data_25425 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25425 _Entry.Title ; Backbone and side-chain 13C, 15N resonance assignments of artificially disordered FAS 1-4 A546T domain of TGFBIp dissolved in 95 % of DMSO in presence of water ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-12 _Entry.Accession_date 2015-01-12 _Entry.Last_release_date 2015-04-16 _Entry.Original_release_date 2015-04-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; we report complete backbone and aliphatic side chain 13C and 15N resonance assignments of FAS1-4 A546T at pH 2.9 and 25 C in its unfolded state ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Natalia Kulminskaya . V. . . 25425 2 Yuichi Yoshimura . . . . 25425 3 Kasper Runager . S. . . 25425 4 Charlotte Sorensen . . . . 25425 5 Morten Bjerring . . . . 25425 6 Frans Mulder . . . . 25425 7 Niels Nielsen . Chr. . . 25425 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Aarhus University, iNano, Aarhus, Denmark' . 25425 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25425 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 540 25425 '15N chemical shifts' 148 25425 '1H chemical shifts' 148 25425 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-30 2015-01-12 update BMRB 'update entry citation' 25425 1 . . 2015-04-16 2015-01-12 original author 'original release' 25425 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 25425 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; cDNA from human ocular ciliary epithelium homologous to beta ig-h3 is preferentially expressed as an extracellular protein in the corneal epithelium. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Cell Physiol.' _Citation.Journal_name_full . _Citation.Journal_volume 160 _Citation.Journal_issue 3 _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 511 _Citation.Page_last 521 _Citation.Year 1994 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Escribano . . . . 25425 1 stop_ save_ save_2 _Citation.Sf_category citations _Citation.Sf_framecode 2 _Citation.Entry_ID 25425 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Polymorphic fibrillation of the destabilised fourth fascilin-1 domain mutant A546T of the Transforming growth factor-beta-induced protein (TGFBIp) occurs through multiple pathways with different oligomeric intermediates ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 41 _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 34730 _Citation.Page_last 34742 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maria Andreasen . . . . 25425 2 stop_ save_ save_3 _Citation.Sf_category citations _Citation.Sf_framecode 3 _Citation.Entry_ID 25425 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A new mutation (A546T) of the betaig-h3 gene responsible for a French lattice corneal dystrophy type ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'American J. Ophthalmology' _Citation.Journal_name_full . _Citation.Journal_volume 129 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 248 _Citation.Page_last 251 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Dighiero . . . . 25425 3 stop_ save_ save_4 _Citation.Sf_category citations _Citation.Sf_framecode 4 _Citation.Entry_ID 25425 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Focus on molecules: Transforming growth factor beta induced protein (TGFBIp) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Exp. Eye Res.' _Citation.Journal_name_full . _Citation.Journal_volume 87 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 298 _Citation.Page_last 299 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kasper Runager . S. . . 25425 4 stop_ save_ save_5 _Citation.Sf_category citations _Citation.Sf_framecode 5 _Citation.Entry_ID 25425 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Purification and structural characterisation of transforming growth factor beta induced protein (TGFBIp) from porcine and human corneas ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 51 _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 16374 _Citation.Page_last 16384 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R.B. Andersen . . . . 25425 5 stop_ save_ save_6 _Citation.Sf_category citations _Citation.Sf_framecode 6 _Citation.Entry_ID 25425 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Human phenotypically distinct TGFBI corneal dystrophies are linked to the stability of the fourth FAS1-4 domain of TGFBIp ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 286 _Citation.Journal_issue 7 _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 4951 _Citation.Page_last 4958 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kasper Runager . . . . 25425 6 stop_ save_ save_7 _Citation.Sf_category citations _Citation.Sf_framecode 7 _Citation.Entry_ID 25425 _Citation.ID 7 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26275916 _Citation.Full_citation . _Citation.Title ; Near-complete 1H, 13C, 15N resonance assignments of dimethylsulfoxide-denatured TGFBIp FAS1-4 A546T ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 25 _Citation.Page_last 29 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Natalia Kulminskaya . V. . . 25425 7 2 Yuichi Yoshimura . . . . 25425 7 3 Kasper Runager . . . . 25425 7 4 Charlotte Sorensen . S. . . 25425 7 5 Morten Bjerring . . . . 25425 7 6 Maria Andreasen . . . . 25425 7 7 Daniel Otzen . E. . . 25425 7 8 Jan Enghild . J. . . 25425 7 9 Niels Nielsen . C. . . 25425 7 10 Frans Mulder . A.A. . . 25425 7 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25425 _Assembly.ID 1 _Assembly.Name 'transforming growth factor beta induced protein (TGFBIp)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fourth fascilin domain (FAS1-4)' 1 $FAS1-4_domain_of_TGFBIp A . yes denatured no no . . . 25425 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAS1-4_domain_of_TGFBIp _Entity.Sf_category entity _Entity.Sf_framecode FAS1-4_domain_of_TGFBIp _Entity.Entry_ID 25425 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAS1-4_domain_of_TGFBIp _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGMGTVMDVLKGDNRFSMLV AAIQSAGLTETLNREGVYTV FAPTNETFRALPPRERSRLL GDAKELANILKYHIGDEILV SGGIGALVRLKSLQGDKLEV SLKNNVVSVNKEPVAEPDIM ATNGVVHVITNVLQPPANRP QERGDELADSALEIFKQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 500-657 _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation A546T _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The FAS1-4 domain contains the naturally occurring C-terminal of corneal TGFBIp and two additional residues added to N-terminus due to the expression and purification protocol, which are not part of the native TGFBIp sequence. They are denominated as A and G in the beginning of the sequence and A500 G501 in the uploaded assignments file. