . . . . 486 THR CA . 17512 1 227 . 1 1 24 24 THR CB C 13 67.71 0.301 . . . . . . 486 THR CB . 17512 1 228 . 1 1 24 24 THR CG2 C 13 22.47 0.301 . . . . . . 486 THR CG2 . 17512 1 229 . 1 1 24 24 THR N N 15 118.00 0.301 . . . . . . 486 THR N . 17512 1 230 . 1 1 25 25 PHE H H 1 7.53 0.021 . . . . . . 487 PHE H . 17512 1 231 . 1 1 25 25 PHE HA H 1 4.14 0.021 . . . . . . 487 PHE HA . 17512 1 232 . 1 1 25 25 PHE HB2 H 1 3.11 0.022 . . . . . . 487 PHE HB2 . 17512 1 233 . 1 1 25 25 PHE HB3 H 1 3.11 0.022 . . . . . . 487 PHE HB3 . 17512 1 234 . 1 1 25 25 PHE HD1 H 1 7.18 0.023 . . . . . . 487 PHE HD1 . 17512 1 235 . 1 1 25 25 PHE C C 13 174.18 0.301 . . . . . . 487 PHE CO . 17512 1 236 . 1 1 25 25 PHE CA C 13 62.81 0.301 . . . . . . 487 PHE CA . 17512 1 237 . 1 1 25 25 PHE CB C 13 38.52 0.301 . . . . . . 487 PHE CB . 17512 1 238 . 1 1 25 25 PHE CD1 C 13 132.27 0.303 . . . . . . 487 PHE CD1 . 17512 1 239 . 1 1 25 25 PHE N N 15 121.33 0.301 . . . . . . 487 PHE N . 17512 1 240 . 1 1 26 26 LEU H H 1 8.90 0.021 . . . . . . 488 LEU H . 17512 1 241 . 1 1 26 26 LEU HA H 1 3.85 0.021 . . . . . . 488 LEU HA . 17512 1 242 . 1 1 26 26 LEU HB2 H 1 1.79 0.022 . . . . . . 488 LEU HB2 . 17512 1 243 . 1 1 26 26 LEU HB3 H 1 1.79 0.022 . . . . . . 488 LEU HB3 . 17512 1 244 . 1 1 26 26 LEU HG H 1 1.36 0.021 . . . . . . 488 LEU HG . 17512 1 245 . 1 1 26 26 LEU HD11 H 1 0.80 0.022 . . . . . . 488 LEU HD1# . 17512 1 246 . 1 1 26 26 LEU HD12 H 1 0.80 0.022 . . . . . . 488 LEU HD1# . 17512 1 247 . 1 1 26 26 LEU HD13 H 1 0.80 0.022 . . . . . . 488 LEU HD1# . 17512 1 248 . 1 1 26 26 LEU HD21 H 1 0.80 0.022 . . . . . . 488 LEU HD2# . 17512 1 249 . 1 1 26 26 LEU HD22 H 1 0.80 0.022 . . . . . . 488 LEU HD2# . 17512 1 250 . 1 1 26 26 LEU HD23 H 1 0.80 0.022 . . . . . . 488 LEU HD2# . 17512 1 251 . 1 1 26 26 LEU C C 13 176.86 0.301 . . . . . . 488 LEU CO . 17512 1 252 . 1 1 26 26 LEU CA C 13 57.71 0.301 . . . . . . 488 LEU CA . 17512 1 253 . 1 1 26 26 LEU CB C 13 41.37 0.301 . . . . . . 488 LEU CB . 17512 1 254 . 1 1 26 26 LEU CG C 13 26.36 0.301 . . . . . . 488 LEU CG . 17512 1 255 . 1 1 26 26 LEU CD1 C 13 22.30 0.302 . . . . . . 488 LEU CD1 . 17512 1 256 . 1 1 26 26 LEU CD2 C 13 22.30 0.302 . . . . . . 488 LEU CD2 . 17512 1 257 . 1 1 26 26 LEU N N 15 118.84 0.301 . . . . . . 488 LEU N . 17512 1 258 . 1 1 27 27 ASN H H 1 7.90 0.021 . . . . . . 489 ASN H . 17512 1 259 . 1 1 27 27 ASN HA H 1 4.46 0.021 . . . . . . 489 ASN HA . 17512 1 260 . 1 1 27 27 ASN HB2 H 1 2.75 0.022 . . . . . . 489 ASN HB2 . 17512 1 261 . 1 1 27 27 ASN HB3 H 1 2.32 0.022 . . . . . . 489 ASN HB3 . 17512 1 262 . 1 1 27 27 ASN C C 13 173.84 0.301 . . . . . . 489 ASN CO . 17512 1 263 . 1 1 27 27 ASN CA C 13 54.93 0.301 . . . . . . 489 ASN CA . 17512 1 264 . 1 1 27 27 ASN CB C 13 39.80 0.301 . . . . . . 489 ASN CB . 17512 1 265 . 1 1 27 27 ASN N N 15 116.19 0.301 . . . . . . 489 ASN N . 17512 1 266 . 1 1 28 28 TYR H H 1 7.72 0.021 . . . . . . 490 TYR H . 17512 1 267 . 1 1 28 28 TYR HA H 1 4.76 0.021 . . . . . . 490 TYR HA . 17512 1 268 . 1 1 28 28 TYR HB2 H 1 2.63 0.022 . . . . . . 490 TYR HB2 . 17512 1 269 . 1 1 28 28 TYR HB3 H 1 3.20 0.022 . . . . . . 490 TYR HB3 . 17512 1 270 . 1 1 28 28 TYR HD1 H 1 7.34 0.023 . . . . . . 490 TYR HD1 . 17512 1 271 . 1 1 28 28 TYR HE1 H 1 6.85 0.023 . . . . . . 490 TYR HE1 . 17512 1 272 . 1 1 28 28 TYR C C 13 175.75 0.301 . . . . . . 490 TYR CO . 17512 1 273 . 1 1 28 28 TYR CA C 13 60.49 0.301 . . . . . . 490 TYR CA . 17512 1 274 . 1 1 28 28 TYR CB C 13 41.62 0.301 . . . . . . 490 TYR CB . 17512 1 275 . 1 1 28 28 TYR CD1 C 13 132.61 0.303 . . . . . . 490 TYR CD1 . 17512 1 276 . 1 1 28 28 TYR CE1 C 13 118.36 0.303 . . . . . . 490 TYR CE1 . 17512 1 277 . 1 1 28 28 TYR N N 15 114.46 0.301 . . . . . . 490 TYR N . 17512 1 278 . 1 1 29 29 TYR H H 1 8.82 0.021 . . . . . . 491 TYR H . 17512 1 279 . 1 1 29 29 TYR HA H 1 4.20 0.021 . . . . . . 491 TYR HA . 17512 1 280 . 1 1 29 29 TYR HB2 H 1 2.14 0.022 . . . . . . 491 TYR HB2 . 17512 1 281 . 1 1 29 29 TYR HB3 H 1 2.41 0.022 . . . . . . 491 TYR HB3 . 17512 1 282 . 1 1 29 29 TYR HD1 H 1 6.85 0.023 . . . . . . 491 TYR HD1 . 17512 1 283 . 1 1 29 29 TYR HE1 H 1 7.34 0.023 . . . . . . 491 TYR HE1 . 17512 1 284 . 1 1 29 29 TYR C C 13 173.12 0.301 . . . . . . 491 TYR CO . 17512 1 285 . 1 1 29 29 TYR CA C 13 62.70 0.301 . . . . . . 491 TYR CA . 17512 1 286 . 1 1 29 29 TYR CB C 13 36.73 0.301 . . . . . . 491 TYR CB . 17512 1 287 . 1 1 29 29 TYR CD1 C 13 132.51 0.303 . . . . . . 491 TYR CD1 . 17512 1 288 . 1 1 29 29 TYR CE1 C 13 117.81 0.303 . . . . . . 491 TYR CE1 . 17512 1 289 . 1 1 29 29 TYR N N 15 123.50 0.301 . . . . . . 491 TYR N . 17512 1 290 . 1 1 30 30 GLU H H 1 7.84 0.021 . . . . . . 492 GLU H . 17512 1 291 . 1 1 30 30 GLU HA H 1 4.17 0.021 . . . . . . 492 GLU HA . 17512 1 292 . 1 1 30 30 GLU HB2 H 1 2.00 0.022 . . . . . . 492 GLU HB2 . 17512 1 293 . 1 1 30 30 GLU HB3 H 1 2.00 0.022 . . . . . . 492 GLU HB3 . 17512 1 294 . 1 1 30 30 GLU HG2 H 1 2.45 0.022 . . . . . . 492 GLU HG2 . 17512 1 295 . 1 1 30 30 GLU HG3 H 1 2.45 0.022 . . . . . . 492 GLU HG3 . 17512 1 296 . 1 1 30 30 GLU C C 13 174.76 0.301 . . . . . . 492 GLU CO . 17512 1 297 . 1 1 30 30 GLU CA C 13 56.51 0.301 . . . . . . 492 GLU CA . 17512 1 298 . 1 1 30 30 GLU CB C 13 29.31 0.301 . . . . . . 492 GLU CB . 17512 1 299 . 1 1 30 30 GLU CG C 13 37.10 0.301 . . . . . . 492 GLU CG . 17512 1 300 . 1 1 30 30 GLU N N 15 113.73 0.301 . . . . . . 492 GLU N . 17512 1 301 . 1 1 31 31 SER H H 1 8.02 0.021 . . . . . . 493 SER H . 17512 1 302 . 1 1 31 31 SER HA H 1 4.13 0.021 . . . . . . 493 SER HA . 17512 1 303 . 1 1 31 31 SER HB2 H 1 3.94 0.022 . . . . . . 493 SER HB2 . 17512 1 304 . 1 1 31 31 SER HB3 H 1 3.94 0.022 . . . . . . 493 SER HB3 . 17512 1 305 . 1 1 31 31 SER C C 13 170.78 0.301 . . . . . . 493 SER CO . 17512 1 306 . 1 1 31 31 SER CA C 13 60.87 0.301 . . . . . . 493 SER CA . 17512 1 307 . 1 1 31 31 SER CB C 13 64.02 0.301 . . . . . . 493 SER CB . 17512 1 308 . 1 1 31 31 SER N N 15 114.94 0.301 . . . . . . 493 SER N . 17512 1 309 . 1 1 32 32 VAL H H 1 7.03 0.021 . . . . . . 494 VAL H . 17512 1 310 . 1 1 32 32 VAL HA H 1 4.47 0.021 . . . . . . 494 VAL HA . 17512 1 311 . 1 1 32 32 VAL HB H 1 1.60 0.021 . . . . . . 494 VAL HB . 17512 1 312 . 1 1 32 32 VAL HG11 H 1 0.31 0.022 . . . . . . 494 VAL HG1# . 17512 1 313 . 1 1 32 32 VAL HG12 H 1 0.31 0.022 . . . . . . 494 VAL HG1# . 17512 1 314 . 1 1 32 32 VAL HG13 H 1 0.31 0.022 . . . . . . 494 VAL HG1# . 17512 1 315 . 1 1 32 32 VAL HG21 H 1 0.37 0.022 . . . . . . 494 VAL HG2# . 17512 1 316 . 1 1 32 32 VAL HG22 H 1 0.37 0.022 . . . . . . 494 VAL HG2# . 17512 1 317 . 1 1 32 32 VAL HG23 H 1 0.37 0.022 . . . . . . 494 VAL HG2# . 17512 1 318 . 1 1 32 32 VAL C C 13 170.53 0.301 . . . . . . 494 VAL CO . 17512 1 319 . 1 1 32 32 VAL CA C 13 59.52 0.301 . . . . . . 494 VAL CA . 17512 1 320 . 1 1 32 32 VAL CB C 13 35.37 0.301 . . . . . . 494 VAL CB . 17512 1 321 . 1 1 32 32 VAL CG1 C 13 21.83 0.302 . . . . . . 494 VAL CG1 . 17512 1 322 . 1 1 32 32 VAL CG2 C 13 21.66 0.302 . . . . . . 494 VAL CG2 . 17512 1 323 . 1 1 32 32 VAL N N 15 115.13 0.301 . . . . . . 494 VAL N . 17512 1 324 . 1 1 33 33 ASP H H 1 7.18 0.021 . . . . . . 495 ASP H . 17512 1 325 . 1 1 33 33 ASP HA H 1 4.74 0.021 . . . . . . 495 ASP HA . 17512 1 326 . 1 1 33 33 ASP HB2 H 1 2.53 0.022 . . . . . . 495 ASP HB2 . 17512 1 327 . 1 1 33 33 ASP HB3 H 1 2.36 0.022 . . . . . . 495 ASP HB3 . 17512 1 328 . 1 1 33 33 ASP C C 13 174.94 0.301 . . . . . . 495 ASP CO . 17512 1 329 . 1 1 33 33 ASP CA C 13 52.88 0.301 . . . . . . 495 ASP CA . 17512 1 330 . 1 1 33 33 ASP CB C 13 43.00 0.301 . . . . . . 495 ASP CB . 17512 1 331 . 1 1 33 33 ASP N N 15 122.93 0.301 . . . . . . 495 ASP N . 17512 1 332 . 1 1 34 34 LYS H H 1 9.10 0.021 . . . . . . 496 LYS H . 17512 1 333 . 1 1 34 34 LYS HA H 1 4.10 0.021 . . . . . . 496 LYS HA . 17512 1 334 . 1 1 34 34 LYS HB2 H 1 1.92 0.022 . . . . . . 496 LYS HB2 . 17512 1 335 . 1 1 34 34 LYS HB3 H 1 1.92 0.022 . . . . . . 496 LYS HB3 . 17512 1 336 . 1 1 34 34 LYS HG2 H 1 1.45 0.022 . . . . . . 496 LYS HG2 . 17512 1 337 . 1 1 34 34 LYS HG3 H 1 1.45 0.022 . . . . . . 496 LYS HG3 . 17512 1 338 . 1 1 34 34 LYS HD2 H 1 1.65 0.022 . . . . . . 496 LYS HD2 . 17512 1 339 . 1 1 34 34 LYS HD3 H 1 1.65 0.022 . . . . . . 496 LYS HD3 . 17512 1 340 . 1 1 34 34 LYS HE2 H 1 2.93 0.022 . . . . . . 496 LYS HE2 . 17512 1 341 . 1 1 34 34 LYS HE3 H 1 2.93 0.022 . . . . . . 496 LYS HE3 . 17512 1 342 . 1 1 34 34 LYS C C 13 173.87 0.301 . . . . . . 496 LYS CO . 17512 1 343 . 1 1 34 34 LYS CA C 13 59.42 0.301 . . . . . . 496 LYS CA . 17512 1 344 . 1 1 34 34 LYS CB C 13 31.86 0.301 . . . . . . 496 LYS CB . 17512 1 345 . 1 1 34 34 LYS CG C 13 24.11 0.301 . . . . . . 496 LYS CG . 17512 1 346 . 1 1 34 34 LYS CD C 13 29.71 0.301 . . . . . . 496 LYS CD . 17512 1 347 . 1 1 34 34 LYS CE C 13 41.68 0.301 . . . . . . 496 LYS CE . 17512 1 348 . 1 1 34 34 LYS N N 15 126.69 0.301 . . . . . . 496 LYS N . 17512 1 349 . 1 1 35 35 ASP H H 1 8.56 0.021 . . . . . . 497 ASP H . 17512 1 350 . 1 1 35 35 ASP HA H 1 4.55 0.021 . . . . . . 497 ASP HA . 17512 1 351 . 1 1 35 35 ASP HB2 H 1 2.55 0.022 . . . . . . 497 ASP HB2 . 17512 1 352 . 1 1 35 35 ASP HB3 H 1 2.55 0.022 . . . . . . 497 ASP HB3 . 17512 1 353 . 1 1 35 35 ASP C C 13 171.34 0.301 . . . . . . 497 ASP CO . 17512 1 354 . 1 1 35 35 ASP CA C 13 56.06 0.301 . . . . . . 497 ASP CA . 17512 1 355 . 1 1 35 35 ASP CB C 13 40.08 0.301 . . . . . . 497 ASP CB . 17512 1 356 . 1 1 35 35 ASP N N 15 117.83 0.301 . . . . . . 497 ASP N . 17512 1 357 . 1 1 36 36 ASN H H 1 8.27 0.021 . . . . . . 498 ASN H . 17512 1 358 . 1 1 36 36 ASN HA H 1 4.52 0.021 . . . . . . 498 ASN HA . 17512 1 359 . 1 1 36 36 ASN HB2 H 1 2.55 0.022 . . . . . . 498 ASN HB2 . 17512 1 360 . 1 1 36 36 ASN HB3 H 1 2.62 0.022 . . . . . . 498 ASN HB3 . 17512 1 361 . 1 1 36 36 ASN C C 13 173.08 0.301 . . . . . . 498 ASN CO . 17512 1 362 . 1 1 36 36 ASN CA C 13 53.23 0.301 . . . . . . 498 ASN CA . 17512 1 363 . 1 1 36 36 ASN CB C 13 38.19 0.301 . . . . . . 498 ASN CB . 17512 1 364 . 1 1 36 36 ASN N N 15 117.66 0.301 . . . . . . 498 ASN N . 17512 1 365 . 1 1 37 37 PHE H H 1 7.35 0.021 . . . . . . 499 PHE H . 17512 1 366 . 1 1 37 37 PHE HA H 1 3.81 0.021 . . . . . . 499 PHE HA . 17512 1 367 . 1 1 37 37 PHE HB2 H 1 2.33 0.022 . . . . . . 499 PHE HB2 . 17512 1 368 . 1 1 37 37 PHE HB3 H 1 2.70 0.022 . . . . . . 499 PHE HB3 . 17512 1 369 . 1 1 37 37 PHE HD1 H 1 7.27 0.023 . . . . . . 499 PHE HD1 . 17512 1 370 . 1 1 37 37 PHE HE1 H 1 6.84 0.023 . . . . . . 499 PHE HE1 . 17512 1 371 . 1 1 37 37 PHE HZ H 1 6.50 0.021 . . . . . . 499 PHE HZ . 17512 1 372 . 1 1 37 37 PHE CA C 13 60.18 0.301 . . . . . . 499 PHE CA . 17512 1 373 . 1 1 37 37 PHE CB C 13 39.59 0.301 . . . . . . 499 PHE CB . 17512 1 374 . 1 1 37 37 PHE CD1 C 13 132.51 0.303 . . . . . . 499 PHE CD1 . 17512 1 375 . 1 1 37 37 PHE CE1 C 13 132.51 0.303 . . . . . . 499 PHE CE1 . 17512 1 376 . 1 1 37 37 PHE CZ C 13 131.47 0.301 . . . . . . 499 PHE CZ . 17512 1 377 . 1 1 37 37 PHE N N 15 118.73 0.301 . . . . . . 499 PHE N . 17512 1 378 . 1 1 38 38 THR HA H 1 4.14 0.021 . . . . . . 500 THR HA . 17512 1 379 . 1 1 38 38 THR HB H 1 4.01 0.021 . . . . . . 500 THR HB . 17512 1 380 . 1 1 38 38 THR HG21 H 1 1.15 0.021 . . . . . . 500 THR HG2 . 17512 1 381 . 1 1 38 38 THR HG22 H 1 1.15 0.021 . . . . . . 500 THR HG2 . 17512 1 382 . 1 1 38 38 THR HG23 H 1 1.15 0.021 . . . . . . 500 THR HG2 . 17512 1 383 . 1 1 38 38 THR C C 13 172.90 0.301 . . . . . . 500 THR CO . 17512 1 384 . 1 1 38 38 THR CA C 13 63.53 0.301 . . . . . . 500 THR CA . 17512 1 385 . 1 1 38 38 THR CB C 13 69.75 0.301 . . . . . . 500 THR CB . 17512 1 386 . 1 1 38 38 THR CG2 C 13 22.55 0.301 . . . . . . 500 THR CG2 . 17512 1 387 . 1 1 39 39 ASN H H 1 9.35 0.021 . . . . . . 501 ASN H . 17512 1 388 . 1 1 39 39 ASN HA H 1 4.67 0.021 . . . . . . 501 ASN HA . 17512 1 389 . 1 1 39 39 ASN HB2 H 1 2.71 0.022 . . . . . . 501 ASN HB2 . 17512 1 390 . 1 1 39 39 ASN HB3 H 1 2.71 0.022 . . . . . . 501 ASN HB3 . 17512 1 391 . 1 1 39 39 ASN C C 13 173.12 0.301 . . . . . . 501 ASN CO . 17512 1 392 . 1 1 39 39 ASN CA C 13 53.22 0.301 . . . . . . 501 ASN CA . 17512 1 393 . 1 1 39 39 ASN CB C 13 40.05 0.301 . . . . . . 501 ASN CB . 17512 1 394 . 1 1 39 39 ASN N N 15 126.76 0.301 . . . . . . 501 ASN N . 