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; TGFBIp has been found to be a major protein in the human cornea. Mutations occurring in TGFBIp may cause the eye dystrophies, which lead to blindness. The majority of the diseases causing mutations are located in the last domain of TGFBIp, named fourth fascilin-1 (FAS1-4) domain. ; 25425 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 1 500 ALA . 25425 1 2 501 GLY . 25425 1 3 502 MET . 25425 1 4 503 GLY . 25425 1 5 504 THR . 25425 1 6 505 VAL . 25425 1 7 506 MET . 25425 1 8 507 ASP . 25425 1 9 508 VAL . 25425 1 10 509 LEU . 25425 1 11 510 LYS . 25425 1 12 511 GLY . 25425 1 13 512 ASP . 25425 1 14 513 ASN . 25425 1 15 514 ARG . 25425 1 16 515 PHE . 25425 1 17 516 SER . 25425 1 18 517 MET . 25425 1 19 518 LEU . 25425 1 20 519 VAL . 25425 1 21 520 ALA . 25425 1 22 521 ALA . 25425 1 23 522 ILE . 25425 1 24 523 GLN . 25425 1 25 524 SER . 25425 1 26 525 ALA . 25425 1 27 526 GLY . 25425 1 28 527 LEU . 25425 1 29 528 THR . 25425 1 30 529 GLU . 25425 1 31 530 THR . 25425 1 32 531 LEU . 25425 1 33 532 ASN . 25425 1 34 533 ARG . 25425 1 35 534 GLU . 25425 1 36 535 GLY . 25425 1 37 536 VAL . 25425 1 38 537 TYR . 25425 1 39 538 THR . 25425 1 40 539 VAL . 25425 1 41 540 PHE . 25425 1 42 541 ALA . 25425 1 43 542 PRO . 25425 1 44 543 THR . 25425 1 45 544 ASN . 25425 1 46 545 GLU . 25425 1 47 546 THR . 25425 1 48 547 PHE . 25425 1 49 548 ARG . 25425 1 50 549 ALA . 25425 1 51 550 LEU . 25425 1 52 551 PRO . 25425 1 53 552 PRO . 25425 1 54 553 ARG . 25425 1 55 554 GLU . 25425 1 56 555 ARG . 25425 1 57 556 SER . 25425 1 58 557 ARG . 25425 1 59 558 LEU . 25425 1 60 559 LEU . 25425 1 61 560 GLY . 25425 1 62 561 ASP . 25425 1 63 562 ALA . 25425 1 64 563 LYS . 25425 1 65 564 GLU . 25425 1 66 565 LEU . 25425 1 67 566 ALA . 25425 1 68 567 ASN . 25425 1 69 568 ILE . 25425 1 70 569 LEU . 25425 1 71 570 LYS . 25425 1 72 571 TYR . 25425 1 73 572 HIS . 25425 1 74 573 ILE . 25425 1 75 574 GLY . 25425 1 76 575 ASP . 25425 1 77 576 GLU . 25425 1 78 577 ILE . 25425 1 79 578 LEU . 25425 1 80 579 VAL . 25425 1 81 580 SER . 25425 1 82 581 GLY . 25425 1 83 582 GLY . 25425 1 84 583 ILE . 25425 1 85 584 GLY . 25425 1 86 585 ALA . 25425 1 87 586 LEU . 25425 1 88 587 VAL . 25425 1 89 588 ARG . 25425 1 90 589 LEU . 25425 1 91 590 LYS . 25425 1 92 591 SER . 25425 1 93 592 LEU . 25425 1 94 593 GLN . 25425 1 95 594 GLY . 25425 1 96 595 ASP . 25425 1 97 596 LYS . 25425 1 98 597 LEU . 25425 1 99 598 GLU . 25425 1 100 599 VAL . 25425 1 101 600 SER . 25425 1 102 601 LEU . 25425 1 103 602 LYS . 25425 1 104 603 ASN . 25425 1 105 604 ASN . 25425 1 106 605 VAL . 25425 1 107 606 VAL . 25425 1 108 607 SER . 25425 1 109 608 VAL . 25425 1 110 609 ASN . 25425 1 111 610 LYS . 25425 1 112 611 GLU . 25425 1 113 612 PRO . 25425 1 114 613 VAL . 25425 1 115 614 ALA . 25425 1 116 615 GLU . 25425 1 117 616 PRO . 25425 1 118 617 ASP . 25425 1 119 618 ILE . 25425 1 120 619 MET . 25425 1 121 620 ALA . 25425 1 122 621 THR . 25425 1 123 622 ASN . 25425 1 124 623 GLY . 25425 1 125 624 VAL . 25425 1 126 625 VAL . 25425 1 127 626 HIS . 25425 1 128 627 VAL . 25425 1 129 628 ILE . 25425 1 130 629 THR . 25425 1 131 630 ASN . 25425 1 132 631 VAL . 25425 1 133 632 LEU . 25425 1 134 633 GLN . 25425 1 135 634 PRO . 25425 1 136 635 PRO . 25425 1 137 636 ALA . 25425 1 138 637 ASN . 25425 1 139 638 ARG . 25425 1 140 639 PRO . 25425 1 141 640 GLN . 25425 1 142 641 GLU . 25425 1 143 642 ARG . 25425 1 144 643 GLY . 25425 1 145 644 ASP . 25425 1 146 645 GLU . 25425 1 147 646 LEU . 25425 1 148 647 ALA . 25425 1 149 648 ASP . 25425 1 150 649 SER . 25425 1 151 650 ALA . 25425 1 152 651 LEU . 25425 1 153 652 GLU . 25425 1 154 653 ILE . 25425 1 155 654 PHE . 25425 1 156 655 LYS . 25425 1 157 656 GLN . 25425 1 158 657 ALA . 25425 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 . ALA 1 1 25425 1 . GLY 2 2 25425 1 . MET 3 3 25425 1 . GLY 4 4 25425 1 . THR 5 5 25425 1 . VAL 6 6 25425 1 . MET 7 7 25425 1 . ASP 8 8 25425 1 . VAL 9 9 25425 1 . LEU 10 10 25425 1 . LYS 11 11 25425 1 . GLY 12 12 25425 1 . ASP 13 13 25425 1 . ASN 14 14 25425 1 . ARG 15 15 25425 1 . PHE 16 16 25425 1 . SER 17 17 25425 1 . MET 18 18 25425 1 . LEU 19 19 25425 1 . VAL 20 20 25425 1 . ALA 21 21 25425 1 . ALA 22 22 25425 1 . ILE 23 23 25425 1 . GLN 24 24 25425 1 . SER 25 25 25425 1 . ALA 26 26 25425 1 . GLY 27 27 25425 1 . LEU 28 28 25425 1 . THR 29 29 25425 1 . GLU 30 30 25425 1 . THR 31 31 25425 1 . LEU 32 32 25425 1 . ASN 33 33 25425 1 . ARG 34 34 25425 1 . GLU 35 35 25425 1 . GLY 36 36 25425 1 . VAL 37 37 25425 1 . TYR 38 38 25425 1 . THR 39 39 25425 1 . VAL 40 40 25425 1 . PHE 41 41 25425 1 . ALA 42 42 25425 1 . PRO 43 43 25425 1 . THR 44 44 25425 1 . ASN 45 45 25425 1 . GLU 46 46 25425 1 . THR 47 47 25425 1 . PHE 48 48 25425 1 . ARG 49 49 25425 1 . ALA 50 50 25425 1 . LEU 51 51 25425 1 . PRO 52 52 25425 1 . PRO 53 53 25425 1 . ARG 54 54 25425 1 . GLU 55 55 25425 1 . ARG 56 56 25425 1 . SER 57 57 25425 1 . ARG 58 58 25425 1 . LEU 59 59 25425 1 . LEU 60 60 25425 1 . GLY 61 61 25425 1 . ASP 62 62 25425 1 . ALA 63 63 25425 1 . LYS 64 64 25425 1 . GLU 65 65 25425 1 . LEU 66 66 25425 1 . ALA 67 67 25425 1 . ASN 68 68 25425 1 . ILE 69 69 25425 1 . LEU 70 70 25425 1 . LYS 71 71 25425 1 . TYR 72 72 25425 1 . HIS 73 73 25425 1 . ILE 74 74 25425 1 . GLY 75 75 25425 1 . ASP 76 76 25425 1 . GLU 77 77 25425 1 . ILE 78 78 25425 1 . LEU 79 79 25425 1 . VAL 80 80 25425 1 . SER 81 81 25425 1 . GLY 82 82 25425 1 . GLY 83 83 25425 1 . ILE 84 84 25425 1 . GLY 85 85 25425 1 . ALA 86 86 25425 1 . LEU 87 87 25425 1 . VAL 88 88 25425 1 . ARG 89 89 25425 1 . LEU 90 90 25425 1 . LYS 91 91 25425 1 . SER 92 92 25425 1 . LEU 93 93 25425 1 . GLN 94 94 25425 1 . GLY 95 95 25425 1 . ASP 96 96 25425 1 . LYS 97 97 25425 1 . LEU 98 98 25425 1 . GLU 99 99 25425 1 . VAL 100 100 25425 1 . SER 101 101 25425 1 . LEU 102 102 25425 1 . LYS 103 103 25425 1 . ASN 104 104 25425 1 . ASN 105 105 25425 1 . VAL 106 106 25425 1 . VAL 107 107 25425 1 . SER 108 108 25425 1 . VAL 109 109 25425 1 . ASN 110 110 25425 1 . LYS 111 111 25425 1 . GLU 112 112 25425 1 . PRO 113 113 25425 1 . VAL 114 114 25425 1 . ALA 115 115 25425 1 . GLU 116 116 25425 1 . PRO 117 117 25425 1 . ASP 118 118 25425 1 . ILE 119 119 25425 1 . MET 120 120 25425 1 . ALA 121 121 25425 1 . THR 122 122 25425 1 . ASN 123 123 25425 1 . GLY 124 124 25425 1 . VAL 125 125 25425 1 . VAL 126 126 25425 1 . HIS 127 127 25425 1 . VAL 128 128 25425 1 . ILE 129 129 25425 1 . THR 130 130 25425 1 . ASN 131 131 25425 1 . VAL 132 132 25425 1 . LEU 133 133 25425 1 . GLN 134 134 25425 1 . PRO 135 135 25425 1 . PRO 136 136 25425 1 . ALA 137 137 25425 1 . ASN 138 138 25425 1 . ARG 139 139 25425 1 . PRO 140 140 25425 1 . GLN 141 141 25425 1 . GLU 142 142 25425 1 . ARG 143 143 25425 1 . GLY 144 144 25425 1 . ASP 145 145 25425 1 . GLU 146 146 25425 1 . LEU 147 147 25425 1 . ALA 148 148 25425 1 . ASP 149 149 25425 1 . SER 150 150 25425 1 . ALA 151 151 25425 1 . LEU 152 152 25425 1 . GLU 153 153 25425 1 . ILE 154 154 25425 1 . PHE 155 155 25425 1 . LYS 156 156 25425 1 . GLN 157 157 25425 1 . ALA 158 158 25425 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 25425 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FAS1-4_domain_of_TGFBIp . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . TGFBI . 25425 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 25425 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FAS1-4_domain_of_TGFBIp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'ChampionTM pET SUMO Protein Expression System' . . ; The mutant FAS1-4 domain (residues 502 657) was constructed from the corresponding TGFBI clones using the following primers: 5-gcaggtatggggactgtcatggatgtcct-3 (for- ward) and 5-tcatgcttgtttgaagatctcaagcgca-3 (reverse), which add two additional amino acids (Ala-Gly) at the N terminus of FAS1-4 domain compared with the native TGFBIp amino acid sequence (SwissProt accession number Q15582) and include the authentic C terminus of corneal TGFBIp. PCR products were subsequently cloned into the ChampionTM pET SUMO Protein Expression System (Invitrogen) according to the manufacturer s instructions. ; 25425 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_FAS1-4 _Sample.Sf_category sample _Sample.Sf_framecode FAS1-4 _Sample.Entry_ID 25425 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Fibrillated FAS1-4 sample was fully denatured in 95% DMSO, 4% water and 1% TFA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% DMSO, 4% water, 1% TFA' _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 H2O 'natural abundance' . . . . . . 4 . . % . . . . 25425 1 2 DMSO 'natural abundance' . . . . . . 95 . . % . . . . 25425 1 3 TFA 'natural abundance' . . . . . . 1 . . % . . . . 25425 1 4 FAS1-4 '[U-100% 13C; U-100% 15N]' . . 1 $FAS1-4_domain_of_TGFBIp . . 3.3 . . mg/mL . . . . 25425 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 25425 _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 2.9 . pH 25425 1 temperature 298 . K 25425 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25425 _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' . . 25425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25425 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25425 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25425 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25425 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25425 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25425 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25425 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 25425 _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 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 2 '3D HNCO' no . . . . . . . . . . 1 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 4 '3D HNCOCO' no . . . . . . . . . . 1 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 5 (H)CC(CO)NH no . . . . . . . . . . 1 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 6 (HN)CO(CO)NH no . . . . . . . . . . 1 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 7 (H)N(COCO)NH no . . . . . . . . . . 1 $FAS1-4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25425 1 stop_ save_ save_3D_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CA)CO _NMR_spec_expt.Entry_ID 25425 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D_HN(CA)CO _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; In order to improve the resolution of the 13C and 15N dimensions relative to existing pulse schemes, both t1 and t2 were implemented as semi-constant time chemical shift evolution periods (Ref.7) ; save_ save_3D_HNCOCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCOCO _NMR_spec_expt.Entry_ID 25425 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_HNCOCO _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; In order to improve the resolution of the 13C and 15N dimensions relative to existing pulse schemes, both t1 and t2 were implemented as semi-constant time chemical shift evolution periods (Ref.7) ; save_ save_3D_(H)CC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_(H)CC(CO)NH _NMR_spec_expt.Entry_ID 25425 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D_(H)CC(CO)NH _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; In order to improve the resolution of the 13C and 15N dimensions relative to existing pulse schemes, both t1 and t2 were implemented as semi-constant time chemical shift evolution periods (Ref.7) ; save_ save_3D_(HN)CO(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_(HN)CO(CO)NH _NMR_spec_expt.Entry_ID 25425 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D_(HN)CO(CO)NH _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; In order to improve the resolution of the 13C and 15N dimensions relative to existing pulse schemes, both t1 and t2 were implemented as semi-constant time chemical shift evolution periods (Ref.7) ; save_ save_3D_(H)N(COCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_(H)N(COCO)NH _NMR_spec_expt.Entry_ID 25425 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D_(H)N(COCO)NH _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; In order to improve the resolution of the 13C and 15N dimensions relative to existing pulse schemes, both t1 and t2 were implemented as semi-constant time chemical shift evolution periods (Ref.7) ; 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 25425 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25425 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25425 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25425 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 25425 _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' . . . 25425 1 2 '3D HNCO' . . . 25425 1 3 '3D HN(CA)CO' . . . 25425 1 4 '3D HNCOCO' . . . 25425 1 5 (H)CC(CO)NH . . . 25425 1 6 (HN)CO(CO)NH . . . 25425 1 7 (H)N(COCO)NH . . . 25425 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 ALA C C 13 174.108 0.500 . 1 . . . . 500 ALA C . 25425 1 2 . 1 1 2 2 GLY H H 1 8.615 0.010 . 1 . . . . 501 GLY H . 25425 1 3 . 1 1 2 2 GLY C C 13 172.711 0.500 . 1 . . . . 501 GLY C . 25425 1 4 . 1 1 2 2 GLY N N 15 107.742 0.086 . 1 . . . . 501 GLY N . 25425 1 5 . 1 1 3 3 MET H H 1 8.252 0.010 . 1 . . . . 502 MET H . 25425 1 6 . 1 1 3 3 MET C C 13 175.806 0.500 . 1 . . . . 502 MET C . 25425 1 7 . 1 1 3 3 MET CA C 13 56.224 0.500 . 1 . . . . 502 MET CA . 25425 1 8 . 1 1 3 3 MET CB C 13 33.659 0.500 . 1 . . . . 502 MET CB . 25425 1 9 . 1 1 3 3 MET N N 15 118.342 0.086 . 1 . . . . 502 MET N . 25425 1 10 . 1 1 4 4 GLY H H 1 8.300 0.010 . 1 . . . . 503 GLY H . 25425 1 11 . 1 1 4 4 GLY C C 13 173.133 0.500 . 1 . . . . 503 GLY C . 25425 1 12 . 1 1 4 4 GLY CA C 13 46.189 0.500 . 1 . . . . 503 GLY CA . 25425 1 13 . 1 1 4 4 GLY N N 15 107.903 0.086 . 1 . . . . 503 GLY N . 25425 1 14 . 1 1 5 5 THR H H 1 7.772 0.010 . 1 . . . . 504 THR H . 25425 1 15 . 1 1 5 5 THR C C 13 174.299 0.500 . 1 . . . . 504 THR C . 25425 1 16 . 1 1 5 5 THR CA C 13 62.172 0.500 . 1 . . . . 504 THR CA . 25425 1 17 . 1 1 5 5 THR CG2 C 13 23.664 0.500 . 1 . . . . 504 THR CG2 . 25425 1 18 . 1 1 5 5 THR N N 15 112.113 0.086 . 1 . . . . 504 THR N . 25425 1 19 . 1 1 6 6 VAL H H 1 7.814 0.010 . 1 . . . . 505 VAL H . 25425 1 20 . 1 1 6 6 VAL C C 13 175.244 0.500 . 1 . . . . 505 VAL C . 25425 1 21 . 1 1 6 6 VAL CA C 13 62.105 0.500 . 1 . . . . 505 VAL CA . 25425 1 22 . 1 1 6 6 VAL CB C 13 34.583 0.500 . 1 . . . . 505 VAL CB . 25425 1 23 . 1 1 6 6 VAL CG1 C 13 23.553 0.500 . 2 . . . . 505 VAL CG1 . 25425 1 24 . 1 1 6 6 VAL CG2 C 13 22.437 0.500 . 2 . . . . 505 VAL CG2 . 25425 1 25 . 1 1 6 6 VAL N N 15 117.818 0.086 . 1 . . . . 505 VAL N . 25425 1 26 . 1 1 7 7 MET H H 1 8.092 0.010 . 1 . . . . 506 MET H . 25425 1 27 . 1 1 7 7 MET C C 13 175.507 0.500 . 1 . . . . 506 MET C . 25425 1 28 . 1 1 7 7 MET CA C 13 56.102 0.500 . 1 . . . . 506 MET CA . 25425 1 29 . 1 1 7 7 MET CB C 13 36.615 0.500 . 1 . . . . 506 MET CB . 25425 1 30 . 1 1 7 7 MET CG C 13 33.631 0.500 . 1 . . . . 506 MET CG . 25425 1 31 . 1 1 7 7 MET N N 15 120.548 0.086 . 1 . . . . 506 MET N . 25425 1 32 . 1 1 8 8 ASP H H 1 8.268 0.010 . 1 . . . . 507 ASP H . 25425 1 33 . 1 1 8 8 ASP C C 13 174.736 0.500 . 1 . . . . 507 ASP C . 25425 1 34 . 1 1 8 8 ASP CA C 13 53.855 0.500 . 1 . . . . 507 ASP CA . 25425 1 35 . 1 1 8 8 ASP CB C 13 39.729 0.500 . 1 . . . . 507 ASP CB . 25425 1 36 . 1 1 8 8 ASP N N 15 119.485 0.086 . 1 . . . . 507 ASP N . 25425 1 37 . 1 1 9 9 VAL H H 1 7.678 0.010 . 1 . . . . 508 VAL H . 25425 1 38 . 1 1 9 9 VAL C C 13 175.085 0.500 . 1 . . . . 508 VAL C . 25425 1 39 . 1 1 9 9 VAL CA C 13 61.917 0.500 . 1 . . . . 508 VAL CA . 25425 1 40 . 1 1 9 9 VAL CB C 13 34.828 0.500 . 1 . . . . 508 VAL CB . 25425 1 41 . 1 1 9 9 VAL CG1 C 13 23.432 0.500 . 2 . . . . 508 VAL CG1 . 25425 1 42 . 1 1 9 9 VAL CG2 C 13 22.195 0.500 . 2 . . . . 508 VAL CG2 . 25425 1 43 . 1 1 9 9 VAL N N 15 115.716 0.086 . 1 . . . . 508 VAL N . 25425 1 44 . 1 1 10 10 LEU H H 1 7.972 0.010 . 1 . . . . 509 LEU H . 25425 1 45 . 1 1 10 10 LEU C C 13 176.353 0.500 . 1 . . . . 509 LEU C . 25425 1 46 . 1 1 10 10 LEU CA C 13 55.239 0.500 . 1 . . . . 509 LEU CA . 25425 1 47 . 1 1 10 10 LEU CB C 13 44.510 0.500 . 1 . . . . 509 LEU CB . 25425 1 48 . 1 1 10 10 LEU CG C 13 28.267 0.500 . 1 . . . . 509 LEU CG . 25425 1 49 . 1 1 10 10 LEU CD1 C 13 27.368 0.500 . 2 . . . . 509 LEU CD1 . 25425 1 50 . 1 1 10 10 LEU CD2 C 13 25.611 0.500 . 2 . . . . 509 LEU CD2 . 25425 1 51 . 1 1 10 10 LEU N N 15 122.360 0.086 . 1 . . . . 509 LEU N . 25425 1 52 . 1 1 11 11 LYS H H 1 7.939 0.010 . 1 . . . . 510 LYS H . 25425 1 53 . 1 1 11 11 LYS C C 13 176.159 0.500 . 1 . . . . 510 LYS C . 25425 1 54 . 1 1 11 11 LYS CD C 13 28.640 0.500 . 1 . . . . 510 LYS CD . 25425 1 55 . 1 1 11 11 LYS CE C 13 43.053 0.500 . 1 . . . . 510 LYS CE . 25425 1 56 . 1 1 11 11 LYS N N 15 119.339 0.086 . 1 . . . . 510 LYS N . 25425 1 57 . 1 1 12 12 GLY H H 1 8.107 0.010 . 1 . . . . 511 GLY H . 25425 1 58 . 1 1 12 12 GLY C C 13 173.184 0.500 . 1 . . . . 511 GLY C . 25425 1 59 . 1 1 12 12 GLY CA C 13 46.033 0.500 . 1 . . . . 511 GLY CA . 25425 1 60 . 1 1 12 12 GLY N N 15 107.105 0.086 . 1 . . . . 511 GLY N . 25425 1 61 . 1 1 13 13 ASP H H 1 8.261 0.010 . 1 . . . . 512 ASP H . 25425 1 62 . 1 1 13 13 ASP C C 13 174.880 0.500 . 1 . . . . 512 ASP C . 25425 1 63 . 1 1 13 13 ASP CA C 13 53.674 0.500 . 1 . . . . 512 ASP CA . 25425 1 64 . 1 1 13 13 ASP CB C 13 40.270 0.500 . 1 . . . . 512 ASP CB . 25425 1 65 . 1 1 13 13 ASP N N 15 118.073 0.086 . 1 . . . . 512 ASP N . 25425 1 66 . 1 1 14 14 ASN H H 1 8.164 0.010 . 1 . . . . 513 ASN H . 25425 1 67 . 1 1 14 14 ASN C C 13 175.486 0.500 . 1 . . . . 513 ASN C . 25425 1 68 . 1 1 14 14 ASN N N 15 117.961 0.086 . 1 . . . . 513 ASN N . 25425 1 69 . 1 1 15 15 ARG H H 1 8.046 0.010 . 1 . . . . 514 ARG H . 25425 1 70 . 1 1 15 15 ARG C C 13 175.720 0.500 . 1 . . . . 514 ARG C . 25425 1 71 . 1 1 15 15 ARG CA C 13 57.195 0.500 . 1 . . . . 514 ARG CA . 25425 1 72 . 1 1 15 15 ARG CB C 13 32.812 0.500 . 1 . . . . 514 ARG CB . 25425 1 73 . 1 1 15 15 ARG CG C 13 28.662 0.500 . 1 . . . . 514 ARG CG . 25425 1 74 . 1 1 15 15 ARG CD C 13 44.730 0.500 . 1 . . . . 514 ARG CD . 25425 1 75 . 1 1 15 15 ARG N N 15 119.458 0.086 . 1 . . . . 514 ARG N . 25425 1 76 . 1 1 16 16 PHE H H 1 8.060 0.010 . 1 . . . . 515 PHE H . 25425 1 77 . 1 1 16 16 PHE C C 13 175.697 0.500 . 1 . . . . 515 PHE C . 25425 1 78 . 1 1 16 16 PHE CA C 13 58.517 0.500 . 1 . . . . 515 PHE CA . 25425 1 79 . 1 1 16 16 PHE CB C 13 41.322 0.500 . 1 . . . . 515 PHE CB . 25425 1 80 . 1 1 16 16 PHE N N 15 117.451 0.086 . 1 . . . . 515 PHE N . 25425 1 81 . 1 1 17 17 SER H H 1 8.103 0.010 . 1 . . . . 516 SER H . 25425 1 82 . 1 1 17 17 SER C C 13 174.515 0.500 . 1 . . . . 516 SER C . 25425 1 83 . 1 1 17 17 SER CA C 13 59.750 0.500 . 1 . . . . 516 SER CA . 25425 1 84 . 1 1 17 17 SER CB C 13 66.256 0.500 . 1 . . . . 516 SER CB . 25425 1 85 . 1 1 17 17 SER N N 15 115.036 0.086 . 1 . . . . 516 SER N . 25425 1 86 . 1 1 18 18 MET H H 1 7.996 0.010 . 1 . . . . 517 MET H . 25425 1 87 . 1 1 18 18 MET C C 13 175.412 0.500 . 1 . . . . 517 MET C . 25425 1 88 . 1 1 18 18 MET CA C 13 56.460 0.500 . 1 . . . . 517 MET CA . 25425 1 89 . 1 1 18 18 MET CG C 13 33.592 0.500 . 1 . . . . 517 MET CG . 25425 1 90 . 1 1 18 18 MET N N 15 119.668 0.086 . 1 . . . . 517 MET N . 25425 1 91 . 1 1 19 19 LEU H H 1 8.017 0.010 . 1 . . . . 518 LEU H . 25425 1 92 . 1 1 19 19 LEU C C 13 176.376 0.500 . 1 . . . . 518 LEU C . 25425 1 93 . 1 1 19 19 LEU N N 15 120.332 0.086 . 1 . . . . 518 LEU N . 25425 1 94 . 1 1 20 20 VAL H H 1 7.749 0.010 . 1 . . . . 519 VAL H . 25425 1 95 . 1 1 20 20 VAL C C 13 175.065 0.500 . 1 . . . . 519 VAL C . 25425 1 96 . 1 1 20 20 VAL CA C 13 62.208 0.500 . 1 . . . . 519 VAL CA . 25425 1 97 . 1 1 20 20 VAL CB C 13 34.725 0.500 . 1 . . . . 519 VAL CB . 25425 1 98 . 1 1 20 20 VAL CG1 C 13 23.455 0.500 . 2 . . . . 519 VAL CG1 . 25425 1 99 . 1 1 20 20 VAL CG2 C 13 22.504 0.500 . 2 . . . . 519 VAL CG2 . 25425 1 100 . 1 1 20 20 VAL N N 15 116.272 0.086 . 1 . . . . 519 VAL N . 25425 1 101 . 1 1 21 21 ALA H H 1 8.038 0.010 . 1 . . . . 520 ALA H . 25425 1 102 . 1 1 21 21 ALA C C 13 176.469 0.500 . 1 . . . . 520 ALA C . 25425 1 103 . 1 1 21 21 ALA CA C 13 52.607 0.500 . 1 . . . . 520 ALA CA . 25425 1 104 . 1 1 21 21 ALA CB C 13 22.080 0.500 . 1 . . . . 520 ALA CB . 25425 1 105 . 1 1 21 21 ALA N N 15 123.872 0.086 . 1 . . . . 520 ALA N . 25425 1 106 . 1 1 22 22 ALA H H 1 8.001 0.010 . 1 . . . . 521 ALA H . 25425 1 107 . 1 1 22 22 ALA C C 13 176.654 0.500 . 1 . . . . 521 ALA C . 25425 1 108 . 1 1 22 22 ALA CA C 13 52.763 0.500 . 1 . . . . 521 ALA CA . 25425 1 109 . 1 1 22 22 ALA CB C 13 21.936 0.500 . 1 . . . . 521 ALA CB . 25425 1 110 . 1 1 22 22 ALA N N 15 120.999 0.086 . 1 . . . . 521 ALA N . 25425 1 111 . 1 1 23 23 ILE H H 1 7.766 0.010 . 1 . . . . 522 ILE H . 25425 1 112 . 1 1 23 23 ILE C C 13 175.464 0.500 . 1 . . . . 522 ILE C . 25425 1 113 . 