17512 1 395 . 1 1 40 40 GLN H H 1 8.84 0.021 . . . . . . 502 GLN H . 17512 1 396 . 1 1 40 40 GLN HA H 1 3.68 0.021 . . . . . . 502 GLN HA . 17512 1 397 . 1 1 40 40 GLN HB2 H 1 1.78 0.022 . . . . . . 502 GLN HB2 . 17512 1 398 . 1 1 40 40 GLN HB3 H 1 1.78 0.022 . . . . . . 502 GLN HB3 . 17512 1 399 . 1 1 40 40 GLN HG2 H 1 2.06 0.022 . . . . . . 502 GLN HG2 . 17512 1 400 . 1 1 40 40 GLN HG3 H 1 2.01 0.022 . . . . . . 502 GLN HG3 . 17512 1 401 . 1 1 40 40 GLN C C 13 174.65 0.301 . . . . . . 502 GLN CO . 17512 1 402 . 1 1 40 40 GLN CA C 13 58.38 0.301 . . . . . . 502 GLN CA . 17512 1 403 . 1 1 40 40 GLN CB C 13 28.53 0.301 . . . . . . 502 GLN CB . 17512 1 404 . 1 1 40 40 GLN CG C 13 33.70 0.301 . . . . . . 502 GLN CG . 17512 1 405 . 1 1 40 40 GLN N N 15 126.52 0.301 . . . . . . 502 GLN N . 17512 1 406 . 1 1 41 41 HIS H H 1 7.71 0.021 . . . . . . 503 HIS H . 17512 1 407 . 1 1 41 41 HIS HA H 1 4.37 0.021 . . . . . . 503 HIS HA . 17512 1 408 . 1 1 41 41 HIS HB2 H 1 3.17 0.022 . . . . . . 503 HIS HB2 . 17512 1 409 . 1 1 41 41 HIS HB3 H 1 3.17 0.022 . . . . . . 503 HIS HB3 . 17512 1 410 . 1 1 41 41 HIS C C 13 175.84 0.301 . . . . . . 503 HIS CO . 17512 1 411 . 1 1 41 41 HIS CA C 13 59.23 0.301 . . . . . . 503 HIS CA . 17512 1 412 . 1 1 41 41 HIS CB C 13 30.49 0.301 . . . . . . 503 HIS CB . 17512 1 413 . 1 1 41 41 HIS N N 15 118.55 0.301 . . . . . . 503 HIS N . 17512 1 414 . 1 1 42 42 PHE H H 1 8.34 0.021 . . . . . . 504 PHE H . 17512 1 415 . 1 1 42 42 PHE HA H 1 4.42 0.021 . . . . . . 504 PHE HA . 17512 1 416 . 1 1 42 42 PHE HB2 H 1 3.24 0.022 . . . . . . 504 PHE HB2 . 17512 1 417 . 1 1 42 42 PHE HB3 H 1 3.61 0.022 . . . . . . 504 PHE HB3 . 17512 1 418 . 1 1 42 42 PHE HD1 H 1 7.30 0.023 . . . . . . 504 PHE HD1 . 17512 1 419 . 1 1 42 42 PHE C C 13 174.65 0.301 . . . . . . 504 PHE CO . 17512 1 420 . 1 1 42 42 PHE CA C 13 56.55 0.301 . . . . . . 504 PHE CA . 17512 1 421 . 1 1 42 42 PHE CB C 13 35.83 0.301 . . . . . . 504 PHE CB . 17512 1 422 . 1 1 42 42 PHE N N 15 119.54 0.301 . . . . . . 504 PHE N . 17512 1 423 . 1 1 43 43 LYS H H 1 8.27 0.021 . . . . . . 505 LYS H . 17512 1 424 . 1 1 43 43 LYS HA H 1 3.87 0.021 . . . . . . 505 LYS HA . 17512 1 425 . 1 1 43 43 LYS HB2 H 1 1.81 0.022 . . . . . . 505 LYS HB2 . 17512 1 426 . 1 1 43 43 LYS HB3 H 1 1.81 0.022 . . . . . . 505 LYS HB3 . 17512 1 427 . 1 1 43 43 LYS HD2 H 1 1.62 0.022 . . . . . . 505 LYS HD2 . 17512 1 428 . 1 1 43 43 LYS HD3 H 1 1.62 0.022 . . . . . . 505 LYS HD3 . 17512 1 429 . 1 1 43 43 LYS HE2 H 1 3.01 0.022 . . . . . . 505 LYS HE2 . 17512 1 430 . 1 1 43 43 LYS HE3 H 1 3.01 0.022 . . . . . . 505 LYS HE3 . 17512 1 431 . 1 1 43 43 LYS C C 13 176.20 0.301 . . . . . . 505 LYS CO . 17512 1 432 . 1 1 43 43 LYS CA C 13 60.16 0.301 . . . . . . 505 LYS CA . 17512 1 433 . 1 1 43 43 LYS CB C 13 32.72 0.301 . . . . . . 505 LYS CB . 17512 1 434 . 1 1 43 43 LYS CG C 13 24.36 0.301 . . . . . . 505 LYS CG . 17512 1 435 . 1 1 43 43 LYS CD C 13 30.37 0.301 . . . . . . 505 LYS CD . 17512 1 436 . 1 1 43 43 LYS CE C 13 41.79 0.301 . . . . . . 505 LYS CE . 17512 1 437 . 1 1 43 43 LYS N N 15 121.33 0.301 . . . . . . 505 LYS N . 17512 1 438 . 1 1 44 44 TYR H H 1 7.68 0.021 . . . . . . 506 TYR H . 17512 1 439 . 1 1 44 44 TYR HA H 1 4.49 0.021 . . . . . . 506 TYR HA . 17512 1 440 . 1 1 44 44 TYR HB2 H 1 2.58 0.022 . . . . . . 506 TYR HB2 . 17512 1 441 . 1 1 44 44 TYR HB3 H 1 3.19 0.022 . . . . . . 506 TYR HB3 . 17512 1 442 . 1 1 44 44 TYR HD1 H 1 7.11 0.023 . . . . . . 506 TYR HD1 . 17512 1 443 . 1 1 44 44 TYR HE1 H 1 6.78 0.023 . . . . . . 506 TYR HE1 . 17512 1 444 . 1 1 44 44 TYR C C 13 176.61 0.301 . . . . . . 506 TYR CO . 17512 1 445 . 1 1 44 44 TYR CA C 13 59.75 0.301 . . . . . . 506 TYR CA . 17512 1 446 . 1 1 44 44 TYR CB C 13 37.87 0.301 . . . . . . 506 TYR CB . 17512 1 447 . 1 1 44 44 TYR CD1 C 13 131.28 0.303 . . . . . . 506 TYR CD1 . 17512 1 448 . 1 1 44 44 TYR CE1 C 13 117.47 0.303 . . . . . . 506 TYR CE1 . 17512 1 449 . 1 1 44 44 TYR N N 15 117.05 0.301 . . . . . . 506 TYR N . 17512 1 450 . 1 1 45 45 VAL H H 1 8.33 0.021 . . . . . . 507 VAL H . 17512 1 451 . 1 1 45 45 VAL HA H 1 3.87 0.021 . . . . . . 507 VAL HA . 17512 1 452 . 1 1 45 45 VAL C C 13 171.39 0.301 . . . . . . 507 VAL CO . 17512 1 453 . 1 1 45 45 VAL CA C 13 67.13 0.301 . . . . . . 507 VAL CA . 17512 1 454 . 1 1 45 45 VAL CB C 13 29.61 0.301 . . . . . . 507 VAL CB . 17512 1 455 . 1 1 45 45 VAL CG1 C 13 24.12 0.302 . . . . . . 507 VAL CG1 . 17512 1 456 . 1 1 45 45 VAL CG2 C 13 22.71 0.302 . . . . . . 507 VAL CG2 . 17512 1 457 . 1 1 45 45 VAL N N 15 120.10 0.301 . . . . . . 507 VAL N . 17512 1 458 . 1 1 46 46 PHE H H 1 8.31 0.021 . . . . . . 508 PHE H . 17512 1 459 . 1 1 46 46 PHE HA H 1 4.11 0.021 . . . . . . 508 PHE HA . 17512 1 460 . 1 1 46 46 PHE HB2 H 1 2.02 0.022 . . . . . . 508 PHE HB2 . 17512 1 461 . 1 1 46 46 PHE HB3 H 1 3.20 0.022 . . . . . . 508 PHE HB3 . 17512 1 462 . 1 1 46 46 PHE HD1 H 1 6.39 0.023 . . . . . . 508 PHE HD1 . 17512 1 463 . 1 1 46 46 PHE C C 13 175.35 0.301 . . . . . . 508 PHE CO . 17512 1 464 . 1 1 46 46 PHE CA C 13 61.62 0.301 . . . . . . 508 PHE CA . 17512 1 465 . 1 1 46 46 PHE CB C 13 39.02 0.301 . . . . . . 508 PHE CB . 17512 1 466 . 1 1 46 46 PHE N N 15 120.32 0.301 . . . . . . 508 PHE N . 17512 1 467 . 1 1 47 47 GLU H H 1 7.90 0.021 . . . . . . 509 GLU H . 17512 1 468 . 1 1 47 47 GLU HA H 1 3.84 0.021 . . . . . . 509 GLU HA . 17512 1 469 . 1 1 47 47 GLU HB2 H 1 2.05 0.022 . . . . . . 509 GLU HB2 . 17512 1 470 . 1 1 47 47 GLU HB3 H 1 2.08 0.022 . . . . . . 509 GLU HB3 . 17512 1 471 . 1 1 47 47 GLU HG2 H 1 2.29 0.022 . . . . . . 509 GLU HG2 . 17512 1 472 . 1 1 47 47 GLU HG3 H 1 2.29 0.022 . . . . . . 509 GLU HG3 . 17512 1 473 . 1 1 47 47 GLU C C 13 177.00 0.301 . . . . . . 509 GLU CO . 17512 1 474 . 1 1 47 47 GLU CA C 13 60.33 0.301 . . . . . . 509 GLU CA . 17512 1 475 . 1 1 47 47 GLU CB C 13 30.23 0.301 . . . . . . 509 GLU CB . 17512 1 476 . 1 1 47 47 GLU CG C 13 37.20 0.301 . . . . . . 509 GLU CG . 17512 1 477 . 1 1 47 47 GLU N N 15 117.75 0.301 . . . . . . 509 GLU N . 17512 1 478 . 1 1 48 48 VAL H H 1 8.47 0.021 . . . . . . 510 VAL H . 17512 1 479 . 1 1 48 48 VAL HA H 1 3.87 0.021 . . . . . . 510 VAL HA . 17512 1 480 . 1 1 48 48 VAL HB H 1 2.22 0.021 . . . . . . 510 VAL HB . 17512 1 481 . 1 1 48 48 VAL HG11 H 1 0.80 0.022 . . . . . . 510 VAL HG1# . 17512 1 482 . 1 1 48 48 VAL HG12 H 1 0.80 0.022 . . . . . . 510 VAL HG1# . 17512 1 483 . 1 1 48 48 VAL HG13 H 1 0.80 0.022 . . . . . . 510 VAL HG1# . 17512 1 484 . 1 1 48 48 VAL HG21 H 1 1.00 0.022 . . . . . . 510 VAL HG2# . 17512 1 485 . 1 1 48 48 VAL HG22 H 1 1.00 0.022 . . . . . . 510 VAL HG2# . 17512 1 486 . 1 1 48 48 VAL HG23 H 1 1.00 0.022 . . . . . . 510 VAL HG2# . 17512 1 487 . 1 1 48 48 VAL C C 13 175.40 0.301 . . . . . . 510 VAL CO . 17512 1 488 . 1 1 48 48 VAL CA C 13 65.64 0.301 . . . . . . 510 VAL CA . 17512 1 489 . 1 1 48 48 VAL CB C 13 31.36 0.301 . . . . . . 510 VAL CB . 17512 1 490 . 1 1 48 48 VAL CG1 C 13 20.67 0.302 . . . . . . 510 VAL CG1 . 17512 1 491 . 1 1 48 48 VAL CG2 C 13 23.87 0.302 . . . . . . 510 VAL CG2 . 17512 1 492 . 1 1 48 48 VAL N N 15 121.30 0.301 . . . . . . 510 VAL N . 17512 1 493 . 1 1 49 49 LEU H H 1 8.39 0.021 . . . . . . 511 LEU H . 17512 1 494 . 1 1 49 49 LEU HA H 1 3.95 0.021 . . . . . . 511 LEU HA . 17512 1 495 . 1 1 49 49 LEU HB2 H 1 1.89 0.022 . . . . . . 511 LEU HB2 . 17512 1 496 . 1 1 49 49 LEU HB3 H 1 1.89 0.022 . . . . . . 511 LEU HB3 . 17512 1 497 . 1 1 49 49 LEU HG H 1 1.93 0.021 . . . . . . 511 LEU HG . 17512 1 498 . 1 1 49 49 LEU HD11 H 1 0.96 0.022 . . . . . . 511 LEU HD1# . 17512 1 499 . 1 1 49 49 LEU HD12 H 1 0.96 0.022 . . . . . . 511 LEU HD1# . 17512 1 500 . 1 1 49 49 LEU HD13 H 1 0.96 0.022 . . . . . . 511 LEU HD1# . 17512 1 501 . 1 1 49 49 LEU HD21 H 1 0.96 0.022 . . . . . . 511 LEU HD2# . 17512 1 502 . 1 1 49 49 LEU HD22 H 1 0.96 0.022 . . . . . . 511 LEU HD2# . 17512 1 503 . 1 1 49 49 LEU HD23 H 1 0.96 0.022 . . . . . . 511 LEU HD2# . 17512 1 504 . 1 1 49 49 LEU C C 13 175.33 0.301 . . . . . . 511 LEU CO . 17512 1 505 . 1 1 49 49 LEU CA C 13 57.83 0.301 . . . . . . 511 LEU CA . 17512 1 506 . 1 1 49 49 LEU CB C 13 41.80 0.301 . . . . . . 511 LEU CB . 17512 1 507 . 1 1 49 49 LEU CG C 13 26.38 0.301 . . . . . . 511 LEU CG . 17512 1 508 . 1 1 49 49 LEU CD1 C 13 24.32 0.302 . . . . . . 511 LEU CD1 . 17512 1 509 . 1 1 49 49 LEU CD2 C 13 24.32 0.302 . . . . . . 511 LEU CD2 . 17512 1 510 . 1 1 49 49 LEU N N 15 119.32 0.301 . . . . . . 511 LEU N . 17512 1 511 . 1 1 50 50 HIS H H 1 7.39 0.021 . . . . . . 512 HIS H . 17512 1 512 . 1 1 50 50 HIS HA H 1 3.96 0.021 . . . . . . 512 HIS HA . 17512 1 513 . 1 1 50 50 HIS HB2 H 1 3.19 0.022 . . . . . . 512 HIS HB2 . 17512 1 514 . 1 1 50 50 HIS HB3 H 1 3.29 0.022 . . . . . . 512 HIS HB3 . 17512 1 515 . 1 1 50 50 HIS HD2 H 1 6.83 0.021 . . . . . . 512 HIS HD2 . 17512 1 516 . 1 1 50 50 HIS C C 13 174.50 0.301 . . . . . . 512 HIS CO . 17512 1 517 . 1 1 50 50 HIS CA C 13 60.20 0.301 . . . . . . 512 HIS CA . 17512 1 518 . 1 1 50 50 HIS CB C 13 28.51 0.301 . . . . . . 512 HIS CB . 17512 1 519 . 1 1 50 50 HIS N N 15 115.27 0.301 . . . . . . 512 HIS N . 17512 1 520 . 1 1 51 51 ASP H H 1 7.17 0.021 . . . . . . 513 ASP H . 17512 1 521 . 1 1 51 51 ASP HA H 1 4.27 0.021 . . . . . . 513 ASP HA . 17512 1 522 . 1 1 51 51 ASP HB2 H 1 2.76 0.022 . . . . . . 513 ASP HB2 . 17512 1 523 . 1 1 51 51 ASP HB3 H 1 2.76 0.022 . . . . . . 513 ASP HB3 . 17512 1 524 . 1 1 51 51 ASP C C 13 175.15 0.301 . . . . . . 513 ASP CO . 17512 1 525 . 1 1 51 51 ASP CA C 13 57.03 0.301 . . . . . . 513 ASP CA . 17512 1 526 . 1 1 51 51 ASP CB C 13 40.38 0.301 . . . . . . 513 ASP CB . 17512 1 527 . 1 1 51 51 ASP N N 15 119.82 0.301 . . . . . . 513 ASP N . 17512 1 528 . 1 1 52 52 PHE H H 1 8.81 0.021 . . . . . . 514 PHE H . 17512 1 529 . 1 1 52 52 PHE HA H 1 4.03 0.021 . . . . . . 514 PHE HA . 17512 1 530 . 1 1 52 52 PHE HB2 H 1 2.96 0.022 . . . . . . 514 PHE HB2 . 17512 1 531 . 1 1 52 52 PHE HB3 H 1 2.96 0.022 . . . . . . 514 PHE HB3 . 17512 1 532 . 1 1 52 52 PHE HD1 H 1 6.95 0.023 . . . . . . 514 PHE HD1 . 17512 1 533 . 1 1 52 52 PHE C C 13 176.39 0.301 . . . . . . 514 PHE CO . 17512 1 534 . 1 1 52 52 PHE CA C 13 61.93 0.301 . . . . . . 514 PHE CA . 17512 1 535 . 1 1 52 52 PHE CB C 13 39.69 0.301 . . . . . . 514 PHE CB . 17512 1 536 . 1 1 52 52 PHE N N 15 119.80 0.301 . . . . . . 514 PHE N . 17512 1 537 . 1 1 53 53 TYR H H 1 8.37 0.021 . . . . . . 515 TYR H . 17512 1 538 . 1 1 53 53 TYR HA H 1 4.73 0.021 . . . . . . 515 TYR HA . 17512 1 539 . 1 1 53 53 TYR HB2 H 1 2.25 0.022 . . . . . . 515 TYR HB2 . 17512 1 540 . 1 1 53 53 TYR HB3 H 1 2.25 0.022 . . . . . . 515 TYR HB3 . 17512 1 541 . 1 1 53 53 TYR HD1 H 1 6.33 0.023 . . . . . . 515 TYR HD1 . 17512 1 542 . 1 1 53 53 TYR C C 13 173.86 0.301 . . . . . . 515 TYR CO . 17512 1 543 . 1 1 53 53 TYR CA C 13 59.24 0.301 . . . . . . 515 TYR CA . 17512 1 544 . 1 1 53 53 TYR CB C 13 37.28 0.301 . . . . . . 515 TYR CB . 17512 1 545 . 1 1 53 53 TYR N N 15 117.94 0.301 . . . . . . 515 TYR N . 17512 1 546 . 1 1 54 54 ALA H H 1 7.11 0.021 . . . . . . 516 ALA H . 17512 1 547 . 1 1 54 54 ALA HA H 1 4.07 0.021 . . . . . . 516 ALA HA . 17512 1 548 . 1 1 54 54 ALA HB1 H 1 1.43 0.021 . . . . . . 516 ALA HB# . 17512 1 549 . 1 1 54 54 ALA HB2 H 1 1.43 0.021 . . . . . . 516 ALA HB# . 17512 1 550 . 1 1 54 54 ALA HB3 H 1 1.43 0.021 . . . . . . 516 ALA HB# . 17512 1 551 . 1 1 54 54 ALA C C 13 176.62 0.301 . . . . . . 516 ALA CO . 17512 1 552 . 1 1 54 54 ALA CA C 13 54.50 0.301 . . . . . . 516 ALA CA . 17512 1 553 . 1 1 54 54 ALA CB C 13 18.21 0.301 . . . . . . 516 ALA CB . 17512 1 554 . 1 1 54 54 ALA N N 15 120.49 0.301 . . . . . . 516 ALA N . 17512 1 555 . 1 1 55 55 GLU H H 1 6.78 0.021 . . . . . . 517 GLU H . 17512 1 556 . 1 1 55 55 GLU HA H 1 4.40 0.021 . . . . . . 517 GLU HA . 17512 1 557 . 1 1 55 55 GLU HB2 H 1 1.66 0.022 . . . . . . 517 GLU HB2 . 17512 1 558 . 1 1 55 55 GLU HB3 H 1 1.69 0.022 . . . . . . 517 GLU HB3 . 17512 1 559 . 1 1 55 55 GLU HG2 H 1 2.03 0.022 . . . . . . 517 GLU HG2 . 17512 1 560 . 1 1 55 55 GLU HG3 H 1 2.03 0.022 . . . . . . 517 GLU HG3 . 17512 1 561 . 1 1 55 55 GLU C C 13 171.66 0.301 . . . . . . 517 GLU CO . 17512 1 562 . 1 1 55 55 GLU CA C 13 55.25 0.301 . . . . . . 517 GLU CA . 17512 1 563 . 1 1 55 55 GLU CB C 13 32.30 0.301 . . . . . . 517 GLU CB . 17512 1 564 . 1 1 55 55 GLU CG C 13 35.89 0.301 . . . . . . 517 GLU CG . 17512 1 565 . 1 1 55 55 GLU N N 15 111.79 0.301 . . . . . . 517 GLU N . 17512 1 566 . 1 1 56 56 ASN H H 1 7.22 0.021 . . . . . . 518 ASN H . 17512 1 567 . 1 1 56 56 ASN HA H 1 4.39 0.021 . . . . . . 518 ASN HA . 17512 1 568 . 1 1 56 56 ASN HB2 H 1 2.99 0.022 . . . . . . 518 ASN HB2 . 17512 1 569 . 1 1 56 56 ASN HB3 H 1 2.99 0.022 . . . . . . 518 ASN HB3 . 17512 1 570 . 1 1 56 56 ASN C C 13 176.12 0.301 . . . . . . 518 ASN CO . 17512 1 571 . 1 1 56 56 ASN CA C 13 52.48 0.301 . . . . . . 518 ASN CA . 17512 1 572 . 1 1 56 56 ASN CB C 13 43.30 0.301 . . . . . . 518 ASN CB . 17512 1 573 . 1 1 56 56 ASN N N 15 117.18 0.301 . . . . . . 518 ASN N . 17512 1 574 . 1 1 57 57 ASP H H 1 8.48 0.021 . . . . . . 519 ASP H . 17512 1 575 . 1 1 57 57 ASP HA H 1 4.06 0.021 . . . . . . 519 ASP HA . 17512 1 576 . 1 1 57 57 ASP HB2 H 1 2.71 0.022 . . . . . . 519 ASP HB2 . 17512 1 577 . 1 1 57 57 ASP HB3 H 1 2.71 0.022 . . . . . . 519 ASP HB3 . 17512 1 578 . 1 1 57 57 ASP C C 13 172.78 0.301 . . . . . . 519 ASP CO . 17512 1 579 . 1 1 57 57 ASP CA C 13 55.62 0.301 . . . . . . 519 ASP CA . 17512 1 580 . 1 1 57 57 ASP CB C 13 42.34 0.301 . . . . . . 519 ASP CB . 17512 1 581 . 1 1 57 57 ASP N N 15 118.05 0.301 . . . . . . 519 ASP N . 17512 1 582 . 1 1 58 58 GLN H H 1 7.78 0.021 . . . . . . 520 GLN H . 17512 1 583 . 1 1 58 58 GLN HA H 1 4.76 0.021 . . . . . . 520 GLN HA . 17512 1 584 . 1 1 58 58 GLN HB2 H 1 1.93 0.022 . . . . . . 520 GLN HB2 . 17512 1 585 . 1 1 58 58 GLN HB3 H 1 2.01 0.022 . . . . . . 520 GLN HB3 . 17512 1 586 . 1 1 58 58 GLN HG2 H 1 2.30 0.022 . . . . . . 520 GLN HG2 . 17512 1 587 . 1 1 58 58 GLN HG3 H 1 2.30 0.022 . . . . . . 520 GLN HG3 . 17512 1 588 . 1 1 58 58 GLN C C 13 171.92 0.301 . . . . . . 520 GLN CO . 17512 1 589 . 1 1 58 58 GLN CA C 13 54.61 0.301 . . . . . . 520 GLN CA . 17512 1 590 . 1 1 58 58 GLN CB C 13 31.46 0.301 . . . . . . 520 GLN CB . 17512 1 591 . 1 1 58 58 GLN CG C 13 33.43 0.301 . . . . . . 520 GLN CG . 17512 1 592 . 1 1 58 58 GLN N N 15 116.73 0.301 . . . . . . 520 GLN N . 17512 1 593 . 1 1 59 59 TYR H H 1 9.73 0.021 . . . . . . 521 TYR H . 17512 1 594 . 1 1 59 59 TYR HA H 1 3.87 0.021 . . . . . . 521 TYR HA . 17512 1 595 . 1 1 59 59 TYR HB2 H 1 2.44 0.022 . . . . . . 521 TYR HB2 . 17512 1 596 . 1 1 59 59 TYR HB3 H 1 3.08 0.022 . . . . . . 521 TYR HB3 . 17512 1 597 . 1 1 59 59 TYR HD1 H 1 6.07 0.023 . . . . . . 521 TYR HD1 . 17512 1 598 . 1 1 59 59 TYR HE1 H 1 6.66 0.023 . . . . . . 521 TYR HE1 . 17512 1 599 . 1 1 59 59 TYR C C 13 172.36 0.301 . . . . . . 521 TYR CO . 17512 1 600 . 1 1 59 59 TYR CA C 13 60.74 0.301 . . . . . . 521 TYR CA . 17512 1 601 . 1 1 59 59 TYR CB C 13 38.15 0.301 . . . . . . 521 TYR CB . 17512 1 602 . 1 1 59 59 TYR CD1 C 13 130.78 0.303 . . . . . . 521 TYR CD1 . 17512 1 603 . 1 1 59 59 TYR CE1 C 13 117.20 0.303 . . . . . . 521 TYR CE1 . 17512 1 604 . 1 1 59 59 TYR N N 15 126.67 0.301 . . . . . . 521 TYR N . 17512 1 605 . 1 1 60 60 ASN H H 1 5.53 0.021 . . . . . . 522 ASN H . 17512 1 606 . 1 1 60 60 ASN HA H 1 4.37 0.021 . . . . . . 522 ASN HA . 17512 1 607 . 1 1 60 60 ASN HB2 H 1 2.53 0.022 . . . . . . 522 ASN HB2 . 17512 1 608 . 1 1 60 60 ASN HB3 H 1 2.68 0.022 . . . . . . 522 ASN HB3 . 17512 1 609 . 1 1 60 60 ASN C C 13 171.99 0.301 . . . . . . 522 ASN CO . 17512 1 610 . 1 1 60 60 ASN CA C 13 52.72 0.301 . . . . . . 522 ASN CA . 17512 1 611 . 1 1 60 60 ASN CB C 13 41.92 0.301 . . . . . . 522 ASN CB . 17512 1 612 . 1 1 60 60 ASN N N 15 122.62 0.301 . . . . . . 522 ASN N . 17512 1 613 . 1 1 61 61 ILE H H 1 9.01 0.021 . . . . . . 523 ILE H . 17512 1 614 . 1 1 61 61 ILE HA H 1 3.75 0.021 . . . . . . 523 ILE HA . 17512 1 615 . 1 1 61 61 ILE HB H 1 1.72 0.021 . . . . . . 523 ILE HB . 17512 1 616 . 1 1 61 61 ILE HG12 H 1 1.19 0.022 . . . . . . 523 ILE HG12 . 17512 1 617 . 1 1 61 61 ILE HG13 H 1 1.13 0.022 . . . . . . 523 ILE HG13 . 17512 1 618 . 1 1 61 61 ILE HG21 H 1 0.82 0.021 . . . . . . 523 ILE HG2# . 17512 1 619 . 1 1 61 61 ILE HG22 H 1 0.82 0.021 . . . . . . 523 ILE HG2# . 17512 1 620 . 1 1 61 61 ILE HG23 H 1 0.82 0.021 . . . . . . 523 ILE HG2# . 17512 1 621 . 1 1 61 61 ILE HD11 H 1 0.69 0.021 . . . . . . 523 ILE HD1# . 17512 1 622 . 1 1 61 61 ILE HD12 H 1 0.69 0.021 . . . . . . 523 ILE HD1# . 17512 1 623 . 1 1 61 61 ILE HD13 H 1 0.69 0.021 . . . . . . 523 ILE HD1# . 17512 1 624 . 1 1 61 61 ILE C C 13 172.00 0.301 . . . . . . 523 ILE CO . 17512 1 625 . 1 1 61 61 ILE CA C 13 62.52 0.301 . . . . . . 523 ILE CA . 17512 1 626 . 1 1 61 61 ILE CB C 13 37.44 0.301 . . . . . . 523 ILE CB . 17512 1 627 . 1 1 61 61 ILE CG1 C 13 29.36 0.301 . . . . . . 523 ILE CG1 . 17512 1 628 . 1 1 61 61 ILE CG2 C 13 17.39 0.301 . . . . . . 523 ILE CG2 . 17512 1 629 . 1 1 61 61 ILE CD1 C 13 14.91 0.301 . . . . . . 523 ILE CD1 . 17512 1 630 . 1 1 61 61 ILE N N 15 125.43 0.301 . . . . . . 523 ILE N . 17512 1 631 . 1 1 62 62 SER H H 1 7.77 0.021 . . . . . . 524 SER H . 17512 1 632 . 1 1 62 62 SER HA H 1 3.95 0.021 . . . . . . 524 SER HA . 17512 1 633 . 1 1 62 62 SER HB2 H 1 3.74 0.022 . . . . . . 524 SER HB2 . 17512 1 634 . 1 1 62 62 SER HB3 H 1 3.74 0.022 . . . . . . 524 SER HB3 . 17512 1 635 . 1 1 62 62 SER C C 13 173.73 0.301 . . . . . . 524 SER CO . 17512 1 636 . 1 1 62 62 SER CA C 13 61.74 0.301 . . . . . . 524 SER CA . 17512 1 637 . 1 1 62 62 SER CB C 13 62.42 0.301 . . . . . . 524 SER CB . 17512 1 638 . 1 1 62 62 SER N N 15 117.21 0.301 . . . . . . 524 SER N . 17512 1 639 . 1 1 63 63 ASP H H 1 7.59 0.021 . . . . . . 525 ASP H . 17512 1 640 . 1 1 63 63 ASP HA H 1 4.64 0.021 . . . . . . 525 ASP HA . 17512 1 641 . 1 1 63 63 ASP HB2 H 1 2.58 0.022 . . . . . . 525 ASP HB2 . 17512 1 642 . 1 1 63 63 ASP HB3 H 1 2.73 0.022 . . . . . . 525 ASP HB3 . 17512 1 643 . 1 1 63 63 ASP C C 13 175.70 0.301 . . . . . . 525 ASP CO . 17512 1 644 . 1 1 63 63 ASP CA C 13 56.22 0.301 . . . . . . 525 ASP CA . 17512 1 645 . 1 1 63 63 ASP CB C 13 41.73 0.301 . . . . . . 525 ASP CB . 17512 1 646 . 1 1 63 63 ASP N N 15 118.59 0.301 . . . . . . 525 ASP N . 17512 1 647 . 1 1 64 64 ALA H H 1 7.88 0.021 . . . . . . 526 ALA H . 17512 1 648 . 1 1 64 64 ALA HA H 1 3.94 0.021 . . . . . . 526 ALA HA . 17512 1 649 . 1 1 64 64 ALA HB1 H 1 0.76 0.021 . . . . . . 526 ALA HB# . 17512 1 650 . 1 1 64 64 ALA HB2 H 1 0.76 0.021 . . . . . . 526 ALA HB# . 17512 1 651 . 1 1 64 64 ALA HB3 H 1 0.76 0.021 . . . . . . 526 ALA HB# . 17512 1 652 . 1 1 64 64 ALA C C 13 176.98 0.301 . . . . . . 526 ALA CO . 17512 1 653 . 1 1 64 64 ALA CA C 13 55.41 0.301 . . . . . . 526 ALA CA . 17512 1 654 . 1 1 64 64 ALA CB C 13 19.27 0.301 . . . . . . 526 ALA CB . 17512 1 655 . 1 1 64 64 ALA N N 15 122.76 0.301 . . . . . . 526 ALA N . 17512 1 656 . 1 1 65 65 VAL H H 1 7.89 0.021 . . . . . . 527 VAL H . 17512 1 657 . 1 1 65 65 VAL HA H 1 3.75 0.021 . . . . . . 527 VAL HA . 17512 1 658 . 1 1 65 65 VAL HB H 1 2.12 0.021 . . . . . . 527 VAL HB . 17512 1 659 . 1 1 65 65 VAL HG11 H 1 0.93 0.022 . . . . . . 527 VAL HG1# . 17512 1 660 . 1 1 65 65 VAL HG12 H 1 0.93 0.022 . . . . . . 527 VAL HG1# . 17512 1 661 . 1 1 65 65 VAL HG13 H 1 0.93 0.022 . . . . . . 527 VAL HG1# . 17512 1 662 . 1 1 65 65 VAL HG21 H 1 0.93 0.022 . . . . . . 527 VAL HG2# . 17512 1 663 . 1 1 65 65 VAL HG22 H 1 0.93 0.022 . . . . . . 527 VAL HG2# . 17512 1 664 . 1 1 65 65 VAL HG23 H 1 0.93 0.022 . . . . . . 527 VAL HG2# . 17512 1 665 . 1 1 65 65 VAL C C 13 174.56 0.301 . . . . . . 527 VAL CO . 17512 1 666 . 1 1 65 65 VAL CA C 13 65.30 0.301 . . . . . . 527 VAL CA . 17512 1 667 . 1 1 65 65 VAL CB C 13 31.50 0.301 . . . . . . 527 VAL CB . 17512 1 668 . 1 1 65 65 VAL CG1 C 13 21.41 0.302 . . . . . . 527 VAL CG1 . 17512 1 669 . 1 1 65 65 VAL CG2 C 13 20.35 0.302 . . . . . . 527 VAL CG2 . 17512 1 670 . 1 1 65 65 VAL N N 15 110.77 0.301 . . . . . . 527 VAL N . 17512 1 671 . 1 1 66 66 GLN H H 1 7.26 0.021 . . . . . . 528 GLN H . 17512 1 672 . 1 1 66 66 GLN HA H 1 4.15 0.021 . . . . . . 528 GLN HA . 17512 1 673 . 1 1 66 66 GLN HB2 H 1 1.93 0.022 . . . . . . 528 GLN HB2 . 17512 1 674 . 1 1 66 66 GLN HB3 H 1 1.99 0.022 . . . . . . 528 GLN HB3 . 17512 1 675 . 1 1 66 66 GLN HG2 H 1 2.25 0.022 . . . . . . 528 GLN HG2 . 17512 1 676 . 1 1 66 66 GLN HG3 H 1 2.25 0.022 . . . . . . 528 GLN HG3 . 17512 1 677 . 1 1 66 66 GLN C C 13 173.89 0.301 . . . . . . 528 GLN CO . 17512 1 678 . 1 1 66 66 GLN CA C 13 57.13 0.301 . . . . . . 528 GLN CA . 17512 1 679 . 1 1 66 66 GLN CB C 13 28.48 0.301 . . . . . . 528 GLN CB . 17512 1 680 . 1 1 66 66 GLN CG C 13 33.89 0.301 . . . . . . 528 GLN CG . 17512 1 681 . 1 1 66 66 GLN N N 15 116.52 0.301 . . . . . . 528 GLN N . 17512 1 682 . 1 1 67 67 TYR H H 1 7.96 0.021 . . . . . . 529 TYR H . 17512 1 683 . 1 1 67 67 TYR HA H 1 4.19 0.021 . . . . . . 529 TYR HA . 17512 1 684 . 1 1 67 67 TYR HB2 H 1 3.16 0.022 . . . . . . 529 TYR HB2 . 17512 1 685 . 1 1 67 67 TYR HB3 H 1 3.24 0.022 . . . . . . 529 TYR HB3 . 17512 1 686 . 1 1 67 67 TYR HD1 H 1 6.91 0.023 . . . . . . 529 TYR HD1 . 17512 1 687 . 1 1 67 67 TYR HE1 H 1 6.61 0.023 . . . . . . 529 TYR HE1 . 17512 1 688 . 1 1 67 67 TYR C C 13 172.77 0.301 . . . . . . 529 TYR CO . 17512 1 689 . 1 1 67 67 TYR CA C 13 59.55 0.301 . . . . . . 529 TYR CA . 17512 1 690 . 1 1 67 67 TYR CB C 13 39.08 0.301 . . . . . . 529 TYR CB . 17512 1 691 . 1 1 67 67 TYR CD1 C 13 133.08 0.303 . . . . . . 529 TYR CD1 . 17512 1 692 . 1 1 67 67 TYR CE1 C 13 117.40 0.303 . . . . . . 529 TYR CE1 . 17512 1 693 . 1 1 67 67 TYR N N 15 117.19 0.301 . . . . . . 529 TYR N . 17512 1 694 . 1 1 68 68 VAL H H 1 7.22 0.021 . . . . . . 530 VAL H . 17512 1 695 . 1 1 68 68 VAL HA H 1 4.44 0.021 . . . . . . 530 VAL HA . 17512 1 696 . 1 1 68 68 VAL HB H 1 2.14 0.021 . . . . . . 530 VAL HB . 17512 1 697 . 1 1 68 68 VAL HG11 H 1 0.87 0.022 . . . . . . 530 VAL HG1# . 17512 1 698 . 1 1 68 68 VAL HG12 H 1 0.87 0.022 . . . . . . 530 VAL HG1# . 17512 1 699 . 1 1 68 68 VAL HG13 H 1 0.87 0.022 . . . . . . 530 VAL HG1# . 17512 1 700 . 1 1 68 68 VAL HG21 H 1 0.92 0.022 . . . . . . 530 VAL HG2# . 17512 1 701 . 1 1 68 68 VAL HG22 H 1 0.92 0.022 . . . . . . 530 VAL HG2# . 17512 1 702 . 1 1 68 68 VAL HG23 H 1 0.92 0.022 . . . . . . 530 VAL HG2# . 17512 1 703 . 1 1 68 68 VAL CA C 13 60.31 0.301 . . . . . . 530 VAL CA . 17512 1 704 . 1 1 68 68 VAL CB C 13 33.66 0.301 . . . . . . 530 VAL CB . 17512 1 705 . 1 1 68 68 VAL CG1 C 13 19.71 0.302 . . . . . . 530 VAL CG1 . 17512 1 706 . 1 1 68 68 VAL CG2 C 13 22.69 0.302 . . . . . . 530 VAL CG2 . 17512 1 707 . 1 1 68 68 VAL N N 15 112.14 0.301 . . . . . . 530 VAL N . 17512 1 708 . 1 1 69 69 ASN H H 1 6.71 0.021 . . . . . . 531 ASN H . 17512 1 709 . 1 1 69 69 ASN HA H 1 4.84 0.021 . . . . . . 531 ASN HA . 17512 1 710 . 1 1 69 69 ASN HB2 H 1 2.79 0.022 . . . . . . 531 ASN HB2 . 17512 1 711 . 1 1 69 69 ASN HB3 H 1 2.97 0.022 . . . . . . 531 ASN HB3 . 17512 1 712 . 1 1 69 69 ASN C C 13 172.19 0.301 . . . . . . 531 ASN CO . 17512 1 713 . 1 1 69 69 ASN CA C 13 53.05 0.301 . . . . . . 531 ASN CA . 17512 1 714 . 1 1 69 69 ASN CB C 13 41.30 0.301 . . . . . . 531 ASN CB . 17512 1 715 . 1 1 69 69 ASN N N 15 113.23 0.301 . . . . . . 531 ASN N . 17512 1 716 . 1 1 70 70 SER H H 1 7.18 0.021 . . . . . . 532 SER H . 17512 1 717 . 1 1 70 70 SER HA H 1 4.71 0.021 . . . . . . 532 SER HA . 17512 1 718 . 1 1 70 70 SER HB2 H 1 3.66 0.022 . . . . . . 532 SER HB2 . 17512 1 719 . 1 1 70 70 SER HB3 H 1 4.09 0.022 . . . . . . 532 SER HB3 . 17512 1 720 . 1 1 70 70 SER CA C 13 56.22 0.301 . . . . . . 532 SER CA . 17512 1 721 . 1 1 70 70 SER CB C 13 65.82 0.301 . . . . . . 532 SER CB . 17512 1 722 . 1 1 70 70 SER N N 15 111.83 0.301 . . . . . . 532 SER N . 17512 1 723 . 1 1 71 71 ASN H H 1 8.37 0.021 . . . . . . 533 ASN H . 17512 1 724 . 1 1 71 71 ASN HA H 1 4.28 0.021 . . . . . . 533 ASN HA . 17512 1 725 . 1 1 71 71 ASN HB2 H 1 2.70 0.022 . . . . . . 533 ASN HB2 . 17512 1 726 . 1 1 71 71 ASN HB3 H 1 2.70 0.022 . . . . . . 533 ASN HB3 . 17512 1 727 . 1 1 71 71 ASN C C 13 174.53 0.301 . . . . . . 533 ASN CO . 17512 1 728 . 1 1 71 71 ASN CA C 13 56.55 0.301 . . . . . . 533 ASN CA . 17512 1 729 . 1 1 71 71 ASN CB C 13 38.06 0.301 . . . . . . 533 ASN CB . 17512 1 730 . 1 1 71 71 ASN N N 15 118.24 0.301 . . . . . . 533 ASN N . 17512 1 731 . 1 1 72 72 GLU H H 1 8.89 0.021 . . . . . . 534 GLU H . 