1 1 23 23 ILE N N 15 116.139 0.086 . 1 . . . . 522 ILE N . 25425 1 114 . 1 1 24 24 GLN H H 1 8.100 0.010 . 1 . . . . 523 GLN H . 25425 1 115 . 1 1 24 24 GLN C C 13 175.694 0.500 . 1 . . . . 523 GLN C . 25425 1 116 . 1 1 24 24 GLN CA C 13 56.698 0.500 . 1 . . . . 523 GLN CA . 25425 1 117 . 1 1 24 24 GLN CB C 13 31.46 0.500 . 1 . . . . 523 GLN CB . 25425 1 118 . 1 1 24 24 GLN CG C 13 35.612 0.500 . 1 . . . . 523 GLN CG . 25425 1 119 . 1 1 24 24 GLN N N 15 121.632 0.086 . 1 . . . . 523 GLN N . 25425 1 120 . 1 1 25 25 SER H H 1 7.900 0.010 . 1 . . . . 524 SER H . 25425 1 121 . 1 1 25 25 SER C C 13 174.358 0.500 . 1 . . . . 524 SER C . 25425 1 122 . 1 1 25 25 SER N N 15 114.811 0.086 . 1 . . . . 524 SER N . 25425 1 123 . 1 1 26 26 ALA H H 1 8.128 0.010 . 1 . . . . 525 ALA H . 25425 1 124 . 1 1 26 26 ALA C C 13 177.065 0.500 . 1 . . . . 525 ALA C . 25425 1 125 . 1 1 26 26 ALA CA C 13 53.030 0.500 . 1 . . . . 525 ALA CA . 25425 1 126 . 1 1 26 26 ALA CB C 13 22.033 0.500 . 1 . . . . 525 ALA CB . 25425 1 127 . 1 1 26 26 ALA N N 15 123.585 0.086 . 1 . . . . 525 ALA N . 25425 1 128 . 1 1 27 27 GLY H H 1 8.128 0.010 . 1 . . . . 526 GLY H . 25425 1 129 . 1 1 27 27 GLY C C 13 172.966 0.500 . 1 . . . . 526 GLY C . 25425 1 130 . 1 1 27 27 GLY N N 15 105.430 0.086 . 1 . . . . 526 GLY N . 25425 1 131 . 1 1 28 28 LEU H H 1 7.930 0.010 . 1 . . . . 527 LEU H . 25425 1 132 . 1 1 28 28 LEU C C 13 176.652 0.500 . 1 . . . . 527 LEU C . 25425 1 133 . 1 1 28 28 LEU CA C 13 55.406 0.500 . 1 . . . . 527 LEU CA . 25425 1 134 . 1 1 28 28 LEU CB C 13 44.972 0.500 . 1 . . . . 527 LEU CB . 25425 1 135 . 1 1 28 28 LEU CG C 13 28.359 0.500 . 1 . . . . 527 LEU CG . 25425 1 136 . 1 1 28 28 LEU CD1 C 13 27.334 0.500 . 2 . . . . 527 LEU CD1 . 25425 1 137 . 1 1 28 28 LEU CD2 C 13 25.899 0.500 . 2 . . . . 527 LEU CD2 . 25425 1 138 . 1 1 28 28 LEU N N 15 119.433 0.086 . 1 . . . . 527 LEU N . 25425 1 139 . 1 1 29 29 THR H H 1 7.916 0.010 . 1 . . . . 528 THR H . 25425 1 140 . 1 1 29 29 THR C C 13 174.423 0.500 . 1 . . . . 528 THR C . 25425 1 141 . 1 1 29 29 THR CA C 13 62.836 0.500 . 1 . . . . 528 THR CA . 25425 1 142 . 1 1 29 29 THR CB C 13 70.811 0.500 . 1 . . . . 528 THR CB . 25425 1 143 . 1 1 29 29 THR CG2 C 13 23.990 0.500 . 1 . . . . 528 THR CG2 . 25425 1 144 . 1 1 29 29 THR N N 15 113.131 0.086 . 1 . . . . 528 THR N . 25425 1 145 . 1 1 30 30 GLU H H 1 7.905 0.010 . 1 . . . . 529 GLU H . 25425 1 146 . 1 1 30 30 GLU C C 13 175.519 0.500 . 1 . . . . 529 GLU C . 25425 1 147 . 1 1 30 30 GLU CA C 13 56.225 0.500 . 1 . . . . 529 GLU CA . 25425 1 148 . 1 1 30 30 GLU CB C 13 34.286 0.500 . 1 . . . . 529 GLU CB . 25425 1 149 . 1 1 30 30 GLU N N 15 119.995 0.086 . 1 . . . . 529 GLU N . 25425 1 150 . 1 1 31 31 THR H H 1 7.815 0.010 . 1 . . . . 530 THR H . 25425 1 151 . 1 1 31 31 THR C C 13 174.191 0.500 . 1 . . . . 530 THR C . 25425 1 152 . 1 1 31 31 THR CA C 13 62.432 0.500 . 1 . . . . 530 THR CA . 25425 1 153 . 1 1 31 31 THR CB C 13 71.129 0.500 . 1 . . . . 530 THR CB . 25425 1 154 . 1 1 31 31 THR CG2 C 13 23.843 0.500 . 1 . . . . 530 THR CG2 . 25425 1 155 . 1 1 31 31 THR N N 15 113.520 0.086 . 1 . . . . 530 THR N . 25425 1 156 . 1 1 32 32 LEU H H 1 7.937 0.010 . 1 . . . . 531 LEU H . 25425 1 157 . 1 1 32 32 LEU C C 13 176.428 0.500 . 1 . . . . 531 LEU C . 25425 1 158 . 1 1 32 32 LEU CA C 13 55.385 0.500 . 1 . . . . 531 LEU CA . 25425 1 159 . 1 1 32 32 LEU CB C 13 44.848 0.500 . 1 . . . . 531 LEU CB . 25425 1 160 . 1 1 32 32 LEU CG C 13 28.279 0.500 . 1 . . . . 531 LEU CG . 25425 1 161 . 1 1 32 32 LEU CD1 C 13 27.300 0.500 . 2 . . . . 531 LEU CD1 . 25425 1 162 . 1 1 32 32 LEU CD2 C 13 25.726 0.500 . 2 . . . . 531 LEU CD2 . 25425 1 163 . 1 1 32 32 LEU N N 15 121.428 0.086 . 1 . . . . 531 LEU N . 25425 1 164 . 1 1 33 33 ASN H H 1 8.133 0.010 . 1 . . . . 532 ASN H . 25425 1 165 . 1 1 33 33 ASN C C 13 175.410 0.500 . 1 . . . . 532 ASN C . 25425 1 166 . 1 1 33 33 ASN CA C 13 57.928 0.500 . 1 . . . . 532 ASN CA . 25425 1 167 . 1 1 33 33 ASN CB C 13 41.408 0.500 . 1 . . . . 532 ASN CB . 25425 1 168 . 1 1 33 33 ASN N N 15 118.673 0.086 . 1 . . . . 532 ASN N . 25425 1 169 . 1 1 34 34 ARG H H 1 8.024 0.010 . 1 . . . . 533 ARG H . 25425 1 170 . 1 1 34 34 ARG C C 13 175.607 0.500 . 1 . . . . 533 ARG C . 25425 1 171 . 1 1 34 34 ARG CA C 13 56.639 0.500 . 1 . . . . 533 ARG CA . 25425 1 172 . 1 1 34 34 ARG CB C 13 32.960 0.500 . 1 . . . . 533 ARG CB . 25425 1 173 . 1 1 34 34 ARG CG C 13 28.709 0.500 . 1 . . . . 533 ARG CG . 25425 1 174 . 1 1 34 34 ARG CD C 13 44.745 0.500 . 1 . . . . 533 ARG CD . 25425 1 175 . 1 1 34 34 ARG N N 15 119.361 0.086 . 1 . . . . 533 ARG N . 25425 1 176 . 1 1 35 35 GLU H H 1 8.037 0.010 . 1 . . . . 534 GLU H . 25425 1 177 . 1 1 35 35 GLU C C 13 175.785 0.500 . 1 . . . . 534 GLU C . 25425 1 178 . 1 1 35 35 GLU CA C 13 56.453 0.500 . 1 . . . . 534 GLU CA . 25425 1 179 . 1 1 35 35 GLU CB C 13 30.892 0.500 . 1 . . . . 534 GLU CB . 25425 1 180 . 1 1 35 35 GLU CG C 13 34.427 0.500 . 1 . . . . 534 GLU CG . 25425 1 181 . 1 1 35 35 GLU N N 15 117.940 0.086 . 1 . . . . 534 GLU N . 25425 1 182 . 1 1 36 36 GLY H H 1 8.065 0.010 . 1 . . . . 535 GLY H . 25425 1 183 . 1 1 36 36 GLY C C 13 172.839 0.500 . 1 . . . . 535 GLY C . 25425 1 184 . 1 1 36 36 GLY CA C 13 46.198 0.500 . 1 . . . . 535 GLY CA . 25425 1 185 . 1 1 36 36 GLY N N 15 107.370 0.086 . 1 . . . . 535 GLY N . 25425 1 186 . 1 1 37 37 VAL H H 1 7.710 0.010 . 1 . . . . 536 VAL H . 25425 1 187 . 1 1 37 37 VAL C C 13 175.169 0.500 . 1 . . . . 536 VAL C . 25425 1 188 . 1 1 37 37 VAL CA C 13 61.565 0.500 . 1 . . . . 536 VAL CA . 25425 1 189 . 1 1 37 37 VAL CB C 13 35.024 0.500 . 1 . . . . 536 VAL CB . 25425 1 190 . 1 1 37 37 VAL CG1 C 13 23.518 0.500 . 2 . . . . 536 VAL CG1 . 25425 1 191 . 1 1 37 37 VAL CG2 C 13 22.255 0.500 . 2 . . . . 536 VAL CG2 . 25425 1 192 . 1 1 37 37 VAL N N 15 115.139 0.086 . 1 . . . . 536 VAL N . 25425 1 193 . 1 1 38 38 TYR H H 1 8.123 0.010 . 1 . . . . 537 TYR H . 25425 1 194 . 1 1 38 38 TYR C C 13 175.662 0.500 . 1 . . . . 537 TYR C . 25425 1 195 . 1 1 38 38 TYR CA C 13 58.490 0.500 . 1 . . . . 537 TYR CA . 25425 1 196 . 1 1 38 38 TYR CB C 13 40.786 0.500 . 1 . . . . 537 TYR CB . 25425 1 197 . 1 1 38 38 TYR N N 15 121.248 0.086 . 1 . . . . 537 TYR N . 25425 1 198 . 1 1 39 39 THR H H 1 7.914 0.010 . 1 . . . . 538 THR H . 25425 1 199 . 1 1 39 39 THR C C 13 173.915 0.500 . 1 . . . . 538 THR C . 25425 1 200 . 1 1 39 39 THR CA C 13 62.097 0.500 . 1 . . . . 538 THR CA . 25425 1 201 . 1 1 39 39 THR CG2 C 13 23.615 0.500 . 1 . . . . 538 THR CG2 . 25425 1 202 . 1 1 39 39 THR N N 15 112.962 0.086 . 1 . . . . 538 THR N . 25425 1 203 . 1 1 40 40 VAL H H 1 7.595 0.010 . 1 . . . . 539 VAL H . 25425 1 204 . 1 1 40 40 VAL C C 13 174.944 0.500 . 1 . . . . 539 VAL C . 25425 1 205 . 1 1 40 40 VAL CA C 13 61.675 0.500 . 1 . . . . 539 VAL CA . 25425 1 206 . 1 1 40 40 VAL CB C 13 34.897 0.500 . 1 . . . . 539 VAL CB . 25425 1 207 . 1 1 40 40 VAL CG1 C 13 23.432 0.500 . 2 . . . . 539 VAL CG1 . 