17512 1 732 . 1 1 72 72 GLU HA H 1 3.97 0.021 . . . . . . 534 GLU HA . 17512 1 733 . 1 1 72 72 GLU HB2 H 1 2.08 0.022 . . . . . . 534 GLU HB2 . 17512 1 734 . 1 1 72 72 GLU HB3 H 1 2.08 0.022 . . . . . . 534 GLU HB3 . 17512 1 735 . 1 1 72 72 GLU HG2 H 1 2.56 0.022 . . . . . . 534 GLU HG2 . 17512 1 736 . 1 1 72 72 GLU HG3 H 1 2.56 0.022 . . . . . . 534 GLU HG3 . 17512 1 737 . 1 1 72 72 GLU C C 13 176.62 0.301 . . . . . . 534 GLU CO . 17512 1 738 . 1 1 72 72 GLU CA C 13 60.01 0.301 . . . . . . 534 GLU CA . 17512 1 739 . 1 1 72 72 GLU CB C 13 28.89 0.301 . . . . . . 534 GLU CB . 17512 1 740 . 1 1 72 72 GLU CG C 13 36.96 0.301 . . . . . . 534 GLU CG . 17512 1 741 . 1 1 72 72 GLU N N 15 119.37 0.301 . . . . . . 534 GLU N . 17512 1 742 . 1 1 73 73 LEU H H 1 7.57 0.021 . . . . . . 535 LEU H . 17512 1 743 . 1 1 73 73 LEU HA H 1 4.11 0.021 . . . . . . 535 LEU HA . 17512 1 744 . 1 1 73 73 LEU HB2 H 1 1.55 0.022 . . . . . . 535 LEU HB2 . 17512 1 745 . 1 1 73 73 LEU HB3 H 1 1.55 0.022 . . . . . . 535 LEU HB3 . 17512 1 746 . 1 1 73 73 LEU HG H 1 1.55 0.021 . . . . . . 535 LEU HG . 17512 1 747 . 1 1 73 73 LEU HD11 H 1 0.80 0.022 . . . . . . 535 LEU HD1# . 17512 1 748 . 1 1 73 73 LEU HD12 H 1 0.80 0.022 . . . . . . 535 LEU HD1# . 17512 1 749 . 1 1 73 73 LEU HD13 H 1 0.80 0.022 . . . . . . 535 LEU HD1# . 17512 1 750 . 1 1 73 73 LEU HD21 H 1 0.80 0.022 . . . . . . 535 LEU HD2# . 17512 1 751 . 1 1 73 73 LEU HD22 H 1 0.80 0.022 . . . . . . 535 LEU HD2# . 17512 1 752 . 1 1 73 73 LEU HD23 H 1 0.80 0.022 . . . . . . 535 LEU HD2# . 17512 1 753 . 1 1 73 73 LEU CA C 13 56.82 0.301 . . . . . . 535 LEU CA . 17512 1 754 . 1 1 73 73 LEU CB C 13 41.84 0.301 . . . . . . 535 LEU CB . 17512 1 755 . 1 1 73 73 LEU CG C 13 25.53 0.301 . . . . . . 535 LEU CG . 17512 1 756 . 1 1 73 73 LEU CD1 C 13 23.24 0.302 . . . . . . 535 LEU CD1 . 17512 1 757 . 1 1 73 73 LEU CD2 C 13 23.24 0.302 . . . . . . 535 LEU CD2 . 17512 1 758 . 1 1 73 73 LEU N N 15 120.87 0.301 . . . . . . 535 LEU N . 17512 1 759 . 1 1 75 75 GLU C C 13 177.11 0.301 . . . . . . 537 GLU CO . 17512 1 760 . 1 1 75 75 GLU CA C 13 59.68 0.301 . . . . . . 537 GLU CA . 17512 1 761 . 1 1 75 75 GLU CB C 13 29.07 0.301 . . . . . . 537 GLU CB . 17512 1 762 . 1 1 75 75 GLU CG C 13 36.52 0.301 . . . . . . 537 GLU CG . 17512 1 763 . 1 1 76 76 THR H H 1 7.76 0.021 . . . . . . 538 THR H . 17512 1 764 . 1 1 76 76 THR HA H 1 3.87 0.021 . . . . . . 538 THR HA . 17512 1 765 . 1 1 76 76 THR HB H 1 4.25 0.021 . . . . . . 538 THR HB . 17512 1 766 . 1 1 76 76 THR HG21 H 1 1.19 0.021 . . . . . . 538 THR HG2 . 17512 1 767 . 1 1 76 76 THR HG22 H 1 1.19 0.021 . . . . . . 538 THR HG2 . 17512 1 768 . 1 1 76 76 THR HG23 H 1 1.19 0.021 . . . . . . 538 THR HG2 . 17512 1 769 . 1 1 76 76 THR C C 13 173.96 0.301 . . . . . . 538 THR CO . 17512 1 770 . 1 1 76 76 THR CA C 13 67.17 0.301 . . . . . . 538 THR CA . 17512 1 771 . 1 1 76 76 THR CB C 13 67.74 0.301 . . . . . . 538 THR CB . 17512 1 772 . 1 1 76 76 THR CG2 C 13 22.02 0.301 . . . . . . 538 THR CG2 . 17512 1 773 . 1 1 76 76 THR N N 15 118.30 0.301 . . . . . . 538 THR N . 17512 1 774 . 1 1 77 77 LEU H H 1 8.18 0.021 . . . . . . 539 LEU H . 17512 1 775 . 1 1 77 77 LEU HA H 1 3.96 0.021 . . . . . . 539 LEU HA . 17512 1 776 . 1 1 77 77 LEU HB2 H 1 1.91 0.022 . . . . . . 539 LEU HB2 . 17512 1 777 . 1 1 77 77 LEU HB3 H 1 1.91 0.022 . . . . . . 539 LEU HB3 . 17512 1 778 . 1 1 77 77 LEU HG H 1 1.91 0.021 . . . . . . 539 LEU HG . 17512 1 779 . 1 1 77 77 LEU C C 13 177.22 0.301 . . . . . . 539 LEU CO . 17512 1 780 . 1 1 77 77 LEU CA C 13 58.87 0.301 . . . . . . 539 LEU CA . 17512 1 781 . 1 1 77 77 LEU CB C 13 41.33 0.301 . . . . . . 539 LEU CB . 17512 1 782 . 1 1 77 77 LEU CG C 13 26.41 0.301 . . . . . . 539 LEU CG . 17512 1 783 . 1 1 77 77 LEU N N 15 121.86 0.301 . . . . . . 539 LEU N . 17512 1 784 . 1 1 78 78 ILE H H 1 8.26 0.021 . . . . . . 540 ILE H . 17512 1 785 . 1 1 78 78 ILE HA H 1 3.49 0.021 . . . . . . 540 ILE HA . 17512 1 786 . 1 1 78 78 ILE HB H 1 1.78 0.021 . . . . . . 540 ILE HB . 17512 1 787 . 1 1 78 78 ILE HG12 H 1 0.93 0.022 . . . . . . 540 ILE HG12 . 17512 1 788 . 1 1 78 78 ILE HG13 H 1 1.59 0.022 . . . . . . 540 ILE HG13 . 17512 1 789 . 1 1 78 78 ILE HG21 H 1 0.76 0.021 . . . . . . 540 ILE HG2# . 17512 1 790 . 1 1 78 78 ILE HG22 H 1 0.76 0.021 . . . . . . 540 ILE HG2# . 17512 1 791 . 1 1 78 78 ILE HG23 H 1 0.76 0.021 . . . . . . 540 ILE HG2# . 17512 1 792 . 1 1 78 78 ILE HD11 H 1 0.67 0.021 . . . . . . 540 ILE HD1# . 17512 1 793 . 1 1 78 78 ILE HD12 H 1 0.67 0.021 . . . . . . 540 ILE HD1# . 17512 1 794 . 1 1 78 78 ILE HD13 H 1 0.67 0.021 . . . . . . 540 ILE HD1# . 17512 1 795 . 1 1 78 78 ILE C C 13 175.67 0.301 . . . . . . 540 ILE CO . 17512 1 796 . 1 1 78 78 ILE CA C 13 65.44 0.301 . . . . . . 540 ILE CA . 17512 1 797 . 1 1 78 78 ILE CB C 13 37.82 0.301 . . . . . . 540 ILE CB . 17512 1 798 . 1 1 78 78 ILE CG1 C 13 28.86 0.301 . . . . . . 540 ILE CG1 . 17512 1 799 . 1 1 78 78 ILE CG2 C 13 17.02 0.301 . . . . . . 540 ILE CG2 . 17512 1 800 . 1 1 78 78 ILE CD1 C 13 13.40 0.301 . . . . . . 540 ILE CD1 . 17512 1 801 . 1 1 78 78 ILE N N 15 122.04 0.301 . . . . . . 540 ILE N . 17512 1 802 . 1 1 79 79 SER H H 1 8.22 0.021 . . . . . . 541 SER H . 17512 1 803 . 1 1 79 79 SER HA H 1 4.04 0.021 . . . . . . 541 SER HA . 17512 1 804 . 1 1 79 79 SER HB2 H 1 3.83 0.022 . . . . . . 541 SER HB2 . 17512 1 805 . 1 1 79 79 SER HB3 H 1 3.90 0.022 . . . . . . 541 SER HB3 . 17512 1 806 . 1 1 79 79 SER C C 13 175.53 0.301 . . . . . . 541 SER CO . 17512 1 807 . 1 1 79 79 SER CA C 13 62.00 0.301 . . . . . . 541 SER CA . 17512 1 808 . 1 1 79 79 SER CB C 13 62.71 0.301 . . . . . . 541 SER CB . 17512 1 809 . 1 1 79 79 SER N N 15 117.18 0.301 . . . . . . 541 SER N . 17512 1 810 . 1 1 80 80 LEU H H 1 8.10 0.021 . . . . . . 542 LEU H . 17512 1 811 . 1 1 80 80 LEU HA H 1 3.97 0.021 . . . . . . 542 LEU HA . 17512 1 812 . 1 1 80 80 LEU HB2 H 1 1.92 0.022 . . . . . . 542 LEU HB2 . 17512 1 813 . 1 1 80 80 LEU HB3 H 1 1.92 0.022 . . . . . . 542 LEU HB3 . 17512 1 814 . 1 1 80 80 LEU HG H 1 1.92 0.021 . . . . . . 542 LEU HG . 17512 1 815 . 1 1 80 80 LEU HD11 H 1 0.73 0.022 . . . . . . 542 LEU HD1# . 17512 1 816 . 1 1 80 80 LEU HD12 H 1 0.73 0.022 . . . . . . 542 LEU HD1# . 17512 1 817 . 1 1 80 80 LEU HD13 H 1 0.73 0.022 . . . . . . 542 LEU HD1# . 17512 1 818 . 1 1 80 80 LEU HD21 H 1 0.73 0.022 . . . . . . 542 LEU HD2# . 17512 1 819 . 1 1 80 80 LEU HD22 H 1 0.73 0.022 . . . . . . 542 LEU HD2# . 17512 1 820 . 1 1 80 80 LEU HD23 H 1 0.73 0.022 . . . . . . 542 LEU HD2# . 17512 1 821 . 1 1 80 80 LEU CA C 13 57.75 0.301 . . . . . . 542 LEU CA . 17512 1 822 . 1 1 80 80 LEU CB C 13 42.16 0.301 . . . . . . 542 LEU CB . 17512 1 823 . 1 1 80 80 LEU N N 15 122.27 0.301 . . . . . . 542 LEU N . 17512 1 824 . 1 1 81 81 GLU H H 1 7.87 0.021 . . . . . . 543 GLU H . 17512 1 825 . 1 1 81 81 GLU HA H 1 3.87 0.021 . . . . . . 543 GLU HA . 17512 1 826 . 1 1 81 81 GLU HB2 H 1 2.17 0.022 . . . . . . 543 GLU HB2 . 17512 1 827 . 1 1 81 81 GLU HB3 H 1 2.17 0.022 . . . . . . 543 GLU HB3 . 17512 1 828 . 1 1 81 81 GLU HG2 H 1 2.17 0.022 . . . . . . 543 GLU HG2 . 17512 1 829 . 1 1 81 81 GLU HG3 H 1 2.17 0.022 . . . . . . 543 GLU HG3 . 17512 1 830 . 1 1 81 81 GLU C C 13 174.79 0.301 . . . . . . 543 GLU CO . 17512 1 831 . 1 1 81 81 GLU CA C 13 58.45 0.301 . . . . . . 543 GLU CA . 17512 1 832 . 1 1 81 81 GLU CB C 13 29.47 0.301 . . . . . . 543 GLU CB . 17512 1 833 . 1 1 81 81 GLU CG C 13 35.21 0.301 . . . . . . 543 GLU CG . 17512 1 834 . 1 1 81 81 GLU N N 15 120.44 0.301 . . . . . . 543 GLU N . 17512 1 835 . 1 1 82 82 GLN H H 1 7.41 0.021 . . . . . . 544 GLN H . 17512 1 836 . 1 1 82 82 GLN HA H 1 4.03 0.021 . . . . . . 544 GLN HA . 17512 1 837 . 1 1 82 82 GLN HB2 H 1 2.00 0.022 . . . . . . 544 GLN HB2 . 17512 1 838 . 1 1 82 82 GLN HB3 H 1 2.10 0.022 . . . . . . 544 GLN HB3 . 17512 1 839 . 1 1 82 82 GLN HG2 H 1 2.32 0.022 . . . . . . 544 GLN HG2 . 17512 1 840 . 1 1 82 82 GLN HG3 H 1 2.32 0.022 . . . . . . 544 GLN HG3 . 17512 1 841 . 1 1 82 82 GLN C C 13 173.17 0.301 . . . . . . 544 GLN CO . 17512 1 842 . 1 1 82 82 GLN CA C 13 56.30 0.301 . . . . . . 544 GLN CA . 17512 1 843 . 1 1 82 82 GLN CB C 13 29.02 0.301 . . . . . . 544 GLN CB . 17512 1 844 . 1 1 82 82 GLN CG C 13 34.22 0.301 . . . . . . 544 GLN CG . 17512 1 845 . 1 1 82 82 GLN N N 15 114.07 0.301 . . . . . . 544 GLN N . 17512 1 846 . 1 1 83 83 TYR H H 1 7.27 0.021 . . . . . . 545 TYR H . 17512 1 847 . 1 1 83 83 TYR HA H 1 4.29 0.021 . . . . . . 545 TYR HA . 17512 1 848 . 1 1 83 83 TYR HB2 H 1 2.69 0.022 . . . . . . 545 TYR HB2 . 17512 1 849 . 1 1 83 83 TYR HB3 H 1 2.69 0.022 . . . . . . 545 TYR HB3 . 17512 1 850 . 1 1 83 83 TYR HD1 H 1 6.71 0.023 . . . . . . 545 TYR HD1 . 17512 1 851 . 1 1 83 83 TYR C C 13 170.27 0.301 . . . . . . 545 TYR CO . 17512 1 852 . 1 1 83 83 TYR CA C 13 58.36 0.301 . . . . . . 545 TYR CA . 17512 1 853 . 1 1 83 83 TYR CB C 13 38.98 0.301 . . . . . . 545 TYR CB . 17512 1 854 . 1 1 83 83 TYR N N 15 121.64 0.301 . . . . . . 545 TYR N . 17512 1 855 . 1 1 84 84 ASN H H 1 7.61 0.021 . . . . . . 546 ASN H . 17512 1 856 . 1 1 84 84 ASN HA H 1 4.47 0.021 . . . . . . 546 ASN HA . 17512 1 857 . 1 1 84 84 ASN HB2 H 1 2.30 0.022 . . . . . . 546 ASN HB2 . 17512 1 858 . 1 1 84 84 ASN HB3 H 1 2.56 0.022 . . . . . . 546 ASN HB3 . 17512 1 859 . 1 1 84 84 ASN C C 13 171.94 0.301 . . . . . . 546 ASN CO . 17512 1 860 . 1 1 84 84 ASN CA C 13 51.20 0.301 . . . . . . 546 ASN CA . 17512 1 861 . 1 1 84 84 ASN CB C 13 40.55 0.301 . . . . . . 546 ASN CB . 17512 1 862 . 1 1 84 84 ASN N N 15 125.24 0.301 . . . . . . 546 ASN N . 17512 1 863 . 1 1 85 85 LEU H H 1 8.18 0.021 . . . . . . 547 LEU H . 17512 1 864 . 1 1 85 85 LEU HA H 1 3.79 0.021 . . . . . . 547 LEU HA . 17512 1 865 . 1 1 85 85 LEU HB2 H 1 1.35 0.022 . . . . . . 547 LEU HB2 . 17512 1 866 . 1 1 85 85 LEU HB3 H 1 1.35 0.022 . . . . . . 547 LEU HB3 . 17512 1 867 . 1 1 85 85 LEU HG H 1 1.35 0.021 . . . . . . 547 LEU HG . 17512 1 868 . 1 1 85 85 LEU HD11 H 1 0.32 0.022 . . . . . . 547 LEU HD1# . 17512 1 869 . 1 1 85 85 LEU HD12 H 1 0.32 0.022 . . . . . . 547 LEU HD1# . 17512 1 870 . 1 1 85 85 LEU HD13 H 1 0.32 0.022 . . . . . . 547 LEU HD1# . 17512 1 871 . 1 1 85 85 LEU HD21 H 1 0.63 0.022 . . . . . . 547 LEU HD2# . 17512 1 872 . 1 1 85 85 LEU HD22 H 1 0.63 0.022 . . . . . . 547 LEU HD2# . 17512 1 873 . 1 1 85 85 LEU HD23 H 1 0.63 0.022 . . . . . . 547 LEU HD2# . 17512 1 874 . 1 1 85 85 LEU C C 13 175.49 0.301 . . . . . . 547 LEU CO . 17512 1 875 . 1 1 85 85 LEU CA C 13 56.40 0.301 . . . . . . 547 LEU CA . 17512 1 876 . 1 1 85 85 LEU CB C 13 42.23 0.301 . . . . . . 547 LEU CB . 17512 1 877 . 1 1 85 85 LEU CG C 13 27.11 0.301 . . . . . . 547 LEU CG . 17512 1 878 . 1 1 85 85 LEU CD1 C 13 23.50 0.302 . . . . . . 547 LEU CD1 . 17512 1 879 . 1 1 85 85 LEU CD2 C 13 23.50 0.302 . . . . . . 547 LEU CD2 . 17512 1 880 . 1 1 85 85 LEU N N 15 123.59 0.301 . . . . . . 547 LEU N . 17512 1 881 . 1 1 86 86 ASN H H 1 8.40 0.021 . . . . . . 548 ASN H . 17512 1 882 . 1 1 86 86 ASN HA H 1 4.46 0.021 . . . . . . 548 ASN HA . 17512 1 883 . 1 1 86 86 ASN HB2 H 1 2.63 0.022 . . . . . . 548 ASN HB2 . 17512 1 884 . 1 1 86 86 ASN HB3 H 1 2.63 0.022 . . . . . . 548 ASN HB3 . 17512 1 885 . 1 1 86 86 ASN C C 13 172.53 0.301 . . . . . . 548 ASN CO . 17512 1 886 . 1 1 86 86 ASN CA C 13 54.55 0.301 . . . . . . 548 ASN CA . 17512 1 887 . 1 1 86 86 ASN CB C 13 38.05 0.301 . . . . . . 548 ASN CB . 17512 1 888 . 1 1 86 86 ASN N N 15 117.23 0.301 . . . . . . 548 ASN N . 17512 1 889 . 1 1 87 87 ASP H H 1 7.89 0.021 . . . . . . 549 ASP H . 17512 1 890 . 1 1 87 87 ASP HA H 1 4.47 0.021 . . . . . . 549 ASP HA . 17512 1 891 . 1 1 87 87 ASP HB2 H 1 2.63 0.022 . . . . . . 549 ASP HB2 . 17512 1 892 . 1 1 87 87 ASP HB3 H 1 2.63 0.022 . . . . . . 549 ASP HB3 . 17512 1 893 . 1 1 87 87 ASP C C 13 174.14 0.301 . . . . . . 549 ASP CO . 17512 1 894 . 1 1 87 87 ASP CA C 13 54.95 0.301 . . . . . . 549 ASP CA . 17512 1 895 . 1 1 87 87 ASP CB C 13 40.73 0.301 . . . . . . 549 ASP CB . 17512 1 896 . 1 1 87 87 ASP N N 15 118.74 0.301 . . . . . . 549 ASP N . 17512 1 897 . 1 1 88 88 GLU H H 1 7.56 0.021 . . . . . . 550 GLU H . 17512 1 898 . 1 1 88 88 GLU HA H 1 4.38 0.021 . . . . . . 550 GLU HA . 17512 1 899 . 1 1 88 88 GLU CA C 13 54.23 0.301 . . . . . . 550 GLU CA . 17512 1 900 . 1 1 88 88 GLU CB C 13 29.92 0.301 . . . . . . 550 GLU CB . 17512 1 901 . 1 1 88 88 GLU N N 15 120.32 0.301 . . . . . . 550 GLU N . 17512 1 902 . 1 1 90 90 TYR HA H 1 4.48 0.021 . . . . . . 552 TYR HA . 17512 1 903 . 1 1 90 90 TYR HB2 H 1 2.97 0.022 . . . . . . 552 TYR HB2 . 17512 1 904 . 1 1 90 90 TYR HB3 H 1 2.97 0.022 . . . . . . 552 TYR HB3 . 17512 1 905 . 1 1 90 90 TYR C C 13 173.07 0.301 . . . . . . 552 TYR CO . 17512 1 906 . 1 1 90 90 TYR CA C 13 58.04 0.301 . . . . . . 552 TYR CA . 17512 1 907 . 1 1 90 90 TYR CB C 13 38.95 0.301 . . . . . . 552 TYR CB . 17512 1 908 . 1 1 91 91 GLU H H 1 8.64 0.021 . . . . . . 553 GLU H . 17512 1 909 . 1 1 91 91 GLU HA H 1 4.07 0.021 . . . . . . 553 GLU HA . 17512 1 910 . 1 1 91 91 GLU HB2 H 1 1.85 0.022 . . . . . . 553 GLU HB2 . 17512 1 911 . 1 1 91 91 GLU HB3 H 1 1.88 0.022 . . . . . . 553 GLU HB3 . 17512 1 912 . 1 1 91 91 GLU HG2 H 1 2.11 0.022 . . . . . . 553 GLU HG2 . 17512 1 913 . 1 1 91 91 GLU HG3 H 1 2.11 0.022 . . . . . . 553 GLU HG3 . 17512 1 914 . 1 1 91 91 GLU C C 13 173.40 0.301 . . . . . . 553 GLU CO . 17512 1 915 . 1 1 91 91 GLU CA C 13 57.28 0.301 . . . . . . 553 GLU CA . 17512 1 916 . 1 1 91 91 GLU CB C 13 29.37 0.301 . . . . . . 553 GLU CB . 17512 1 917 . 1 1 91 91 GLU CG C 13 36.32 0.301 . . . . . . 553 GLU CG . 17512 1 918 . 1 1 91 91 GLU N N 15 119.85 0.301 . . . . . . 553 GLU N . 17512 1 919 . 1 1 92 92 ASN H H 1 7.78 0.021 . . . . . . 554 ASN H . 17512 1 920 . 1 1 92 92 ASN HA H 1 4.16 0.021 . . . . . . 554 ASN HA . 17512 1 921 . 1 1 92 92 ASN HB2 H 1 2.70 0.022 . . . . . . 554 ASN HB2 . 17512 1 922 . 1 1 92 92 ASN HB3 H 1 2.70 0.022 . . . . . . 554 ASN HB3 . 17512 1 923 . 1 1 92 92 ASN C C 13 174.66 0.301 . . . . . . 554 ASN CO . 17512 1 924 . 1 1 92 92 ASN CA C 13 53.36 0.301 . . . . . . 554 ASN CA . 17512 1 925 . 1 1 92 92 ASN CB C 13 39.81 0.301 . . . . . . 554 ASN CB . 17512 1 926 . 1 1 92 92 ASN N N 15 119.35 0.301 . . . . . . 554 ASN N . 17512 1 927 . 1 1 93 93 GLU H H 1 8.56 0.021 . . . . . . 555 GLU H . 17512 1 928 . 1 1 93 93 GLU HA H 1 4.60 0.021 . . . . . . 555 GLU HA . 17512 1 929 . 1 1 93 93 GLU HB2 H 1 2.72 0.022 . . . . . . 555 GLU HB2 . 17512 1 930 . 1 1 93 93 GLU HB3 H 1 2.72 0.022 . . . . . . 555 GLU HB3 . 17512 1 931 . 1 1 93 93 GLU C C 13 174.66 0.301 . . . . . . 555 GLU CO . 17512 1 932 . 1 1 93 93 GLU CA C 13 55.23 0.301 . . . . . . 555 GLU CA . 17512 1 933 . 1 1 93 93 GLU CB C 13 39.34 0.301 . . . . . . 555 GLU CB . 17512 1 934 . 1 1 93 93 GLU N N 15 121.11 0.301 . . . . . . 555 GLU N . 17512 1 935 . 1 1 94 94 ILE H H 1 8.53 0.021 . . . . . . 556 ILE H . 17512 1 936 . 1 1 94 94 ILE HA H 1 3.41 0.021 . . . . . . 556 ILE HA . 17512 1 937 . 1 1 94 94 ILE HB H 1 1.02 0.021 . . . . . . 556 ILE HB . 17512 1 938 . 1 1 94 94 ILE HG12 H 1 1.02 0.022 . . . . . . 556 ILE HG12 . 17512 1 939 . 1 1 94 94 ILE HG13 H 1 0.23 0.022 . . . . . . 556 ILE HG13 . 17512 1 940 . 1 1 94 94 ILE HG21 H 1 0.17 0.021 . . . . . . 556 ILE HG2# . 17512 1 941 . 1 1 94 94 ILE HG22 H 1 0.17 0.021 . . . . . . 556 ILE HG2# . 17512 1 942 . 1 1 94 94 ILE HG23 H 1 0.17 0.021 . . . . . . 556 ILE HG2# . 17512 1 943 . 1 1 94 94 ILE HD11 H 1 0.24 0.021 . . . . . . 556 ILE HD1# . 17512 1 944 . 1 1 94 94 ILE HD12 H 1 0.24 0.021 . . . . . . 556 ILE HD1# . 17512 1 945 . 1 1 94 94 ILE HD13 H 1 0.24 0.021 . . . . . . 556 ILE HD1# . 17512 1 946 . 1 1 94 94 ILE C C 13 174.45 0.301 . . . . . . 556 ILE CO . 17512 1 947 . 1 1 94 94 ILE CA C 13 65.60 0.301 . . . . . . 556 ILE CA . 17512 1 948 . 1 1 94 94 ILE CB C 13 39.41 0.301 . . . . . . 556 ILE CB . 17512 1 949 . 1 1 94 94 ILE CG1 C 13 29.00 0.301 . . . . . . 556 ILE CG1 . 17512 1 950 . 1 1 94 94 ILE CG2 C 13 16.38 0.301 . . . . . . 556 ILE CG2 . 17512 1 951 . 1 1 94 94 ILE CD1 C 13 14.02 0.301 . . . . . . 556 ILE CD1 . 17512 1 952 . 1 1 94 94 ILE N N 15 121.07 0.301 . . . . . . 556 ILE N . 17512 1 953 . 1 1 95 95 ASP H H 1 7.89 0.021 . . . . . . 557 ASP H . 17512 1 954 . 1 1 95 95 ASP HA H 1 4.12 0.021 . . . . . . 557 ASP HA . 17512 1 955 . 1 1 95 95 ASP HB2 H 1 2.24 0.022 . . . . . . 557 ASP HB2 . 17512 1 956 . 1 1 95 95 ASP HB3 H 1 2.50 0.022 . . . . . . 557 ASP HB3 . 17512 1 957 . 1 1 95 95 ASP C C 13 174.72 0.301 . . . . . . 557 ASP CO . 17512 1 958 . 1 1 95 95 ASP CA C 13 57.01 0.301 . . . . . . 557 ASP CA . 17512 1 959 . 1 1 95 95 ASP CB C 13 40.88 0.301 . . . . . . 557 ASP CB . 17512 1 960 . 1 1 95 95 ASP N N 15 116.85 0.301 . . . . . . 557 ASP N . 17512 1 961 . 1 1 96 96 ASP H H 1 7.40 0.021 . . . . . . 558 ASP H . 17512 1 962 . 1 1 96 96 ASP HA H 1 4.23 0.021 . . . . . . 558 ASP HA . 17512 1 963 . 1 1 96 96 ASP HB2 H 1 2.30 0.022 . . . . . . 558 ASP HB2 . 17512 1 964 . 1 1 96 96 ASP HB3 H 1 2.30 0.022 . . . . . . 558 ASP HB3 . 17512 1 965 . 1 1 96 96 ASP C C 13 176.07 0.301 . . . . . . 558 ASP CO . 17512 1 966 . 1 1 96 96 ASP CA C 13 57.39 0.301 . . . . . . 558 ASP CA . 17512 1 967 . 1 1 96 96 ASP CB C 13 40.41 0.301 . . . . . . 558 ASP CB . 17512 1 968 . 1 1 96 96 ASP N N 15 117.10 0.301 . . . . . . 558 ASP N . 17512 1 969 . 1 1 97 97 TYR H H 1 6.95 0.021 . . . . . . 559 TYR H . 17512 1 970 . 1 1 97 97 TYR HA H 1 4.21 0.021 . . . . . . 559 TYR HA . 17512 1 971 . 1 1 97 97 TYR HB2 H 1 3.14 0.022 . . . . . . 559 TYR HB2 . 17512 1 972 . 1 1 97 97 TYR HB3 H 1 3.22 0.022 . . . . . . 559 TYR HB3 . 17512 1 973 . 1 1 97 97 TYR HD1 H 1 7.11 0.023 . . . . . . 559 TYR HD1 . 17512 1 974 . 1 1 97 97 TYR HE1 H 1 6.73 0.023 . . . . . . 559 TYR HE1 . 17512 1 975 . 1 1 97 97 TYR C C 13 175.00 0.301 . . . . . . 559 TYR CO . 17512 1 976 . 1 1 97 97 TYR CA C 13 60.01 0.301 . . . . . . 559 TYR CA . 17512 1 977 . 1 1 97 97 TYR CB C 13 37.41 0.301 . . . . . . 559 TYR CB . 17512 1 978 . 1 1 97 97 TYR CD1 C 13 132.58 0.303 . . . . . . 559 TYR CD1 . 17512 1 979 . 1 1 97 97 TYR CE1 C 13 117.84 0.303 . . . . . . 559 TYR CE1 . 17512 1 980 . 1 1 97 97 TYR N N 15 118.51 0.301 . . . . . . 559 TYR N . 17512 1 981 . 1 1 98 98 VAL H H 1 7.57 0.021 . . . . . . 560 VAL H . 17512 1 982 . 1 1 98 98 VAL HA H 1 3.87 0.021 . . . . . . 560 VAL HA . 17512 1 983 . 1 1 98 98 VAL HB H 1 2.22 0.021 . . . . . . 560 VAL HB . 17512 1 984 . 1 1 98 98 VAL HG11 H 1 1.01 0.022 . . . . . . 560 VAL HG1# . 17512 1 985 . 1 1 98 98 VAL HG12 H 1 1.01 0.022 . . . . . . 560 VAL HG1# . 17512 1 986 . 1 1 98 98 VAL HG13 H 1 1.01 0.022 . . . . . . 560 VAL HG1# . 17512 1 987 . 1 1 98 98 VAL HG21 H 1 0.80 0.022 . . . . . . 560 VAL HG2# . 17512 1 988 . 1 1 98 98 VAL HG22 H 1 0.80 0.022 . . . . . . 560 VAL HG2# . 17512 1 989 . 1 1 98 98 VAL HG23 H 1 0.80 0.022 . . . . . . 560 VAL HG2# . 17512 1 990 . 1 1 98 98 VAL C C 13 174.15 0.301 . . . . . . 560 VAL CO . 17512 1 991 . 1 1 98 98 VAL CA C 13 66.67 0.301 . . . . . . 560 VAL CA . 17512 1 992 . 1 1 98 98 VAL CB C 13 31.13 0.301 . . . . . . 560 VAL CB . 17512 1 993 . 1 1 98 98 VAL CG1 C 13 24.12 0.302 . . . . . . 560 VAL CG1 . 17512 1 994 . 1 1 98 98 VAL CG2 C 13 21.73 0.302 . . . . . . 560 VAL CG2 . 17512 1 995 . 1 1 98 98 VAL N N 15 119.29 0.301 . . . . . . 560 VAL N . 17512 1 996 . 1 1 99 99 ASN H H 1 7.64 0.021 . . . . . . 561 ASN H . 17512 1 997 . 1 1 99 99 ASN HA H 1 4.28 0.021 . . . . . . 561 ASN HA . 17512 1 998 . 1 1 99 99 ASN HB2 H 1 2.70 0.022 . . . . . . 561 ASN HB2 . 17512 1 999 . 1 1 99 99 ASN HB3 H 1 2.70 0.022 . . . . . . 561 ASN HB3 . 17512 1 1000 . 1 1 99 99 ASN C C 13 173.73 0.301 . . . . . . 561 ASN CO . 17512 1 1001 . 1 1 99 99 ASN CA C 13 56.04 0.301 . . . . . . 561 ASN CA . 17512 1 1002 . 1 1 99 99 ASN CB C 13 37.81 0.301 . . . . . . 561 ASN CB . 17512 1 1003 . 1 1 99 99 ASN N N 15 114.96 0.301 . . . . . . 561 ASN N . 17512 1 1004 . 1 1 100 100 VAL H H 1 7.23 0.021 . . . . . . 562 VAL H . 17512 1 1005 . 1 1 100 100 VAL HA H 1 3.60 0.021 . . . . . . 562 VAL HA . 17512 1 1006 . 1 1 100 100 VAL HB H 1 2.00 0.021 . . . . . . 562 VAL HB . 17512 1 1007 . 1 1 100 100 VAL HG11 H 1 0.92 0.022 . . . . . . 562 VAL HG1# . 17512 1 1008 . 1 1 100 100 VAL HG12 H 1 0.92 0.022 . . . . . . 562 VAL HG1# . 17512 1 1009 . 1 1 100 100 VAL HG13 H 1 0.92 0.022 . . . . . . 562 VAL HG1# . 17512 1 1010 . 1 1 100 100 VAL HG21 H 1 0.87 0.022 . . . . . . 562 VAL HG2# . 17512 1 1011 . 1 1 100 100 VAL HG22 H 1 0.87 0.022 . . . . . . 562 VAL HG2# . 17512 1 1012 . 1 1 100 100 VAL HG23 H 1 0.87 0.022 . . . . . . 562 VAL HG2# . 17512 1 1013 . 1 1 100 100 VAL C C 13 176.08 0.301 . . . . . . 562 VAL CO . 17512 1 1014 . 1 1 100 100 VAL CA C 13 66.25 0.301 . . . . . . 562 VAL CA . 17512 1 1015 . 1 1 100 100 VAL CB C 13 32.16 0.301 . . . . . . 562 VAL CB . 17512 1 1016 . 1 1 100 100 VAL CG1 C 13 22.37 0.302 . . . . . . 562 VAL CG1 . 17512 1 1017 . 1 1 100 100 VAL CG2 C 13 20.99 0.302 . . . . . . 562 VAL CG2 . 17512 1 1018 . 1 1 100 100 VAL N N 15 119.29 0.301 . . . . . . 562 VAL N . 17512 1 1019 . 1 1 101 101 ILE H H 1 7.85 0.021 . . . . . . 563 ILE H . 17512 1 1020 . 1 1 101 101 ILE HA H 1 3.53 0.021 . . . . . . 563 ILE HA . 17512 1 1021 . 1 1 101 101 ILE HB H 1 1.17 0.021 . . . . . . 563 ILE HB . 17512 1 1022 . 1 1 101 101 ILE HG12 H 1 0.45 0.022 . . . . . . 563 ILE HG12 . 17512 1 1023 . 1 1 101 101 ILE HG13 H 1 1.39 0.022 . . . . . . 563 ILE HG13 . 17512 1 1024 . 1 1 101 101 ILE HG21 H 1 0.06 0.021 . . . . . . 563 ILE HG2# . 17512 1 1025 . 1 1 101 101 ILE HG22 H 1 0.06 0.021 . . . . . . 563 ILE HG2# . 17512 1 1026 . 1 1 101 101 ILE HG23 H 1 0.06 0.021 . . . . . . 563 ILE HG2# . 17512 1 1027 . 1 1 101 101 ILE HD11 H 1 -0.08 0.021 . . . . . . 563 ILE HD1# . 17512 1 1028 . 1 1 101 101 ILE HD12 H 1 -0.08 0.021 . . . . . . 563 ILE HD1# . 17512 1 1029 . 1 1 101 101 ILE HD13 H 1 -0.08 0.021 . . . . . . 563 ILE HD1# . 17512 1 1030 . 1 1 101 101 ILE C C 13 174.72 0.301 . . . . . . 563 ILE CO . 17512 1 1031 . 1 1 101 101 ILE CA C 13 64.47 0.301 . . . . . . 563 ILE CA . 17512 1 1032 . 1 1 101 101 ILE CB C 13 38.44 0.301 . . . . . . 563 ILE CB . 17512 1 1033 . 1 1 101 101 ILE CG1 C 13 28.26 0.301 . . . . . . 563 ILE CG1 . 17512 1 1034 . 1 1 101 101 ILE CG2 C 13 16.76 0.301 . . . . . . 563 ILE CG2 . 17512 1 1035 . 1 1 101 101 ILE CD1 C 13 13.92 0.301 . . . . . . 563 ILE CD1 . 17512 1 1036 . 1 1 101 101 ILE N N 15 121.62 0.301 . . . . . . 563 ILE N . 17512 1 1037 . 1 1 102 102 ASN H H 1 7.88 0.021 . . . . . . 564 ASN H . 17512 1 1038 . 1 1 102 102 ASN HA H 1 4.53 0.021 . . . . . . 564 ASN HA . 17512 1 1039 . 1 1 102 102 ASN HB2 H 1 2.49 0.022 . . . . . . 564 ASN HB2 . 17512 1 1040 . 1 1 102 102 ASN HB3 H 1 2.59 0.022 . . . . . . 564 ASN HB3 . 17512 1 1041 . 1 1 102 102 ASN C C 13 174.39 0.301 . . . . . . 564 ASN CO . 17512 1 1042 . 1 1 102 102 ASN CA C 13 53.64 0.301 . . . . . . 564 ASN CA . 17512 1 1043 . 1 1 102 102 ASN CB C 13 38.05 0.301 . . . . . . 564 ASN CB . 17512 1 1044 . 1 1 102 102 ASN N N 15 113.65 0.301 . . . . . . 564 ASN N . 17512 1 1045 . 1 1 103 103 GLU H H 1 7.64 0.021 . . . . . . 565 GLU H . 17512 1 1046 . 1 1 103 103 GLU HA H 1 4.01 0.021 . . . . . . 565 GLU HA . 17512 1 1047 . 1 1 103 103 GLU HB2 H 1 1.96 0.022 . . . . . . 565 GLU HB2 . 17512 1 1048 . 1 1 103 103 GLU HB3 H 1 1.96 0.022 . . . . . . 565 GLU HB3 . 17512 1 1049 . 1 1 103 103 GLU HG2 H 1 2.41 0.022 . . . . . . 565 GLU HG2 . 17512 1 1050 . 1 1 103 103 GLU HG3 H 1 2.41 0.022 . . . . . . 565 GLU HG3 . 17512 1 1051 . 1 1 103 103 GLU C C 13 175.02 0.301 . . . . . . 565 GLU CO . 17512 1 1052 . 1 1 103 103 GLU CA C 13 58.33 0.301 . . . . . . 565 GLU CA . 17512 1 1053 . 1 1 103 103 GLU CB C 13 29.88 0.301 . . . . . . 565 GLU CB . 17512 1 1054 . 1 1 103 103 GLU CG C 13 36.43 0.301 . . . . . . 565 GLU CG . 17512 1 1055 . 1 1 103 103 GLU N N 15 121.92 0.301 . . . . . . 565 GLU N . 17512 1 1056 . 1 1 104 104 LYS H H 1 7.90 0.021 . . . . . . 566 LYS H . 17512 1 1057 . 1 1 104 104 LYS HA H 1 4.27 0.021 . . . . . . 566 LYS HA . 17512 1 1058 . 1 1 104 104 LYS HB2 H 1 1.78 0.022 . . . . . . 566 LYS HB2 . 17512 1 1059 . 1 1 104 104 LYS HB3 H 1 1.94 0.022 . . . . . . 566 LYS HB3 . 17512 1 1060 . 1 1 104 104 LYS HE2 H 1 3.13 0.022 . . . . . . 566 LYS HE2 . 17512 1 1061 . 1 1 104 104 LYS HE3 H 1 3.13 0.022 . . . . . . 566 LYS HE3 . 17512 1 1062 . 1 1 104 104 LYS C C 13 174.81 0.301 . . . . . . 566 LYS CO . 17512 1 1063 . 1 1 104 104 LYS CA C 13 56.74 0.301 . . . . . . 566 LYS CA . 17512 1 1064 . 1 1 104 104 LYS CB C 13 32.21 0.301 . . . . . . 566 LYS CB . 17512 1 1065 . 1 1 104 104 LYS CG C 13 24.55 0.301 . . . . . . 