25425 1 208 . 1 1 40 40 VAL CG2 C 13 21.932 0.500 . 2 . . . . 539 VAL CG2 . 25425 1 209 . 1 1 40 40 VAL N N 15 116.715 0.086 . 1 . . . . 539 VAL N . 25425 1 210 . 1 1 41 41 PHE H H 1 8.050 0.010 . 1 . . . . 540 PHE H . 25425 1 211 . 1 1 41 41 PHE C C 13 174.738 0.500 . 1 . . . . 540 PHE C . 25425 1 212 . 1 1 41 41 PHE CA C 13 57.765 0.500 . 1 . . . . 540 PHE CA . 25425 1 213 . 1 1 41 41 PHE CB C 13 41.579 0.500 . 1 . . . . 540 PHE CB . 25425 1 214 . 1 1 41 41 PHE N N 15 120.555 0.086 . 1 . . . . 540 PHE N . 25425 1 215 . 1 1 42 42 ALA H H 1 8.184 0.010 . 1 . . . . 541 ALA H . 25425 1 216 . 1 1 42 42 ALA C C 13 174.858 0.500 . 1 . . . . 541 ALA C . 25425 1 217 . 1 1 42 42 ALA N N 15 123.120 0.086 . 1 . . . . 541 ALA N . 25425 1 218 . 1 1 43 43 PRO C C 13 176.308 0.500 . 1 . . . . 542 PRO C . 25425 1 219 . 1 1 43 43 PRO CA C 13 63.643 0.500 . 1 . . . . 542 PRO CA . 25425 1 220 . 1 1 43 43 PRO CB C 13 33.101 0.500 . 1 . . . . 542 PRO CB . 25425 1 221 . 1 1 43 43 PRO CG C 13 28.735 0.500 . 1 . . . . 542 PRO CG . 25425 1 222 . 1 1 43 43 PRO CD C 13 50.978 0.500 . 1 . . . . 542 PRO CD . 25425 1 223 . 1 1 44 44 THR H H 1 7.847 0.010 . 1 . . . . 543 THR H . 25425 1 224 . 1 1 44 44 THR C C 13 174.279 0.500 . 1 . . . . 543 THR C . 25425 1 225 . 1 1 44 44 THR CA C 13 62.577 0.500 . 1 . . . . 543 THR CA . 25425 1 226 . 1 1 44 44 THR CG2 C 13 23.628 0.500 . 1 . . . . 543 THR CG2 . 25425 1 227 . 1 1 44 44 THR N N 15 111.389 0.086 . 1 . . . . 543 THR N . 25425 1 228 . 1 1 45 45 ASN H H 1 8.067 0.010 . 1 . . . . 544 ASN H . 25425 1 229 . 1 1 45 45 ASN C C 13 175.376 0.500 . 1 . . . . 544 ASN C . 25425 1 230 . 1 1 45 45 ASN CA C 13 54.078 0.500 . 1 . . . . 544 ASN CA . 25425 1 231 . 1 1 45 45 ASN CB C 13 40.904 0.500 . 1 . . . . 544 ASN CB . 25425 1 232 . 1 1 45 45 ASN N N 15 119.114 0.086 . 1 . . . . 544 ASN N . 25425 1 233 . 1 1 46 46 GLU H H 1 7.935 0.010 . 1 . . . . 545 GLU H . 25425 1 234 . 1 1 46 46 GLU C C 13 175.457 0.500 . 1 . . . . 545 GLU C . 25425 1 235 . 1 1 46 46 GLU CA C 13 56.366 0.500 . 1 . . . . 545 GLU CA . 25425 1 236 . 1 1 46 46 GLU CB C 13 30.786 0.500 . 1 . . . . 545 GLU CB . 25425 1 237 . 1 1 46 46 GLU CG C 13 34.329 0.500 . 1 . . . . 545 GLU CG . 25425 1 238 . 1 1 46 46 GLU N N 15 118.472 0.086 . 1 . . . . 545 GLU N . 25425 1 239 . 1 1 47 47 THR H H 1 7.700 0.010 . 1 . . . . 546 THR H . 25425 1 240 . 1 1 47 47 THR C C 13 174.138 0.500 . 1 . . . . 546 THR C . 25425 1 241 . 1 1 47 47 THR CA C 13 62.669 0.500 . 1 . . . . 546 THR CA . 25425 1 242 . 1 1 47 47 THR CG2 C 13 23.557 0.500 . 1 . . . . 546 THR CG2 . 25425 1 243 . 1 1 47 47 THR N N 15 112.820 0.086 . 1 . . . . 546 THR N . 25425 1 244 . 1 1 48 48 PHE H H 1 7.946 0.010 . 1 . . . . 547 PHE H . 25425 1 245 . 1 1 48 48 PHE C C 13 175.264 0.500 . 1 . . . . 547 PHE C . 25425 1 246 . 1 1 48 48 PHE CA C 13 58.203 0.500 . 1 . . . . 547 PHE CA . 25425 1 247 . 1 1 48 48 PHE CB C 13 41.411 0.500 . 1 . . . . 547 PHE CB . 25425 1 248 . 1 1 48 48 PHE N N 15 119.506 0.086 . 1 . . . . 547 PHE N . 25425 1 249 . 1 1 49 49 ARG H H 1 8.141 0.010 . 1 . . . . 548 ARG H . 25425 1 250 . 1 1 49 49 ARG C C 13 174.986 0.500 . 1 . . . . 548 ARG C . 25425 1 251 . 1 1 49 49 ARG CA C 13 56.434 0.500 . 1 . . . . 548 ARG CA . 25425 1 252 . 1 1 49 49 ARG CB C 13 33.212 0.500 . 1 . . . . 548 ARG CB . 25425 1 253 . 1 1 49 49 ARG CG C 13 28.898 0.500 . 1 . . . . 548 ARG CG . 25425 1 254 . 1 1 49 49 ARG CD C 13 44.745 0.500 . 1 . . . . 548 ARG CD . 25425 1 255 . 1 1 49 49 ARG N N 15 119.561 0.086 . 1 . . . . 548 ARG N . 25425 1 256 . 1 1 50 50 ALA H H 1 7.918 0.010 . 1 . . . . 549 ALA H . 25425 1 257 . 1 1 50 50 ALA C C 13 176.251 0.500 . 1 . . . . 549 ALA C . 25425 1 258 . 1 1 50 50 ALA CA C 13 51.985 0.500 . 1 . . . . 549 ALA CA . 25425 1 259 . 1 1 50 50 ALA CB C 13 22.480 0.500 . 1 . . . . 549 ALA CB . 25425 1 260 . 1 1 50 50 ALA N N 15 122.147 0.086 . 1 . . . . 549 ALA N . 25425 1 261 . 1 1 51 51 LEU H H 1 8.010 0.010 . 1 . . . . 550 LEU H . 25425 1 262 . 1 1 51 51 LEU C C 13 174.356 0.500 . 1 . . . . 550 LEU C . 25425 1 263 . 1 1 51 51 LEU N N 15 119.414 0.086 . 1 . . . . 550 LEU N . 25425 1 264 . 1 1 52 52 PRO C C 13 176.436 0.500 . 1 . . . . 551 PRO C . 25425 1 265 . 1 1 54 54 ARG H H 1 8.052 0.010 . 1 . . . . 553 ARG H . 25425 1 266 . 1 1 54 54 ARG C C 13 175.930 0.500 . 1 . . . . 553 ARG C . 25425 1 267 . 1 1 54 54 ARG N N 15 117.973 0.086 . 1 . . . . 553 ARG N . 25425 1 268 . 1 1 55 55 GLU H H 1 7.863 0.010 . 1 . . . . 554 GLU H . 25425 1 269 . 1 1 55 55 GLU C C 13 175.544 0.500 . 1 . . . . 554 GLU C . 25425 1 270 . 1 1 55 55 GLU N N 15 118.046 0.086 . 1 . . . . 554 GLU N . 25425 1 271 . 1 1 56 56 ARG H H 1 8.020 0.010 . 1 . . . . 555 ARG H . 25425 1 272 . 1 1 56 56 ARG C C 13 175.833 0.500 . 1 . . . . 555 ARG C . 25425 1 273 . 1 1 56 56 ARG N N 15 119.691 0.086 . 1 . . . . 555 ARG N . 25425 1 274 . 1 1 57 57 SER H H 1 8.013 0.010 . 1 . . . . 556 SER H . 25425 1 275 . 1 1 57 57 SER C C 13 174.664 0.500 . 1 . . . . 556 SER C . 25425 1 276 . 1 1 57 57 SER N N 15 115.094 0.086 . 1 . . . . 556 SER N . 25425 1 277 . 1 1 58 58 ARG H H 1 8.162 0.010 . 1 . . . . 557 ARG H . 25425 1 278 . 1 1 58 58 ARG C C 13 175.726 0.500 . 1 . . . . 557 ARG C . 25425 1 279 . 1 1 58 58 ARG CA C 13 56.821 0.500 . 1 . . . . 557 ARG CA . 25425 1 280 . 1 1 58 58 ARG CB C 13 33.186 0.500 . 1 . . . . 557 ARG CB . 25425 1 281 . 1 1 58 58 ARG CG C 13 28.911 0.500 . 1 . . . . 557 ARG CG . 25425 1 282 . 1 1 58 58 ARG CD C 13 44.826 0.500 . 1 . . . . 557 ARG CD . 25425 1 283 . 1 1 58 58 ARG N N 15 121.123 0.086 . 1 . . . . 557 ARG N . 25425 1 284 . 1 1 59 59 LEU H H 1 7.956 0.010 . 1 . . . . 558 LEU H . 25425 1 285 . 1 1 59 59 LEU C C 13 176.454 0.500 . 1 . . . . 558 LEU C . 25425 1 286 . 1 1 59 59 LEU CA C 13 55.402 0.500 . 1 . . . . 558 LEU CA . 25425 1 287 . 1 1 59 59 LEU CB C 13 44.659 0.500 . 1 . . . . 558 LEU CB . 25425 1 288 . 1 1 59 59 LEU CD1 C 13 27.334 0.500 . 2 . . . . 558 LEU CD1 . 25425 1 289 . 1 1 59 59 LEU CD2 C 13 25.633 0.500 . 2 . . . . 558 LEU CD2 . 25425 1 290 . 1 1 59 59 LEU N N 15 120.011 0.086 . 1 . . . . 558 LEU N . 25425 1 291 . 1 1 60 60 LEU H H 1 7.953 0.010 . 1 . . . . 559 LEU H . 25425 1 292 . 1 1 60 60 LEU C C 13 176.926 0.500 . 1 . . . . 559 LEU C . 25425 1 293 . 1 1 60 60 LEU CA C 13 55.573 0.500 . 1 . . . . 559 LEU CA . 25425 1 294 . 1 1 60 60 LEU CB C 13 45.038 0.500 . 1 . . . . 559 LEU CB . 25425 1 295 . 1 1 60 60 LEU CG C 13 28.323 0.500 . 1 . . . . 559 LEU CG . 25425 1 296 . 1 1 60 60 LEU CD1 C 13 27.242 0.500 . 2 . . . . 559 LEU CD1 . 25425 1 297 . 1 1 60 60 LEU CD2 C 13 25.770 0.500 . 2 . . . . 559 LEU CD2 . 25425 1 298 . 1 1 60 60 LEU N N 15 120.143 0.086 . 1 . . . . 559 LEU N . 25425 1 299 . 1 1 61 61 GLY H H 1 8.090 0.010 . 1 . . . . 560 GLY H . 25425 1 300 . 1 1 61 61 GLY C C 13 173.262 0.500 . 1 . . . . 560 GLY C . 25425 1 301 . 1 1 61 61 GLY N N 15 106.562 0.086 . 1 . . . . 560 GLY N . 25425 1 302 . 1 1 62 62 ASP H H 1 8.177 0.010 . 