566 LYS CG . 17512 1 1066 . 1 1 104 104 LYS CD C 13 28.96 0.301 . . . . . . 566 LYS CD . 17512 1 1067 . 1 1 104 104 LYS CE C 13 42.27 0.301 . . . . . . 566 LYS CE . 17512 1 1068 . 1 1 104 104 LYS N N 15 119.91 0.301 . . . . . . 566 LYS N . 17512 1 1069 . 1 1 105 105 GLY H H 1 8.12 0.021 . . . . . . 567 GLY H . 17512 1 1070 . 1 1 105 105 GLY HA2 H 1 3.90 0.022 . . . . . . 567 GLY HA2 . 17512 1 1071 . 1 1 105 105 GLY HA3 H 1 3.90 0.022 . . . . . . 567 GLY HA3 . 17512 1 1072 . 1 1 105 105 GLY C C 13 171.70 0.301 . . . . . . 567 GLY CO . 17512 1 1073 . 1 1 105 105 GLY CA C 13 45.62 0.301 . . . . . . 567 GLY CA . 17512 1 1074 . 1 1 105 105 GLY N N 15 108.23 0.301 . . . . . . 567 GLY N . 17512 1 1075 . 1 1 106 106 GLN H H 1 7.97 0.021 . . . . . . 568 GLN H . 17512 1 1076 . 1 1 106 106 GLN HA H 1 4.29 0.021 . . . . . . 568 GLN HA . 17512 1 1077 . 1 1 106 106 GLN HB2 H 1 2.02 0.022 . . . . . . 568 GLN HB2 . 17512 1 1078 . 1 1 106 106 GLN HB3 H 1 1.87 0.022 . . . . . . 568 GLN HB3 . 17512 1 1079 . 1 1 106 106 GLN HG2 H 1 2.24 0.022 . . . . . . 568 GLN HG2 . 17512 1 1080 . 1 1 106 106 GLN HG3 H 1 2.24 0.022 . . . . . . 568 GLN HG3 . 17512 1 1081 . 1 1 106 106 GLN C C 13 173.47 0.301 . . . . . . 568 GLN CO . 17512 1 1082 . 1 1 106 106 GLN CA C 13 55.64 0.301 . . . . . . 568 GLN CA . 17512 1 1083 . 1 1 106 106 GLN CB C 13 29.66 0.301 . . . . . . 568 GLN CB . 17512 1 1084 . 1 1 106 106 GLN CG C 13 33.70 0.301 . . . . . . 568 GLN CG . 17512 1 1085 . 1 1 106 106 GLN N N 15 119.17 0.301 . . . . . . 568 GLN N . 17512 1 1086 . 1 1 107 107 GLU H H 1 8.30 0.021 . . . . . . 569 GLU H . 17512 1 1087 . 1 1 107 107 GLU HA H 1 4.33 0.021 . . . . . . 569 GLU HA . 17512 1 1088 . 1 1 107 107 GLU HB2 H 1 1.77 0.022 . . . . . . 569 GLU HB2 . 17512 1 1089 . 1 1 107 107 GLU HB3 H 1 1.93 0.022 . . . . . . 569 GLU HB3 . 17512 1 1090 . 1 1 107 107 GLU HG2 H 1 2.23 0.022 . . . . . . 569 GLU HG2 . 17512 1 1091 . 1 1 107 107 GLU HG3 H 1 2.23 0.022 . . . . . . 569 GLU HG3 . 17512 1 1092 . 1 1 107 107 GLU C C 13 173.96 0.301 . . . . . . 569 GLU CO . 17512 1 1093 . 1 1 107 107 GLU CA C 13 56.36 0.301 . . . . . . 569 GLU CA . 17512 1 1094 . 1 1 107 107 GLU CB C 13 30.48 0.301 . . . . . . 569 GLU CB . 17512 1 1095 . 1 1 107 107 GLU CG C 13 35.64 0.301 . . . . . . 569 GLU CG . 17512 1 1096 . 1 1 107 107 GLU N N 15 121.73 0.301 . . . . . . 569 GLU N . 17512 1 1097 . 1 1 108 108 THR H H 1 8.52 0.021 . . . . . . 570 THR H . 17512 1 1098 . 1 1 108 108 THR HA H 1 4.42 0.021 . . . . . . 570 THR HA . 17512 1 1099 . 1 1 108 108 THR HB H 1 4.60 0.021 . . . . . . 570 THR HB . 17512 1 1100 . 1 1 108 108 THR HG21 H 1 1.21 0.021 . . . . . . 570 THR HG2 . 17512 1 1101 . 1 1 108 108 THR HG22 H 1 1.21 0.021 . . . . . . 570 THR HG2 . 17512 1 1102 . 1 1 108 108 THR HG23 H 1 1.21 0.021 . . . . . . 570 THR HG2 . 17512 1 1103 . 1 1 108 108 THR C C 13 172.63 0.301 . . . . . . 570 THR CO . 17512 1 1104 . 1 1 108 108 THR CA C 13 60.24 0.301 . . . . . . 570 THR CA . 17512 1 1105 . 1 1 108 108 THR CB C 13 71.84 0.301 . . . . . . 570 THR CB . 17512 1 1106 . 1 1 108 108 THR CG2 C 13 21.98 0.301 . . . . . . 570 THR CG2 . 17512 1 1107 . 1 1 108 108 THR N N 15 113.58 0.301 . . . . . . 570 THR N . 17512 1 1108 . 1 1 109 109 ILE H H 1 8.78 0.021 . . . . . . 571 ILE H . 17512 1 1109 . 1 1 109 109 ILE HA H 1 3.78 0.021 . . . . . . 571 ILE HA . 17512 1 1110 . 1 1 109 109 ILE HB H 1 1.78 0.021 . . . . . . 571 ILE HB . 17512 1 1111 . 1 1 109 109 ILE HG12 H 1 1.21 0.022 . . . . . . 571 ILE HG12 . 17512 1 1112 . 1 1 109 109 ILE HG13 H 1 1.42 0.022 . . . . . . 571 ILE HG13 . 17512 1 1113 . 1 1 109 109 ILE HG21 H 1 0.83 0.021 . . . . . . 571 ILE HG2# . 17512 1 1114 . 1 1 109 109 ILE HG22 H 1 0.83 0.021 . . . . . . 571 ILE HG2# . 17512 1 1115 . 1 1 109 109 ILE HG23 H 1 0.83 0.021 . . . . . . 571 ILE HG2# . 17512 1 1116 . 1 1 109 109 ILE HD11 H 1 0.76 0.021 . . . . . . 571 ILE HD1# . 17512 1 1117 . 1 1 109 109 ILE HD12 H 1 0.76 0.021 . . . . . . 571 ILE HD1# . 17512 1 1118 . 1 1 109 109 ILE HD13 H 1 0.76 0.021 . . . . . . 571 ILE HD1# . 17512 1 1119 . 1 1 109 109 ILE C C 13 174.90 0.301 . . . . . . 571 ILE CO . 17512 1 1120 . 1 1 109 109 ILE CA C 13 63.80 0.301 . . . . . . 571 ILE CA . 17512 1 1121 . 1 1 109 109 ILE CB C 13 37.49 0.301 . . . . . . 571 ILE CB . 17512 1 1122 . 1 1 109 109 ILE CG1 C 13 29.39 0.301 . . . . . . 571 ILE CG1 . 17512 1 1123 . 1 1 109 109 ILE CG2 C 13 17.99 0.301 . . . . . . 571 ILE CG2 . 17512 1 1124 . 1 1 109 109 ILE CD1 C 13 13.18 0.301 . . . . . . 571 ILE CD1 . 17512 1 1125 . 1 1 109 109 ILE N N 15 121.07 0.301 . . . . . . 571 ILE N . 17512 1 1126 . 1 1 110 110 GLU H H 1 8.38 0.021 . . . . . . 572 GLU H . 17512 1 1127 . 1 1 110 110 GLU HA H 1 4.03 0.021 . . . . . . 572 GLU HA . 17512 1 1128 . 1 1 110 110 GLU HB2 H 1 1.81 0.022 . . . . . . 572 GLU HB2 . 17512 1 1129 . 1 1 110 110 GLU HB3 H 1 1.95 0.022 . . . . . . 572 GLU HB3 . 17512 1 1130 . 1 1 110 110 GLU HG2 H 1 2.15 0.022 . . . . . . 572 GLU HG2 . 17512 1 1131 . 1 1 110 110 GLU HG3 H 1 2.23 0.022 . . . . . . 572 GLU HG3 . 17512 1 1132 . 1 1 110 110 GLU C C 13 176.54 0.301 . . . . . . 572 GLU CO . 17512 1 1133 . 1 1 110 110 GLU CA C 13 60.22 0.301 . . . . . . 572 GLU CA . 17512 1 1134 . 1 1 110 110 GLU CB C 13 29.10 0.301 . . . . . . 572 GLU CB . 17512 1 1135 . 1 1 110 110 GLU CG C 13 36.71 0.301 . . . . . . 572 GLU CG . 17512 1 1136 . 1 1 110 110 GLU N N 15 120.44 0.301 . . . . . . 572 GLU N . 17512 1 1137 . 1 1 111 111 SER H H 1 8.14 0.021 . . . . . . 573 SER H . 17512 1 1138 . 1 1 111 111 SER HA H 1 4.17 0.021 . . . . . . 573 SER HA . 17512 1 1139 . 1 1 111 111 SER HB2 H 1 3.91 0.022 . . . . . . 573 SER HB2 . 17512 1 1140 . 1 1 111 111 SER HB3 H 1 3.91 0.022 . . . . . . 573 SER HB3 . 17512 1 1141 . 1 1 111 111 SER C C 13 174.97 0.301 . . . . . . 573 SER CO . 17512 1 1142 . 1 1 111 111 SER CA C 13 61.58 0.301 . . . . . . 573 SER CA . 17512 1 1143 . 1 1 111 111 SER CB C 13 62.59 0.301 . . . . . . 573 SER CB . 17512 1 1144 . 1 1 111 111 SER N N 15 117.71 0.301 . . . . . . 573 SER N . 17512 1 1145 . 1 1 112 112 LEU H H 1 8.32 0.021 . . . . . . 574 LEU H . 17512 1 1146 . 1 1 112 112 LEU HA H 1 3.77 0.021 . . . . . . 574 LEU HA . 17512 1 1147 . 1 1 112 112 LEU HB2 H 1 1.85 0.022 . . . . . . 574 LEU HB2 . 17512 1 1148 . 1 1 112 112 LEU HB3 H 1 1.85 0.022 . . . . . . 574 LEU HB3 . 17512 1 1149 . 1 1 112 112 LEU HG H 1 1.14 0.021 . . . . . . 574 LEU HG . 17512 1 1150 . 1 1 112 112 LEU HD11 H 1 0.68 0.022 . . . . . . 574 LEU HD1# . 17512 1 1151 . 1 1 112 112 LEU HD12 H 1 0.68 0.022 . . . . . . 574 LEU HD1# . 17512 1 1152 . 1 1 112 112 LEU HD13 H 1 0.68 0.022 . . . . . . 574 LEU HD1# . 17512 1 1153 . 1 1 112 112 LEU HD21 H 1 0.80 0.022 . . . . . . 574 LEU HD2# . 17512 1 1154 . 1 1 112 112 LEU HD22 H 1 0.80 0.022 . . . . . . 574 LEU HD2# . 17512 1 1155 . 1 1 112 112 LEU HD23 H 1 0.80 0.022 . . . . . . 574 LEU HD2# . 17512 1 1156 . 1 1 112 112 LEU C C 13 176.15 0.301 . . . . . . 574 LEU CO . 17512 1 1157 . 1 1 112 112 LEU CA C 13 58.08 0.301 . . . . . . 574 LEU CA . 17512 1 1158 . 1 1 112 112 LEU CB C 13 42.88 0.301 . . . . . . 574 LEU CB . 17512 1 1159 . 1 1 112 112 LEU CG C 13 27.26 0.301 . . . . . . 574 LEU CG . 17512 1 1160 . 1 1 112 112 LEU CD1 C 13 23.52 0.302 . . . . . . 574 LEU CD1 . 17512 1 1161 . 1 1 112 112 LEU CD2 C 13 25.90 0.302 . . . . . . 574 LEU CD2 . 17512 1 1162 . 1 1 112 112 LEU N N 15 122.88 0.301 . . . . . . 574 LEU N . 17512 1 1163 . 1 1 113 113 ASN H H 1 8.38 0.021 . . . . . . 575 ASN H . 17512 1 1164 . 1 1 113 113 ASN HA H 1 4.26 0.021 . . . . . . 575 ASN HA . 17512 1 1165 . 1 1 113 113 ASN HB2 H 1 2.55 0.022 . . . . . . 575 ASN HB2 . 17512 1 1166 . 1 1 113 113 ASN HB3 H 1 2.77 0.022 . . . . . . 575 ASN HB3 . 17512 1 1167 . 1 1 113 113 ASN C C 13 176.07 0.301 . . . . . . 575 ASN CO . 17512 1 1168 . 1 1 113 113 ASN CA C 13 56.78 0.301 . . . . . . 575 ASN CA . 17512 1 1169 . 1 1 113 113 ASN CB C 13 38.78 0.301 . . . . . . 575 ASN CB . 17512 1 1170 . 1 1 113 113 ASN N N 15 117.92 0.301 . . . . . . 575 ASN N . 17512 1 1171 . 1 1 114 114 HIS H H 1 7.84 0.021 . . . . . . 576 HIS H . 17512 1 1172 . 1 1 114 114 HIS HA H 1 4.38 0.021 . . . . . . 576 HIS HA . 17512 1 1173 . 1 1 114 114 HIS HB2 H 1 3.06 0.022 . . . . . . 576 HIS HB2 . 17512 1 1174 . 1 1 114 114 HIS HB3 H 1 3.06 0.022 . . . . . . 576 HIS HB3 . 17512 1 1175 . 1 1 114 114 HIS C C 13 175.26 0.301 . . . . . . 576 HIS CO . 17512 1 1176 . 1 1 114 114 HIS CA C 13 61.27 0.301 . . . . . . 576 HIS CA . 17512 1 1177 . 1 1 114 114 HIS CB C 13 29.85 0.301 . . . . . . 576 HIS CB . 17512 1 1178 . 1 1 114 114 HIS N N 15 120.76 0.301 . . . . . . 576 HIS N . 17512 1 1179 . 1 1 115 115 LYS H H 1 8.18 0.021 . . . . . . 577 LYS H . 17512 1 1180 . 1 1 115 115 LYS HA H 1 3.62 0.021 . . . . . . 577 LYS HA . 17512 1 1181 . 1 1 115 115 LYS HB2 H 1 0.69 0.022 . . . . . . 577 LYS HB2 . 17512 1 1182 . 1 1 115 115 LYS HB3 H 1 1.94 0.022 . . . . . . 577 LYS HB3 . 17512 1 1183 . 1 1 115 115 LYS HG2 H 1 1.39 0.022 . . . . . . 577 LYS HG2 . 17512 1 1184 . 1 1 115 115 LYS HG3 H 1 1.39 0.022 . . . . . . 577 LYS HG3 . 17512 1 1185 . 1 1 115 115 LYS HD2 H 1 1.52 0.022 . . . . . . 577 LYS HD2 . 17512 1 1186 . 1 1 115 115 LYS HD3 H 1 1.52 0.022 . . . . . . 577 LYS HD3 . 17512 1 1187 . 1 1 115 115 LYS HE2 H 1 2.99 0.022 . . . . . . 577 LYS HE2 . 17512 1 1188 . 1 1 115 115 LYS HE3 H 1 2.99 0.022 . . . . . . 577 LYS HE3 . 17512 1 1189 . 1 1 115 115 LYS C C 13 176.85 0.301 . . . . . . 577 LYS CO . 17512 1 1190 . 1 1 115 115 LYS CA C 13 59.83 0.301 . . . . . . 577 LYS CA . 17512 1 1191 . 1 1 115 115 LYS CB C 13 29.69 0.301 . . . . . . 577 LYS CB . 17512 1 1192 . 1 1 115 115 LYS CG C 13 24.81 0.301 . . . . . . 577 LYS CG . 17512 1 1193 . 1 1 115 115 LYS CD C 13 26.72 0.301 . . . . . . 577 LYS CD . 17512 1 1194 . 1 1 115 115 LYS CE C 13 41.63 0.301 . . . . . . 577 LYS CE . 17512 1 1195 . 1 1 115 115 LYS N N 15 116.38 0.301 . . . . . . 577 LYS N . 17512 1 1196 . 1 1 116 116 LEU H H 1 8.43 0.021 . . . . . . 578 LEU H . 17512 1 1197 . 1 1 116 116 LEU HA H 1 4.04 0.021 . . . . . . 578 LEU HA . 17512 1 1198 . 1 1 116 116 LEU HB2 H 1 1.39 0.022 . . . . . . 578 LEU HB2 . 17512 1 1199 . 1 1 116 116 LEU HB3 H 1 2.05 0.022 . . . . . . 578 LEU HB3 . 17512 1 1200 . 1 1 116 116 LEU C C 13 176.66 0.301 . . . . . . 578 LEU CO . 17512 1 1201 . 1 1 116 116 LEU CA C 13 58.30 0.301 . . . . . . 578 LEU CA . 17512 1 1202 . 1 1 116 116 LEU CB C 13 41.73 0.301 . . . . . . 578 LEU CB . 17512 1 1203 . 1 1 116 116 LEU CG C 13 26.98 0.301 . . . . . . 578 LEU CG . 17512 1 1204 . 1 1 116 116 LEU CD1 C 13 24.50 0.302 . . . . . . 578 LEU CD1 . 17512 1 1205 . 1 1 116 116 LEU CD2 C 13 24.24 0.302 . . . . . . 578 LEU CD2 . 17512 1 1206 . 1 1 116 116 LEU N N 15 121.61 0.301 . . . . . . 578 LEU N . 17512 1 1207 . 1 1 117 117 ARG H H 1 8.16 0.021 . . . . . . 579 ARG H . 17512 1 1208 . 1 1 117 117 ARG HA H 1 3.91 0.021 . . . . . . 579 ARG HA . 17512 1 1209 . 1 1 117 117 ARG HB2 H 1 1.82 0.022 . . . . . . 579 ARG HB2 . 17512 1 1210 . 1 1 117 117 ARG HB3 H 1 1.90 0.022 . . . . . . 579 ARG HB3 . 17512 1 1211 . 1 1 117 117 ARG HG2 H 1 1.48 0.022 . . . . . . 579 ARG HG2 . 17512 1 1212 . 1 1 117 117 ARG HG3 H 1 1.74 0.022 . . . . . . 579 ARG HG3 . 17512 1 1213 . 1 1 117 117 ARG HD2 H 1 3.14 0.022 . . . . . . 579 ARG HD2 . 17512 1 1214 . 1 1 117 117 ARG HD3 H 1 3.14 0.022 . . . . . . 579 ARG HD3 . 17512 1 1215 . 1 1 117 117 ARG C C 13 177.03 0.301 . . . . . . 579 ARG CO . 17512 1 1216 . 1 1 117 117 ARG CA C 13 60.11 0.301 . . . . . . 579 ARG CA . 17512 1 1217 . 1 1 117 117 ARG CB C 13 29.73 0.301 . . . . . . 579 ARG CB . 17512 1 1218 . 1 1 117 117 ARG CG C 13 28.13 0.301 . . . . . . 579 ARG CG . 17512 1 1219 . 1 1 117 117 ARG CD C 13 43.49 0.301 . . . . . . 579 ARG CD . 17512 1 1220 . 1 1 117 117 ARG N N 15 122.56 0.301 . . . . . . 579 ARG N . 17512 1 1221 . 1 1 118 118 GLU H H 1 7.93 0.021 . . . . . . 580 GLU H . 17512 1 1222 . 1 1 118 118 GLU HA H 1 4.13 0.021 . . . . . . 580 GLU HA . 17512 1 1223 . 1 1 118 118 GLU HB2 H 1 2.01 0.022 . . . . . . 580 GLU HB2 . 17512 1 1224 . 1 1 118 118 GLU HB3 H 1 1.95 0.022 . . . . . . 580 GLU HB3 . 17512 1 1225 . 1 1 118 118 GLU HG2 H 1 2.33 0.022 . . . . . . 580 GLU HG2 . 17512 1 1226 . 1 1 118 118 GLU HG3 H 1 2.33 0.022 . . . . . . 580 GLU HG3 . 17512 1 1227 . 1 1 118 118 GLU C C 13 175.23 0.301 . . . . . . 580 GLU CO . 17512 1 1228 . 1 1 118 118 GLU CA C 13 58.86 0.301 . . . . . . 580 GLU CA . 17512 1 1229 . 1 1 118 118 GLU CB C 13 29.48 0.301 . . . . . . 580 GLU CB . 17512 1 1230 . 1 1 118 118 GLU CG C 13 36.27 0.301 . . . . . . 580 GLU CG . 17512 1 1231 . 1 1 118 118 GLU N N 15 120.88 0.301 . . . . . . 580 GLU N . 17512 1 1232 . 1 1 119 119 ALA H H 1 8.23 0.021 . . . . . . 581 ALA H . 17512 1 1233 . 1 1 119 119 ALA HA H 1 4.15 0.021 . . . . . . 581 ALA HA . 17512 1 1234 . 1 1 119 119 ALA HB1 H 1 1.58 0.021 . . . . . . 581 ALA HB# . 17512 1 1235 . 1 1 119 119 ALA HB2 H 1 1.58 0.021 . . . . . . 581 ALA HB# . 17512 1 1236 . 1 1 119 119 ALA HB3 H 1 1.58 0.021 . . . . . . 581 ALA HB# . 17512 1 1237 . 1 1 119 119 ALA C C 13 176.98 0.301 . . . . . . 581 ALA CO . 17512 1 1238 . 1 1 119 119 ALA CA C 13 54.97 0.301 . . . . . . 581 ALA CA . 17512 1 1239 . 1 1 119 119 ALA CB C 13 18.41 0.301 . . . . . . 581 ALA CB . 17512 1 1240 . 1 1 119 119 ALA N N 15 121.40 0.301 . . . . . . 581 ALA N . 17512 1 1241 . 1 1 120 120 THR H H 1 8.25 0.021 . . . . . . 582 THR H . 17512 1 1242 . 1 1 120 120 THR HA H 1 3.93 0.021 . . . . . . 582 THR HA . 17512 1 1243 . 1 1 120 120 THR HB H 1 4.27 0.021 . . . . . . 582 THR HB . 17512 1 1244 . 1 1 120 120 THR HG21 H 1 1.08 0.021 . . . . . . 582 THR HG2 . 17512 1 1245 . 1 1 120 120 THR HG22 H 1 1.08 0.021 . . . . . . 582 THR HG2 . 17512 1 1246 . 1 1 120 120 THR HG23 H 1 1.08 0.021 . . . . . . 582 THR HG2 . 17512 1 1247 . 1 1 120 120 THR C C 13 173.98 0.301 . . . . . . 582 THR CO . 17512 1 1248 . 1 1 120 120 THR CA C 13 66.18 0.301 . . . . . . 582 THR CA . 17512 1 1249 . 1 1 120 120 THR CB C 13 68.50 0.301 . . . . . . 582 THR CB . 17512 1 1250 . 1 1 120 120 THR CG2 C 13 21.08 0.301 . . . . . . 582 THR CG2 . 17512 1 1251 . 1 1 120 120 THR N N 15 115.40 0.301 . . . . . . 582 THR N . 17512 1 1252 . 1 1 121 121 ARG H H 1 8.09 0.021 . . . . . . 583 ARG H . 17512 1 1253 . 1 1 121 121 ARG HA H 1 3.95 0.021 . . . . . . 583 ARG HA . 17512 1 1254 . 1 1 121 121 ARG HB2 H 1 1.80 0.022 . . . . . . 583 ARG HB2 . 17512 1 1255 . 1 1 121 121 ARG HB3 H 1 1.97 0.022 . . . . . . 583 ARG HB3 . 17512 1 1256 . 1 1 121 121 ARG HG2 H 1 1.44 0.022 . . . . . . 583 ARG HG2 . 17512 1 1257 . 1 1 121 121 ARG HG3 H 1 1.58 0.022 . . . . . . 583 ARG HG3 . 17512 1 1258 . 1 1 121 121 ARG HD2 H 1 3.19 0.022 . . . . . . 583 ARG HD2 . 17512 1 1259 . 1 1 121 121 ARG HD3 H 1 3.19 0.022 . . . . . . 583 ARG HD3 . 17512 1 1260 . 1 1 121 121 ARG C C 13 175.89 0.301 . . . . . . 583 ARG CO . 17512 1 1261 . 1 1 121 121 ARG CA C 13 59.78 0.301 . . . . . . 583 ARG CA . 17512 1 1262 . 1 1 121 121 ARG CB C 13 30.41 0.301 . . . . . . 583 ARG CB . 17512 1 1263 . 1 1 121 121 ARG CG C 13 27.38 0.301 . . . . . . 583 ARG CG . 17512 1 1264 . 1 1 121 121 ARG CD C 13 43.20 0.301 . . . . . . 583 ARG CD . 17512 1 1265 . 1 1 121 121 ARG N N 15 124.63 0.301 . . . . . . 583 ARG N . 17512 1 1266 . 1 1 122 122 ILE H H 1 7.64 0.021 . . . . . . 584 ILE H . 17512 1 1267 . 1 1 122 122 ILE HA H 1 4.25 0.021 . . . . . . 584 ILE HA . 17512 1 1268 . 1 1 122 122 ILE HB H 1 2.05 0.021 . . . . . . 584 ILE HB . 17512 1 1269 . 1 1 122 122 ILE HG12 H 1 1.28 0.022 . . . . . . 584 ILE HG12 . 17512 1 1270 . 1 1 122 122 ILE HG13 H 1 1.47 0.022 . . . . . . 584 ILE HG13 . 17512 1 1271 . 1 1 122 122 ILE HG21 H 1 0.89 0.021 . . . . . . 584 ILE HG2# . 17512 1 1272 . 1 1 122 122 ILE HG22 H 1 0.89 0.021 . . . . . . 584 ILE HG2# . 17512 1 1273 . 1 1 122 122 ILE HG23 H 1 0.89 0.021 . . . . . . 584 ILE HG2# . 17512 1 1274 . 1 1 122 122 ILE HD11 H 1 0.83 0.021 . . . . . . 584 ILE HD1# . 17512 1 1275 . 1 1 122 122 ILE HD12 H 1 0.83 0.021 . . . . . . 584 ILE HD1# . 17512 1 1276 . 1 1 122 122 ILE HD13 H 1 0.83 0.021 . . . . . . 584 ILE HD1# . 17512 1 1277 . 1 1 122 122 ILE C C 13 174.27 0.301 . . . . . . 584 ILE CO . 17512 1 1278 . 1 1 122 122 ILE CA C 13 61.75 0.301 . . . . . . 584 ILE CA . 17512 1 1279 . 1 1 122 122 ILE CB C 13 38.58 0.301 . . . . . . 584 ILE CB . 17512 1 1280 . 1 1 122 122 ILE CG1 C 13 27.04 0.301 . . . . . . 584 ILE CG1 . 17512 1 1281 . 1 1 122 122 ILE CG2 C 13 17.63 0.301 . . . . . . 584 ILE CG2 . 17512 1 1282 . 1 1 122 122 ILE CD1 C 13 14.36 0.301 . . . . . . 584 ILE CD1 . 17512 1 1283 . 1 1 122 122 ILE N N 15 110.54 0.301 . . . . . . 584 ILE N . 17512 1 1284 . 1 1 123 123 GLY H H 1 7.55 0.021 . . . . . . 585 GLY H . 17512 1 1285 . 1 1 123 123 GLY HA2 H 1 3.86 0.022 . . . . . . 585 GLY HA2 . 17512 1 1286 . 1 1 123 123 GLY HA3 H 1 3.86 0.022 . . . . . . 585 GLY HA3 . 17512 1 1287 . 1 1 123 123 GLY C C 13 171.09 0.301 . . . . . . 585 GLY CO . 17512 1 1288 . 1 1 123 123 GLY CA C 13 46.27 0.301 . . . . . . 585 GLY CA . 17512 1 1289 . 1 1 123 123 GLY N N 15 110.39 0.301 . . . . . . 585 GLY N . 17512 1 1290 . 1 1 124 124 ASP H H 1 7.69 0.021 . . . . . . 586 ASP H . 17512 1 1291 . 1 1 124 124 ASP HA H 1 4.45 0.021 . . . . . . 586 ASP HA . 17512 1 1292 . 1 1 124 124 ASP HB2 H 1 2.55 0.022 . . . . . . 586 ASP HB2 . 17512 1 1293 . 1 1 124 124 ASP HB3 H 1 2.48 0.022 . . . . . . 586 ASP HB3 . 17512 1 1294 . 1 1 124 124 ASP C C 13 173.12 0.301 . . . . . . 586 ASP CO . 17512 1 1295 . 1 1 124 124 ASP CA C 13 53.07 0.301 . . . . . . 586 ASP CA . 17512 1 1296 . 1 1 124 124 ASP CB C 13 41.06 0.301 . . . . . . 586 ASP CB . 17512 1 1297 . 1 1 124 124 ASP N N 15 119.29 0.301 . . . . . . 586 ASP N . 17512 1 1298 . 1 1 125 125 VAL H H 1 8.14 0.021 . . . . . . 587 VAL H . 17512 1 1299 . 1 1 125 125 VAL HA H 1 4.03 0.021 . . . . . . 587 VAL HA . 17512 1 1300 . 1 1 125 125 VAL HB H 1 1.94 0.021 . . . . . . 587 VAL HB . 17512 1 1301 . 1 1 125 125 VAL HG11 H 1 0.86 0.022 . . . . . . 587 VAL HG1# . 17512 1 1302 . 1 1 125 125 VAL HG12 H 1 0.86 0.022 . . . . . . 587 VAL HG1# . 17512 1 1303 . 1 1 125 125 VAL HG13 H 1 0.86 0.022 . . . . . . 587 VAL HG1# . 17512 1 1304 . 1 1 125 125 VAL HG21 H 1 0.93 0.022 . . . . . . 587 VAL HG2# . 17512 1 1305 . 1 1 125 125 VAL HG22 H 1 0.93 0.022 . . . . . . 587 VAL HG2# . 17512 1 1306 . 1 1 125 125 VAL HG23 H 1 0.93 0.022 . . . . . . 587 VAL HG2# . 17512 1 1307 . 1 1 125 125 VAL C C 13 175.39 0.301 . . . . . . 587 VAL CO . 17512 1 1308 . 1 1 125 125 VAL CA C 13 65.82 0.301 . . . . . . 587 VAL CA . 17512 1 1309 . 1 1 125 125 VAL CB C 13 31.98 0.301 . . . . . . 587 VAL CB . 17512 1 1310 . 1 1 125 125 VAL CG1 C 13 20.91 0.302 . . . . . . 587 VAL CG1 . 17512 1 1311 . 1 1 125 125 VAL CG2 C 13 21.44 0.302 . . . . . . 587 VAL CG2 . 17512 1 1312 . 1 1 125 125 VAL N N 15 125.85 0.301 . . . . . . 587 VAL N . 17512 1 1313 . 1 1 126 126 GLU H H 1 8.17 0.021 . . . . . . 588 GLU H . 17512 1 1314 . 1 1 126 126 GLU HA H 1 4.00 0.021 . . . . . . 588 GLU HA . 17512 1 1315 . 1 1 126 126 GLU HB2 H 1 2.00 0.022 . . . . . . 588 GLU HB2 . 17512 1 1316 . 1 1 126 126 GLU HB3 H 1 2.00 0.022 . . . . . . 588 GLU HB3 . 17512 1 1317 . 1 1 126 126 GLU HG2 H 1 2.21 0.022 . . . . . . 588 GLU HG2 . 17512 1 1318 . 1 1 126 126 GLU HG3 H 1 2.30 0.022 . . . . . . 588 GLU HG3 . 17512 1 1319 . 1 1 126 126 GLU C C 13 177.19 0.301 . . . . . . 588 GLU CO . 17512 1 1320 . 1 1 126 126 GLU CA C 13 59.36 0.301 . . . . . . 588 GLU CA . 17512 1 1321 . 1 1 126 126 GLU CB C 13 28.84 0.301 . . . . . . 588 GLU CB . 17512 1 1322 . 1 1 126 126 GLU CG C 13 36.56 0.301 . . . . . . 588 GLU CG . 17512 1 1323 . 1 1 126 126 GLU N N 15 120.31 0.301 . . . . . . 588 GLU N . 17512 1 1324 . 1 1 127 127 LEU H H 1 8.04 0.021 . . . . . . 589 LEU H . 17512 1 1325 . 1 1 127 127 LEU HA H 1 4.04 0.021 . . . . . . 589 LEU HA . 17512 1 1326 . 1 1 127 127 LEU HB2 H 1 1.55 0.022 . . . . . . 589 LEU HB2 . 17512 1 1327 . 1 1 127 127 LEU HB3 H 1 1.55 0.022 . . . . . . 589 LEU HB3 . 17512 1 1328 . 1 1 127 127 LEU HG H 1 1.55 0.021 . . . . . . 589 LEU HG . 17512 1 1329 . 1 1 127 127 LEU HD11 H 1 0.76 0.022 . . . . . . 589 LEU HD1# . 17512 1 1330 . 1 1 127 127 LEU HD12 H 1 0.76 0.022 . . . . . . 589 LEU HD1# . 17512 1 1331 . 1 1 127 127 LEU HD13 H 1 0.76 0.022 . . . . . . 589 LEU HD1# . 17512 1 1332 . 1 1 127 127 LEU HD21 H 1 0.76 0.022 . . . . . . 589 LEU HD2# . 17512 1 1333 . 1 1 127 127 LEU HD22 H 1 0.76 0.022 . . . . . . 589 LEU HD2# . 17512 1 1334 . 1 1 127 127 LEU HD23 H 1 0.76 0.022 . . . . . . 589 LEU HD2# . 17512 1 1335 . 1 1 127 127 LEU C C 13 176.08 0.301 . . . . . . 589 LEU CO . 17512 1 1336 . 1 1 127 127 LEU CA C 13 56.91 0.301 . . . . . . 589 LEU CA . 17512 1 1337 . 1 1 127 127 LEU CB C 13 42.10 0.301 . . . . . . 589 LEU CB . 17512 1 1338 . 1 1 127 127 LEU CG C 13 26.70 0.301 . . . . . . 589 LEU CG . 17512 1 1339 . 1 1 127 127 LEU CD1 C 13 23.96 0.302 . . . . . . 589 LEU CD1 . 17512 1 1340 . 1 1 127 127 LEU CD2 C 13 24.40 0.302 . . . . . . 589 LEU CD2 . 17512 1 1341 . 1 1 127 127 LEU N N 15 122.25 0.301 . . . . . . 589 LEU N . 17512 1 1342 . 1 1 128 128 GLN H H 1 8.21 0.021 . . . . . . 590 GLN H . 17512 1 1343 . 1 1 128 128 GLN HA H 1 3.79 0.021 . . . . . . 590 GLN HA . 17512 1 1344 . 1 1 128 128 GLN HB2 H 1 2.02 0.022 . . . . . . 590 GLN HB2 . 17512 1 1345 . 1 1 128 128 GLN HB3 H 1 2.02 0.022 . . . . . . 590 GLN HB3 . 17512 1 1346 . 1 1 128 128 GLN HG2 H 1 2.46 0.022 . . . . . . 590 GLN HG2 . 17512 1 1347 . 1 1 128 128 GLN HG3 H 1 2.51 0.022 . . . . . . 590 GLN HG3 . 17512 1 1348 . 1 1 128 128 GLN C C 13 174.92 0.301 . . . . . . 590 GLN CO . 17512 1 1349 . 1 1 128 128 GLN CA C 13 59.87 0.301 . . . . . . 590 GLN CA . 17512 1 1350 . 1 1 128 128 GLN CB C 13 28.92 0.301 . . . . . . 590 GLN CB . 17512 1 1351 . 1 1 128 128 GLN CG C 13 34.50 0.301 . . . . . . 590 GLN CG . 17512 1 1352 . 1 1 128 128 GLN N N 15 118.39 0.301 . . . . . . 590 GLN N . 17512 1 1353 . 1 1 129 129 LYS H H 1 7.77 0.021 . . . . . . 591 LYS H . 17512 1 1354 . 1 1 129 129 LYS HA H 1 3.85 0.021 . . . . . . 591 LYS HA . 17512 1 1355 . 1 1 129 129 LYS HB2 H 1 2.12 0.022 . . . . . . 591 LYS HB2 . 17512 1 1356 . 1 1 129 129 LYS HB3 H 1 2.07 0.022 . . . . . . 591 LYS HB3 . 17512 1 1357 . 1 1 129 129 LYS HG2 H 1 0.99 0.022 . . . . . . 591 LYS HG2 . 17512 1 1358 . 1 1 129 129 LYS HG3 H 1 0.99 0.022 . . . . . . 591 LYS HG3 . 17512 1 1359 . 1 1 129 129 LYS C C 13 175.99 0.301 . . . . . . 591 LYS CO . 17512 1 1360 . 1 1 129 129 LYS CA C 13 60.03 0.301 . . . . . . 591 LYS CA . 17512 1 1361 . 1 1 129 129 LYS CB C 13 32.47 0.301 . . . . . . 591 LYS CB . 17512 1 1362 . 1 1 129 129 LYS CG C 13 25.41 0.301 . . . . . . 591 LYS CG . 17512 1 1363 . 1 1 129 129 LYS CD C 13 29.63 0.301 . . . . . . 591 LYS CD . 17512 1 1364 . 1 1 129 129 LYS CE C 13 38.70 0.301 . . . . . . 591 LYS CE . 17512 1 1365 . 1 1 129 129 LYS N N 15 117.21 0.301 . . . . . . 591 LYS N . 17512 1 1366 . 1 1 130 130 TYR H H 1 7.71 0.021 . . . . . . 592 TYR H . 17512 1 1367 . 1 1 130 130 TYR HA H 1 4.09 0.021 . . . . . . 592 TYR HA . 17512 1 1368 . 1 1 130 130 TYR HB2 H 1 2.76 0.022 . . . . . . 592 TYR HB2 . 17512 1 1369 . 1 1 130 130 TYR HB3 H 1 2.96 0.022 . . . . . . 592 TYR HB3 . 17512 1 1370 . 1 1 130 130 TYR HD1 H 1 6.33 0.023 . . . . . . 592 TYR HD1 . 17512 1 1371 . 1 1 130 130 TYR HE1 H 1 6.49 0.023 . . . . . . 592 TYR HE1 . 17512 1 1372 . 1 1 130 130 TYR C C 13 176.49 0.301 . . . . . . 592 TYR CO . 17512 1 1373 . 1 1 130 130 TYR CA C 13 61.25 0.301 . . . . . . 592 TYR CA . 17512 1 1374 . 1 1 130 130 TYR CB C 13 38.22 0.301 . . . . . . 592 TYR CB . 17512 1 1375 . 1 1 130 130 TYR CD1 C 13 132.38 0.303 . . . . . . 592 TYR CD1 . 17512 1 1376 . 1 1 130 130 TYR CE1 C 13 117.49 0.303 . . . . . . 592 TYR CE1 . 17512 1 1377 . 1 1 130 130 TYR N N 15 120.11 0.301 . . . . . . 592 TYR N . 17512 1 1378 . 1 1 131 131 TYR H H 1 8.33 0.021 . . . . . . 593 TYR H . 17512 1 1379 . 1 1 131 131 TYR HA H 1 4.08 0.021 . . . . . . 593 TYR HA . 17512 1 1380 . 1 1 131 131 TYR HB2 H 1 2.68 0.022 . . . . . . 593 TYR HB2 . 17512 1 1381 . 1 1 131 131 TYR HB3 H 1 2.95 0.022 . . . . . . 593 TYR HB3 . 17512 1 1382 . 1 1 131 131 TYR HD1 H 1 6.84 0.023 . . . . . . 593 TYR HD1 . 17512 1 1383 . 1 1 131 131 TYR HE1 H 1 6.84 0.023 . . . . . . 593 TYR HE1 . 17512 1 1384 . 1 1 131 131 TYR C C 13 175.60 0.301 . . . . . . 593 TYR CO . 17512 1 1385 . 1 1 131 131 TYR CA C 13 62.58 0.301 . . . . . . 593 TYR CA . 17512 1 1386 . 1 1 131 131 TYR CB C 13 38.10 0.301 . . . . . . 593 TYR CB . 17512 1 1387 . 1 1 131 131 TYR CD1 C 13 132.73 0.303 . . . . . . 593 TYR CD1 . 17512 1 1388 . 1 1 131 131 TYR CE1 C 13 117.27 0.303 . . . . . . 