1 . . . . 561 ASP H . 25425 1 303 . 1 1 62 62 ASP C C 13 174.962 0.500 . 1 . . . . 561 ASP C . 25425 1 304 . 1 1 62 62 ASP CA C 13 53.681 0.500 . 1 . . . . 561 ASP CA . 25425 1 305 . 1 1 62 62 ASP CB C 13 40.220 0.500 . 1 . . . . 561 ASP CB . 25425 1 306 . 1 1 62 62 ASP N N 15 117.912 0.086 . 1 . . . . 561 ASP N . 25425 1 307 . 1 1 63 63 ALA H H 1 8.055 0.010 . 1 . . . . 562 ALA H . 25425 1 308 . 1 1 63 63 ALA C C 13 176.806 0.500 . 1 . . . . 562 ALA C . 25425 1 309 . 1 1 63 63 ALA CA C 13 53.116 0.500 . 1 . . . . 562 ALA CA . 25425 1 310 . 1 1 63 63 ALA CB C 13 21.893 0.500 . 1 . . . . 562 ALA CB . 25425 1 311 . 1 1 63 63 ALA N N 15 121.968 0.086 . 1 . . . . 562 ALA N . 25425 1 312 . 1 1 64 64 LYS H H 1 7.995 0.010 . 1 . . . . 563 LYS H . 25425 1 313 . 1 1 64 64 LYS C C 13 176.050 0.500 . 1 . . . . 563 LYS C . 25425 1 314 . 1 1 64 64 LYS N N 15 117.793 0.086 . 1 . . . . 563 LYS N . 25425 1 315 . 1 1 65 65 GLU H H 1 7.927 0.010 . 1 . . . . 564 GLU H . 25425 1 316 . 1 1 65 65 GLU C C 13 175.645 0.500 . 1 . . . . 564 GLU C . 25425 1 317 . 1 1 65 65 GLU CA C 13 56.318 0.500 . 1 . . . . 564 GLU CA . 25425 1 318 . 1 1 65 65 GLU CG C 13 34.331 0.500 . 1 . . . . 564 GLU CG . 25425 1 319 . 1 1 65 65 GLU N N 15 118.337 0.086 . 1 . . . . 564 GLU N . 25425 1 320 . 1 1 66 66 LEU H H 1 7.946 0.010 . 1 . . . . 565 LEU H . 25425 1 321 . 1 1 66 66 LEU C C 13 176.343 0.500 . 1 . . . . 565 LEU C . 25425 1 322 . 1 1 66 66 LEU CA C 13 55.367 0.500 . 1 . . . . 565 LEU CA . 25425 1 323 . 1 1 66 66 LEU CB C 13 44.564 0.500 . 1 . . . . 565 LEU CB . 25425 1 324 . 1 1 66 66 LEU CG C 13 28.245 0.500 . 1 . . . . 565 LEU CG . 25425 1 325 . 1 1 66 66 LEU CD1 C 13 27.317 0.500 . 2 . . . . 565 LEU CD1 . 25425 1 326 . 1 1 66 66 LEU CD2 C 13 25.662 0.500 . 2 . . . . 565 LEU CD2 . 25425 1 327 . 1 1 66 66 LEU N N 15 120.504 0.086 . 1 . . . . 565 LEU N . 25425 1 328 . 1 1 67 67 ALA H H 1 8.073 0.010 . 1 . . . . 566 ALA H . 25425 1 329 . 1 1 67 67 ALA C C 13 176.867 0.500 . 1 . . . . 566 ALA C . 25425 1 330 . 1 1 67 67 ALA CA C 13 52.754 0.500 . 1 . . . . 566 ALA CA . 25425 1 331 . 1 1 67 67 ALA CB C 13 22.078 0.500 . 1 . . . . 566 ALA CB . 25425 1 332 . 1 1 67 67 ALA N N 15 121.521 0.086 . 1 . . . . 566 ALA N . 25425 1 333 . 1 1 68 68 ASN H H 1 8.129 0.010 . 1 . . . . 567 ASN H . 25425 1 334 . 1 1 68 68 ASN C C 13 175.642 0.500 . 1 . . . . 567 ASN C . 25425 1 335 . 1 1 68 68 ASN N N 15 117.571 0.086 . 1 . . . . 567 ASN N . 25425 1 336 . 1 1 69 69 ILE H H 1 7.751 0.010 . 1 . . . . 568 ILE H . 25425 1 337 . 1 1 69 69 ILE C C 13 175.605 0.500 . 1 . . . . 568 ILE C . 25425 1 338 . 1 1 69 69 ILE CA C 13 61.724 0.500 . 1 . . . . 568 ILE CA . 25425 1 339 . 1 1 69 69 ILE CG2 C 13 19.642 0.500 . 1 . . . . 568 ILE CG2 . 25425 1 340 . 1 1 69 69 ILE CD1 C 13 15.541 0.500 . 1 . . . . 568 ILE CD1 . 25425 1 341 . 1 1 69 69 ILE N N 15 117.181 0.086 . 1 . . . . 568 ILE N . 25425 1 342 . 1 1 70 70 LEU H H 1 8.025 0.010 . 1 . . . . 569 LEU H . 25425 1 343 . 1 1 70 70 LEU C C 13 176.626 0.500 . 1 . . . . 569 LEU C . 25425 1 344 . 1 1 70 70 LEU CB C 13 44.182 0.500 . 1 . . . . 569 LEU CB . 25425 1 345 . 1 1 70 70 LEU CG C 13 28.362 0.500 . 1 . . . . 569 LEU CG . 25425 1 346 . 1 1 70 70 LEU CD1 C 13 27.234 0.500 . 2 . . . . 569 LEU CD1 . 25425 1 347 . 1 1 70 70 LEU CD2 C 13 25.618 0.500 . 2 . . . . 569 LEU CD2 . 25425 1 348 . 1 1 70 70 LEU N N 15 122.029 0.086 . 1 . . . . 569 LEU N . 25425 1 349 . 1 1 71 71 LYS H H 1 7.820 0.010 . 1 . . . . 570 LYS H . 25425 1 350 . 1 1 71 71 LYS C C 13 175.788 0.500 . 1 . . . . 570 LYS C . 25425 1 351 . 1 1 71 71 LYS CA C 13 56.858 0.500 . 1 . . . . 570 LYS CA . 25425 1 352 . 1 1 71 71 LYS CB C 13 35.043 0.500 . 1 . . . . 570 LYS CB . 25425 1 353 . 1 1 71 71 LYS CG C 13 26.481 0.500 . 1 . . . . 570 LYS CG . 25425 1 354 . 1 1 71 71 LYS CD C 13 30.895 0.500 . 1 . . . . 570 LYS CD . 25425 1 355 . 1 1 71 71 LYS N N 15 118.612 0.086 . 1 . . . . 570 LYS N . 25425 1 356 . 1 1 72 72 TYR H H 1 7.729 0.010 . 1 . . . . 571 TYR H . 25425 1 357 . 1 1 72 72 TYR C C 13 175.406 0.500 . 1 . . . . 571 TYR C . 25425 1 358 . 1 1 72 72 TYR CA C 13 58.383 0.500 . 1 . . . . 571 TYR CA . 25425 1 359 . 1 1 72 72 TYR CB C 13 40.712 0.500 . 1 . . . . 571 TYR CB . 25425 1 360 . 1 1 72 72 TYR N N 15 117.192 0.086 . 1 . . . . 571 TYR N . 25425 1 361 . 1 1 73 73 HIS H H 1 8.301 0.010 . 1 . . . . 572 HIS H . 25425 1 362 . 1 1 73 73 HIS C C 13 173.871 0.500 . 1 . . . . 572 HIS C . 25425 1 363 . 1 1 73 73 HIS CA C 13 55.698 0.500 . 1 . . . . 572 HIS CA . 25425 1 364 . 1 1 73 73 HIS CB C 13 31.216 0.500 . 1 . . . . 572 HIS CB . 25425 1 365 . 1 1 73 73 HIS N N 15 117.652 0.086 . 1 . . . . 572 HIS N . 25425 1 366 . 1 1 74 74 ILE H H 1 7.900 0.010 . 1 . . . . 573 ILE H . 25425 1 367 . 1 1 74 74 ILE C C 13 175.684 0.500 . 1 . . . . 573 ILE C . 25425 1 368 . 1 1 74 74 ILE CA C 13 61.483 0.500 . 1 . . . . 573 ILE CA . 25425 1 369 . 1 1 74 74 ILE CB C 13 40.937 0.500 . 1 . . . . 573 ILE CB . 25425 1 370 . 1 1 74 74 ILE CG1 C 13 28.322 0.500 . 1 . . . . 573 ILE CG1 . 25425 1 371 . 1 1 74 74 ILE CG2 C 13 19.592 0.500 . 1 . . . . 573 ILE CG2 . 25425 1 372 . 1 1 74 74 ILE CD1 C 13 15.376 0.500 . 1 . . . . 573 ILE CD1 . 25425 1 373 . 1 1 74 74 ILE N N 15 119.140 0.086 . 1 . . . . 573 ILE N . 25425 1 374 . 1 1 75 75 GLY H H 1 8.332 0.010 . 1 . . . . 574 GLY H . 25425 1 375 . 1 1 75 75 GLY C C 13 173.051 0.500 . 1 . . . . 574 GLY C . 25425 1 376 . 1 1 75 75 GLY N N 15 110.787 0.086 . 1 . . . . 574 GLY N . 25425 1 377 . 1 1 76 76 ASP H H 1 8.243 0.010 . 1 . . . . 575 ASP H . 25425 1 378 . 1 1 76 76 ASP N N 15 118.258 0.086 . 1 . . . . 575 ASP N . 25425 1 379 . 1 1 77 77 GLU C C 13 174.925 0.500 . 1 . . . . 576 GLU C . 25425 1 380 . 1 1 78 78 ILE H H 1 8.046 0.010 . 1 . . . . 577 ILE H . 25425 1 381 . 1 1 78 78 ILE C C 13 175.149 0.500 . 1 . . . . 577 ILE C . 25425 1 382 . 1 1 78 78 ILE CA C 13 61.139 0.500 . 1 . . . . 577 ILE CA . 25425 1 383 . 1 1 78 78 ILE CB C 13 40.726 0.500 . 1 . . . . 577 ILE CB . 25425 1 384 . 1 1 78 78 ILE CG2 C 13 19.595 0.500 . 1 . . . . 577 ILE CG2 . 25425 1 385 . 1 1 78 78 ILE CD1 C 13 15.167 0.500 . 1 . . . . 577 ILE CD1 . 25425 1 386 . 1 1 78 78 ILE N N 15 118.230 0.086 . 1 . . . . 577 ILE N . 25425 1 387 . 1 1 79 79 LEU H H 1 8.138 0.010 . 1 . . . . 578 LEU H . 25425 1 388 . 1 1 79 79 LEU C C 13 176.192 0.500 . 1 . . . . 578 LEU C . 25425 1 389 . 1 1 79 79 LEU CA C 13 55.284 0.500 . 1 . . . . 578 LEU CA . 25425 1 390 . 1 1 79 79 LEU CB C 13 44.831 0.500 . 1 . . . . 578 LEU CB . 25425 1 391 . 1 1 79 79 LEU CG C 13 28.365 0.500 . 1 . . . . 578 LEU CG . 25425 1 392 . 1 1 79 79 LEU CD1 C 13 27.282 0.500 . 2 . . . . 578 LEU CD1 . 25425 1 393 . 1 1 79 79 LEU CD2 C 13 25.718 0.500 . 2 . . . . 578 LEU CD2 . 25425 1 394 . 1 1 79 79 LEU N N 15 123.937 0.086 . 1 . . . . 578 LEU N . 25425 1 395 . 1 1 80 80 VAL H H 1 7.731 0.010 . 1 . . . . 579 VAL H . 25425 1 396 . 1 1 80 80 VAL C C 13 175.227 0.500 . 1 . . . . 579 VAL C . 25425 1 397 . 