593 TYR CE1 . 17512 1 1389 . 1 1 131 131 TYR N N 15 117.90 0.301 . . . . . . 593 TYR N . 17512 1 1390 . 1 1 132 132 LEU H H 1 8.60 0.021 . . . . . . 594 LEU H . 17512 1 1391 . 1 1 132 132 LEU HA H 1 4.01 0.021 . . . . . . 594 LEU HA . 17512 1 1392 . 1 1 132 132 LEU HB2 H 1 1.39 0.022 . . . . . . 594 LEU HB2 . 17512 1 1393 . 1 1 132 132 LEU HB3 H 1 1.57 0.022 . . . . . . 594 LEU HB3 . 17512 1 1394 . 1 1 132 132 LEU HG H 1 1.73 0.021 . . . . . . 594 LEU HG . 17512 1 1395 . 1 1 132 132 LEU HD11 H 1 0.78 0.022 . . . . . . 594 LEU HD1# . 17512 1 1396 . 1 1 132 132 LEU HD12 H 1 0.78 0.022 . . . . . . 594 LEU HD1# . 17512 1 1397 . 1 1 132 132 LEU HD13 H 1 0.78 0.022 . . . . . . 594 LEU HD1# . 17512 1 1398 . 1 1 132 132 LEU HD21 H 1 0.78 0.022 . . . . . . 594 LEU HD2# . 17512 1 1399 . 1 1 132 132 LEU HD22 H 1 0.78 0.022 . . . . . . 594 LEU HD2# . 17512 1 1400 . 1 1 132 132 LEU HD23 H 1 0.78 0.022 . . . . . . 594 LEU HD2# . 17512 1 1401 . 1 1 132 132 LEU C C 13 176.42 0.301 . . . . . . 594 LEU CO . 17512 1 1402 . 1 1 132 132 LEU CA C 13 58.80 0.301 . . . . . . 594 LEU CA . 17512 1 1403 . 1 1 132 132 LEU CB C 13 41.78 0.301 . . . . . . 594 LEU CB . 17512 1 1404 . 1 1 132 132 LEU CG C 13 26.87 0.301 . . . . . . 594 LEU CG . 17512 1 1405 . 1 1 132 132 LEU CD1 C 13 24.60 0.302 . . . . . . 594 LEU CD1 . 17512 1 1406 . 1 1 132 132 LEU CD2 C 13 24.28 0.302 . . . . . . 594 LEU CD2 . 17512 1 1407 . 1 1 132 132 LEU N N 15 120.56 0.301 . . . . . . 594 LEU N . 17512 1 1408 . 1 1 133 133 GLN H H 1 7.82 0.021 . . . . . . 595 GLN H . 17512 1 1409 . 1 1 133 133 GLN HA H 1 3.91 0.021 . . . . . . 595 GLN HA . 17512 1 1410 . 1 1 133 133 GLN HB2 H 1 2.04 0.022 . . . . . . 595 GLN HB2 . 17512 1 1411 . 1 1 133 133 GLN HB3 H 1 2.05 0.022 . . . . . . 595 GLN HB3 . 17512 1 1412 . 1 1 133 133 GLN HG2 H 1 2.31 0.022 . . . . . . 595 GLN HG2 . 17512 1 1413 . 1 1 133 133 GLN HG3 H 1 2.31 0.022 . . . . . . 595 GLN HG3 . 17512 1 1414 . 1 1 133 133 GLN C C 13 176.43 0.301 . . . . . . 595 GLN CO . 17512 1 1415 . 1 1 133 133 GLN CA C 13 58.80 0.301 . . . . . . 595 GLN CA . 17512 1 1416 . 1 1 133 133 GLN CB C 13 27.98 0.301 . . . . . . 595 GLN CB . 17512 1 1417 . 1 1 133 133 GLN CG C 13 34.09 0.301 . . . . . . 595 GLN CG . 17512 1 1418 . 1 1 133 133 GLN N N 15 116.96 0.301 . . . . . . 595 GLN N . 17512 1 1419 . 1 1 134 134 GLN H H 1 7.61 0.021 . . . . . . 596 GLN H . 17512 1 1420 . 1 1 134 134 GLN HA H 1 3.88 0.021 . . . . . . 596 GLN HA . 17512 1 1421 . 1 1 134 134 GLN HB2 H 1 2.09 0.022 . . . . . . 596 GLN HB2 . 17512 1 1422 . 1 1 134 134 GLN HB3 H 1 2.09 0.022 . . . . . . 596 GLN HB3 . 17512 1 1423 . 1 1 134 134 GLN C C 13 175.72 0.301 . . . . . . 596 GLN CO . 17512 1 1424 . 1 1 134 134 GLN CA C 13 58.20 0.301 . . . . . . 596 GLN CA . 17512 1 1425 . 1 1 134 134 GLN CB C 13 29.63 0.301 . . . . . . 596 GLN CB . 17512 1 1426 . 1 1 134 134 GLN CG C 13 33.80 0.301 . . . . . . 596 GLN CG . 17512 1 1427 . 1 1 134 134 GLN N N 15 118.19 0.301 . . . . . . 596 GLN N . 17512 1 1428 . 1 1 135 135 ILE H H 1 8.17 0.021 . . . . . . 597 ILE H . 17512 1 1429 . 1 1 135 135 ILE HA H 1 3.37 0.021 . . . . . . 597 ILE HA . 17512 1 1430 . 1 1 135 135 ILE HB H 1 1.87 0.021 . . . . . . 597 ILE HB . 17512 1 1431 . 1 1 135 135 ILE HG12 H 1 1.77 0.022 . . . . . . 597 ILE HG12 . 17512 1 1432 . 1 1 135 135 ILE HG13 H 1 1.77 0.022 . . . . . . 597 ILE HG13 . 17512 1 1433 . 1 1 135 135 ILE HG21 H 1 0.79 0.021 . . . . . . 597 ILE HG2# . 17512 1 1434 . 1 1 135 135 ILE HG22 H 1 0.79 0.021 . . . . . . 597 ILE HG2# . 17512 1 1435 . 1 1 135 135 ILE HG23 H 1 0.79 0.021 . . . . . . 597 ILE HG2# . 17512 1 1436 . 1 1 135 135 ILE HD11 H 1 0.66 0.021 . . . . . . 597 ILE HD1# . 17512 1 1437 . 1 1 135 135 ILE HD12 H 1 0.66 0.021 . . . . . . 597 ILE HD1# . 17512 1 1438 . 1 1 135 135 ILE HD13 H 1 0.66 0.021 . . . . . . 597 ILE HD1# . 17512 1 1439 . 1 1 135 135 ILE C C 13 175.15 0.301 . . . . . . 597 ILE CO . 17512 1 1440 . 1 1 135 135 ILE CA C 13 66.16 0.301 . . . . . . 597 ILE CA . 17512 1 1441 . 1 1 135 135 ILE CB C 13 38.88 0.301 . . . . . . 597 ILE CB . 17512 1 1442 . 1 1 135 135 ILE CG1 C 13 26.90 0.301 . . . . . . 597 ILE CG1 . 17512 1 1443 . 1 1 135 135 ILE CG2 C 13 17.24 0.301 . . . . . . 597 ILE CG2 . 17512 1 1444 . 1 1 135 135 ILE CD1 C 13 14.54 0.301 . . . . . . 597 ILE CD1 . 17512 1 1445 . 1 1 135 135 ILE N N 15 122.17 0.301 . . . . . . 597 ILE N . 17512 1 1446 . 1 1 136 136 VAL H H 1 8.03 0.021 . . . . . . 598 VAL H . 17512 1 1447 . 1 1 136 136 VAL HA H 1 3.62 0.021 . . . . . . 598 VAL HA . 17512 1 1448 . 1 1 136 136 VAL HB H 1 2.00 0.021 . . . . . . 598 VAL HB . 17512 1 1449 . 1 1 136 136 VAL HG11 H 1 0.93 0.022 . . . . . . 598 VAL HG1# . 17512 1 1450 . 1 1 136 136 VAL HG12 H 1 0.93 0.022 . . . . . . 598 VAL HG1# . 17512 1 1451 . 1 1 136 136 VAL HG13 H 1 0.93 0.022 . . . . . . 598 VAL HG1# . 17512 1 1452 . 1 1 136 136 VAL HG21 H 1 0.93 0.022 . . . . . . 598 VAL HG2# . 17512 1 1453 . 1 1 136 136 VAL HG22 H 1 0.93 0.022 . . . . . . 598 VAL HG2# . 17512 1 1454 . 1 1 136 136 VAL HG23 H 1 0.93 0.022 . . . . . . 598 VAL HG2# . 17512 1 1455 . 1 1 136 136 VAL C C 13 176.07 0.301 . . . . . . 598 VAL CO . 17512 1 1456 . 1 1 136 136 VAL CA C 13 66.16 0.301 . . . . . . 598 VAL CA . 17512 1 1457 . 1 1 136 136 VAL CB C 13 31.75 0.301 . . . . . . 598 VAL CB . 17512 1 1458 . 1 1 136 136 VAL CG1 C 13 22.60 0.302 . . . . . . 598 VAL CG1 . 17512 1 1459 . 1 1 136 136 VAL CG2 C 13 21.29 0.302 . . . . . . 598 VAL CG2 . 17512 1 1460 . 1 1 136 136 VAL N N 15 119.88 0.301 . . . . . . 598 VAL N . 17512 1 1461 . 1 1 137 137 ALA H H 1 7.60 0.021 . . . . . . 599 ALA H . 17512 1 1462 . 1 1 137 137 ALA HA H 1 4.03 0.021 . . . . . . 599 ALA HA . 17512 1 1463 . 1 1 137 137 ALA HB1 H 1 1.37 0.021 . . . . . . 599 ALA HB# . 17512 1 1464 . 1 1 137 137 ALA HB2 H 1 1.37 0.021 . . . . . . 599 ALA HB# . 17512 1 1465 . 1 1 137 137 ALA HB3 H 1 1.37 0.021 . . . . . . 599 ALA HB# . 17512 1 1466 . 1 1 137 137 ALA C C 13 177.31 0.301 . . . . . . 599 ALA CO . 17512 1 1467 . 1 1 137 137 ALA CA C 13 54.69 0.301 . . . . . . 599 ALA CA . 17512 1 1468 . 1 1 137 137 ALA CB C 13 18.34 0.301 . . . . . . 599 ALA CB . 17512 1 1469 . 1 1 137 137 ALA N N 15 120.74 0.301 . . . . . . 599 ALA N . 17512 1 1470 . 1 1 138 138 LYS H H 1 7.83 0.021 . . . . . . 600 LYS H . 17512 1 1471 . 1 1 138 138 LYS HA H 1 4.08 0.021 . . . . . . 600 LYS HA . 17512 1 1472 . 1 1 138 138 LYS HB2 H 1 1.78 0.022 . . . . . . 600 LYS HB2 . 17512 1 1473 . 1 1 138 138 LYS HB3 H 1 1.78 0.022 . . . . . . 600 LYS HB3 . 17512 1 1474 . 1 1 138 138 LYS HG2 H 1 1.39 0.022 . . . . . . 600 LYS HG2 . 17512 1 1475 . 1 1 138 138 LYS HG3 H 1 1.39 0.022 . . . . . . 600 LYS HG3 . 17512 1 1476 . 1 1 138 138 LYS HD2 H 1 1.58 0.022 . . . . . . 600 LYS HD2 . 17512 1 1477 . 1 1 138 138 LYS HD3 H 1 1.58 0.022 . . . . . . 600 LYS HD3 . 17512 1 1478 . 1 1 138 138 LYS HE2 H 1 2.78 0.022 . . . . . . 600 LYS HE2 . 17512 1 1479 . 1 1 138 138 LYS HE3 H 1 2.78 0.022 . . . . . . 600 LYS HE3 . 17512 1 1480 . 1 1 138 138 LYS C C 13 175.64 0.301 . . . . . . 600 LYS CO . 17512 1 1481 . 1 1 138 138 LYS CA C 13 57.47 0.301 . . . . . . 600 LYS CA . 17512 1 1482 . 1 1 138 138 LYS CB C 13 31.96 0.301 . . . . . . 600 LYS CB . 17512 1 1483 . 1 1 138 138 LYS CG C 13 24.92 0.301 . . . . . . 600 LYS CG . 17512 1 1484 . 1 1 138 138 LYS CD C 13 28.42 0.301 . . . . . . 600 LYS CD . 17512 1 1485 . 1 1 138 138 LYS CE C 13 41.32 0.301 . . . . . . 600 LYS CE . 17512 1 1486 . 1 1 138 138 LYS N N 15 118.14 0.301 . . . . . . 600 LYS N . 17512 1 1487 . 1 1 139 139 ASN H H 1 8.08 0.021 . . . . . . 601 ASN H . 17512 1 1488 . 1 1 139 139 ASN HA H 1 4.53 0.021 . . . . . . 601 ASN HA . 17512 1 1489 . 1 1 139 139 ASN HB2 H 1 2.75 0.022 . . . . . . 601 ASN HB2 . 17512 1 1490 . 1 1 139 139 ASN HB3 H 1 2.75 0.022 . . . . . . 601 ASN HB3 . 17512 1 1491 . 1 1 139 139 ASN C C 13 173.70 0.301 . . . . . . 601 ASN CO . 17512 1 1492 . 1 1 139 139 ASN CA C 13 54.60 0.301 . . . . . . 601 ASN CA . 17512 1 1493 . 1 1 139 139 ASN CB C 13 38.83 0.301 . . . . . . 601 ASN CB . 17512 1 1494 . 1 1 139 139 ASN N N 15 117.89 0.301 . . . . . . 601 ASN N . 17512 1 1495 . 1 1 140 140 LYS H H 1 7.78 0.021 . . . . . . 602 LYS H . 17512 1 1496 . 1 1 140 140 LYS HA H 1 4.16 0.021 . . . . . . 602 LYS HA . 17512 1 1497 . 1 1 140 140 LYS HB2 H 1 1.80 0.022 . . . . . . 602 LYS HB2 . 17512 1 1498 . 1 1 140 140 LYS HB3 H 1 1.80 0.022 . . . . . . 602 LYS HB3 . 17512 1 1499 . 1 1 140 140 LYS HG2 H 1 1.47 0.022 . . . . . . 602 LYS HG2 . 17512 1 1500 . 1 1 140 140 LYS HG3 H 1 1.38 0.022 . . . . . . 602 LYS HG3 . 17512 1 1501 . 1 1 140 140 LYS HD2 H 1 1.55 0.022 . . . . . . 602 LYS HD2 . 17512 1 1502 . 1 1 140 140 LYS HD3 H 1 1.55 0.022 . . . . . . 602 LYS HD3 . 17512 1 1503 . 1 1 140 140 LYS HE2 H 1 2.80 0.022 . . . . . . 602 LYS HE2 . 17512 1 1504 . 1 1 140 140 LYS HE3 H 1 2.80 0.022 . . . . . . 602 LYS HE3 . 17512 1 1505 . 1 1 140 140 LYS C C 13 174.40 0.301 . . . . . . 602 LYS CO . 17512 1 1506 . 1 1 140 140 LYS CA C 13 57.51 0.301 . . . . . . 602 LYS CA . 17512 1 1507 . 1 1 140 140 LYS CB C 13 31.32 0.301 . . . . . . 602 LYS CB . 17512 1 1508 . 1 1 140 140 LYS CG C 13 25.02 0.301 . . . . . . 602 LYS CG . 17512 1 1509 . 1 1 140 140 LYS CD C 13 29.26 0.301 . . . . . . 602 LYS CD . 17512 1 1510 . 1 1 140 140 LYS CE C 13 42.10 0.301 . . . . . . 602 LYS CE . 17512 1 1511 . 1 1 140 140 LYS N N 15 119.92 0.301 . . . . . . 602 LYS N . 17512 1 1512 . 1 1 141 141 GLU H H 1 7.84 0.021 . . . . . . 603 GLU H . 17512 1 1513 . 1 1 141 141 GLU HA H 1 4.17 0.021 . . . . . . 603 GLU HA . 17512 1 1514 . 1 1 141 141 GLU HB2 H 1 2.01 0.022 . . . . . . 603 GLU HB2 . 17512 1 1515 . 1 1 141 141 GLU HB3 H 1 1.97 0.022 . . . . . . 603 GLU HB3 . 17512 1 1516 . 1 1 141 141 GLU HG2 H 1 2.27 0.022 . . . . . . 603 GLU HG2 . 17512 1 1517 . 1 1 141 141 GLU HG3 H 1 2.27 0.022 . . . . . . 603 GLU HG3 . 17512 1 1518 . 1 1 141 141 GLU C C 13 175.02 0.301 . . . . . . 603 GLU CO . 17512 1 1519 . 1 1 141 141 GLU CA C 13 57.14 0.301 . . . . . . 603 GLU CA . 17512 1 1520 . 1 1 141 141 GLU CB C 13 30.18 0.301 . . . . . . 603 GLU CB . 17512 1 1521 . 1 1 141 141 GLU CG C 13 36.54 0.301 . . . . . . 603 GLU CG . 17512 1 1522 . 1 1 141 141 GLU N N 15 119.60 0.301 . . . . . . 603 GLU N . 17512 1 1523 . 1 1 142 142 ARG H H 1 7.90 0.021 . . . . . . 604 ARG H . 17512 1 1524 . 1 1 142 142 ARG HA H 1 4.30 0.021 . . . . . . 604 ARG HA . 17512 1 1525 . 1 1 142 142 ARG HB2 H 1 1.69 0.022 . . . . . . 604 ARG HB2 . 17512 1 1526 . 1 1 142 142 ARG HB3 H 1 1.82 0.022 . . . . . . 604 ARG HB3 . 17512 1 1527 . 1 1 142 142 ARG HG2 H 1 1.56 0.022 . . . . . . 604 ARG HG2 . 17512 1 1528 . 1 1 142 142 ARG HG3 H 1 1.56 0.022 . . . . . . 604 ARG HG3 . 17512 1 1529 . 1 1 142 142 ARG HD2 H 1 3.10 0.022 . . . . . . 604 ARG HD2 . 17512 1 1530 . 1 1 142 142 ARG HD3 H 1 3.10 0.022 . . . . . . 604 ARG HD3 . 17512 1 1531 . 1 1 142 142 ARG C C 13 172.60 0.301 . . . . . . 604 ARG CO . 17512 1 1532 . 1 1 142 142 ARG CA C 13 56.08 0.301 . . . . . . 604 ARG CA . 17512 1 1533 . 1 1 142 142 ARG CB C 13 30.77 0.301 . . . . . . 604 ARG CB . 17512 1 1534 . 1 1 142 142 ARG CG C 13 27.10 0.301 . . . . . . 604 ARG CG . 17512 1 1535 . 1 1 142 142 ARG CD C 13 43.32 0.301 . . . . . . 604 ARG CD . 17512 1 1536 . 1 1 142 142 ARG N N 15 120.13 0.301 . . . . . . 604 ARG N . 17512 1 1537 . 1 1 143 143 MET H H 1 7.80 0.021 . . . . . . 605 MET H . 17512 1 1538 . 1 1 143 143 MET HA H 1 4.16 0.021 . . . . . . 605 MET HA . 17512 1 1539 . 1 1 143 143 MET HB2 H 1 1.87 0.022 . . . . . . 605 MET HB2 . 17512 1 1540 . 1 1 143 143 MET HB3 H 1 1.99 0.022 . . . . . . 605 MET HB3 . 17512 1 1541 . 1 1 143 143 MET HG2 H 1 2.43 0.022 . . . . . . 605 MET HG2 . 17512 1 1542 . 1 1 143 143 MET HG3 H 1 2.43 0.022 . . . . . . 605 MET HG3 . 17512 1 1543 . 1 1 143 143 MET HE1 H 1 0.69 0.022 . . . . . . 605 MET HE2 . 17512 1 1544 . 1 1 143 143 MET HE2 H 1 0.69 0.022 . . . . . . 605 MET HE2 . 17512 1 1545 . 1 1 143 143 MET HE3 H 1 0.69 0.022 . . . . . . 605 MET HE3 . 17512 1 1546 . 1 1 143 143 MET CA C 13 57.28 0.301 . . . . . . 605 MET CA . 17512 1 1547 . 1 1 143 143 MET CB C 13 33.99 0.301 . . . . . . 605 MET CB . 17512 1 1548 . 1 1 143 143 MET CE C 13 13.06 0.301 . . . . . . 605 MET CE . 17512 1 1549 . 1 1 143 143 MET N N 15 126.57 0.301 . . . . . . 605 MET N . 17512 1 stop_ save_