1 1 80 80 VAL CA C 13 61.693 0.500 . 1 . . . . 579 VAL CA . 25425 1 398 . 1 1 80 80 VAL CB C 13 34.914 0.500 . 1 . . . . 579 VAL CB . 25425 1 399 . 1 1 80 80 VAL CG1 C 13 23.398 0.500 . 2 . . . . 579 VAL CG1 . 25425 1 400 . 1 1 80 80 VAL CG2 C 13 22.210 0.500 . 2 . . . . 579 VAL CG2 . 25425 1 401 . 1 1 80 80 VAL N N 15 116.219 0.086 . 1 . . . . 579 VAL N . 25425 1 402 . 1 1 81 81 SER H H 1 8.015 0.010 . 1 . . . . 580 SER H . 25425 1 403 . 1 1 81 81 SER C C 13 174.766 0.500 . 1 . . . . 580 SER C . 25425 1 404 . 1 1 81 81 SER N N 15 117.057 0.086 . 1 . . . . 580 SER N . 25425 1 405 . 1 1 82 82 GLY H H 1 8.193 0.010 . 1 . . . . 581 GLY H . 25425 1 406 . 1 1 82 82 GLY C C 13 173.570 0.500 . 1 . . . . 581 GLY C . 25425 1 407 . 1 1 82 82 GLY CA C 13 46.381 0.500 . 1 . . . . 581 GLY CA . 25425 1 408 . 1 1 82 82 GLY N N 15 108.816 0.086 . 1 . . . . 581 GLY N . 25425 1 409 . 1 1 83 83 GLY H H 1 8.110 0.010 . 1 . . . . 582 GLY H . 25425 1 410 . 1 1 83 83 GLY C C 13 173.435 0.500 . 1 . . . . 582 GLY C . 25425 1 411 . 1 1 83 83 GLY CA C 13 46.175 0.500 . 1 . . . . 582 GLY CA . 25425 1 412 . 1 1 83 83 GLY N N 15 106.586 0.086 . 1 . . . . 582 GLY N . 25425 1 413 . 1 1 84 84 ILE H H 1 7.996 0.010 . 1 . . . . 583 ILE H . 25425 1 414 . 1 1 84 84 ILE C C 13 176.069 0.500 . 1 . . . . 583 ILE C . 25425 1 415 . 1 1 84 84 ILE CA C 13 61.761 0.500 . 1 . . . . 583 ILE CA . 25425 1 416 . 1 1 84 84 ILE CB C 13 40.534 0.500 . 1 . . . . 583 ILE CB . 25425 1 417 . 1 1 84 84 ILE CG1 C 13 28.692 0.500 . 1 . . . . 583 ILE CG1 . 25425 1 418 . 1 1 84 84 ILE CG2 C 13 19.668 0.500 . 1 . . . . 583 ILE CG2 . 25425 1 419 . 1 1 84 84 ILE CD1 C 13 15.353 0.500 . 1 . . . . 583 ILE CD1 . 25425 1 420 . 1 1 84 84 ILE N N 15 117.611 0.086 . 1 . . . . 583 ILE N . 25425 1 421 . 1 1 85 85 GLY H H 1 8.316 0.010 . 1 . . . . 584 GLY H . 25425 1 422 . 1 1 85 85 GLY C C 13 173.197 0.500 . 1 . . . . 584 GLY C . 25425 1 423 . 1 1 85 85 GLY CA C 13 46.468 0.500 . 1 . . . . 584 GLY CA . 25425 1 424 . 1 1 85 85 GLY N N 15 110.441 0.086 . 1 . . . . 584 GLY N . 25425 1 425 . 1 1 86 86 ALA H H 1 7.925 0.010 . 1 . . . . 585 ALA H . 25425 1 426 . 1 1 86 86 ALA C C 13 177.060 0.500 . 1 . . . . 585 ALA C . 25425 1 427 . 1 1 86 86 ALA CA C 13 52.900 0.500 . 1 . . . . 585 ALA CA . 25425 1 428 . 1 1 86 86 ALA CB C 13 22.148 0.500 . 1 . . . . 585 ALA CB . 25425 1 429 . 1 1 86 86 ALA N N 15 121.250 0.086 . 1 . . . . 585 ALA N . 25425 1 430 . 1 1 87 87 LEU H H 1 8.038 0.010 . 1 . . . . 586 LEU H . 25425 1 431 . 1 1 87 87 LEU C C 13 176.662 0.500 . 1 . . . . 586 LEU C . 25425 1 432 . 1 1 87 87 LEU CB C 13 44.316 0.500 . 1 . . . . 586 LEU CB . 25425 1 433 . 1 1 87 87 LEU CG C 13 28.348 0.500 . 1 . . . . 586 LEU CG . 25425 1 434 . 1 1 87 87 LEU CD1 C 13 27.196 0.500 . 2 . . . . 586 LEU CD1 . 25425 1 435 . 1 1 87 87 LEU CD2 C 13 25.787 0.500 . 2 . . . . 586 LEU CD2 . 25425 1 436 . 1 1 87 87 LEU N N 15 119.049 0.086 . 1 . . . . 586 LEU N . 25425 1 437 . 1 1 88 88 VAL H H 1 7.664 0.010 . 1 . . . . 587 VAL H . 25425 1 438 . 1 1 88 88 VAL C C 13 175.576 0.500 . 1 . . . . 587 VAL C . 25425 1 439 . 1 1 88 88 VAL CA C 13 62.468 0.500 . 1 . . . . 587 VAL CA . 25425 1 440 . 1 1 88 88 VAL CB C 13 34.616 0.500 . 1 . . . . 587 VAL CB . 25425 1 441 . 1 1 88 88 VAL CG1 C 13 23.346 0.500 . 2 . . . . 587 VAL CG1 . 25425 1 442 . 1 1 88 88 VAL CG2 C 13 22.590 0.500 . 2 . . . . 587 VAL CG2 . 25425 1 443 . 1 1 88 88 VAL N N 15 115.944 0.086 . 1 . . . . 587 VAL N . 25425 1 444 . 1 1 89 89 ARG H H 1 8.045 0.010 . 1 . . . . 588 ARG H . 25425 1 445 . 1 1 89 89 ARG C C 13 175.874 0.500 . 1 . . . . 588 ARG C . 25425 1 446 . 1 1 89 89 ARG CA C 13 56.833 0.500 . 1 . . . . 588 ARG CA . 25425 1 447 . 1 1 89 89 ARG CB C 13 33.143 0.500 . 1 . . . . 588 ARG CB . 25425 1 448 . 1 1 89 89 ARG CG C 13 29.000 0.500 . 1 . . . . 588 ARG CG . 25425 1 449 . 1 1 89 89 ARG CD C 13 44.667 0.500 . 1 . . . . 588 ARG CD . 25425 1 450 . 1 1 89 89 ARG N N 15 121.869 0.086 . 1 . . . . 588 ARG N . 25425 1 451 . 1 1 90 90 LEU H H 1 7.919 0.010 . 1 . . . . 589 LEU H . 25425 1 452 . 1 1 90 90 LEU C C 13 176.730 0.500 . 1 . . . . 589 LEU C . 25425 1 453 . 1 1 90 90 LEU CA C 13 55.746 0.500 . 1 . . . . 589 LEU CA . 25425 1 454 . 1 1 90 90 LEU CB C 13 44.842 0.500 . 1 . . . . 589 LEU CB . 25425 1 455 . 1 1 90 90 LEU CG C 13 28.404 0.500 . 1 . . . . 589 LEU CG . 25425 1 456 . 1 1 90 90 LEU CD1 C 13 27.341 0.500 . 2 . . . . 589 LEU CD1 . 25425 1 457 . 1 1 90 90 LEU CD2 C 13 25.658 0.500 . 2 . . . . 589 LEU CD2 . 25425 1 458 . 1 1 90 90 LEU N N 15 120.569 0.086 . 1 . . . . 589 LEU N . 25425 1 459 . 1 1 91 91 LYS H H 1 8.030 0.010 . 1 . . . . 590 LYS H . 25425 1 460 . 1 1 91 91 LYS C C 13 176.245 0.500 . 1 . . . . 590 LYS C . 25425 1 461 . 1 1 91 91 LYS CA C 13 57.052 0.500 . 1 . . . . 590 LYS CA . 25425 1 462 . 1 1 91 91 LYS CB C 13 35.037 0.500 . 1 . . . . 590 LYS CB . 25425 1 463 . 1 1 91 91 LYS CG C 13 26.476 0.500 . 1 . . . . 590 LYS CG . 25425 1 464 . 1 1 91 91 LYS CD C 13 30.986 0.500 . 1 . . . . 590 LYS CD . 25425 1 465 . 1 1 91 91 LYS CE C 13 43.112 0.500 . 1 . . . . 590 LYS CE . 25425 1 466 . 1 1 91 91 LYS N N 15 118.902 0.086 . 1 . . . . 590 LYS N . 25425 1 467 . 1 1 92 92 SER H H 1 7.905 0.010 . 1 . . . . 591 SER H . 25425 1 468 . 1 1 92 92 SER C C 13 174.593 0.500 . 1 . . . . 591 SER C . 25425 1 469 . 1 1 92 92 SER CA C 13 59.475 0.500 . 1 . . . . 591 SER CA . 25425 1 470 . 1 1 92 92 SER CB C 13 65.715 0.500 . 1 . . . . 591 SER CB . 25425 1 471 . 1 1 92 92 SER N N 15 114.548 0.086 . 1 . . . . 591 SER N . 25425 1 472 . 1 1 93 93 LEU H H 1 8.021 0.010 . 1 . . . . 592 LEU H . 25425 1 473 . 1 1 93 93 LEU C C 13 176.650 0.500 . 1 . . . . 592 LEU C . 25425 1 474 . 1 1 93 93 LEU CA C 13 55.591 0.500 . 1 . . . . 592 LEU CA . 25425 1 475 . 1 1 93 93 LEU CB C 13 44.453 0.500 . 1 . . . . 592 LEU CB . 25425 1 476 . 1 1 93 93 LEU CG C 13 28.314 0.500 . 1 . . . . 592 LEU CG . 25425 1 477 . 1 1 93 93 LEU CD1 C 13 27.420 0.500 . 2 . . . . 592 LEU CD1 . 25425 1 478 . 1 1 93 93 LEU CD2 C 13 25.602 0.500 . 2 . . . . 592 LEU CD2 . 25425 1 479 . 1 1 93 93 LEU N N 15 121.693 0.086 . 1 . . . . 592 LEU N . 25425 1 480 . 1 1 94 94 GLN H H 1 7.969 0.010 . 1 . . . . 593 GLN H . 25425 1 481 . 1 1 94 94 GLN C C 13 176.066 0.500 . 1 . . . . 593 GLN C . 25425 1 482 . 1 1 94 94 GLN CA C 13 56.776 0.500 . 1 . . . . 593 GLN CA . 25425 1 483 . 1 1 94 94 GLN CB C 13 32.41 0.500 . 1 . . . . 593 GLN CB . 25425 1 484 . 1 1 94 94 GLN CG C 13 35.564 0.500 . 1 . . . . 593 GLN CG . 25425 1 485 . 1 1 94 94 GLN N N 15 118.442 0.086 . 1 . . . . 593 GLN N . 25425 1 486 . 1 1 95 95 GLY H H 1 8.093 0.010 . 1 . . . . 594 GLY H . 25425 1 487 . 1 1 95 95 GLY C C 13 173.221 0.500 . 1 . . . . 594 GLY C . 25425 1 488 . 1 1 95 95 GLY CA C 13 46.103 0.500 . 1 . . . . 594 GLY CA . 25425 1 489 . 1 1 95 95 GLY N N 15 107.114 0.086 . 1 . . . . 594 GLY N . 25425 1 490 . 1 1 96 96 ASP H H 1 8.186 0.010 . 1 . . . . 595 ASP H . 25425 1 491 . 1 1 96 96 ASP C C 13 174.986 0.500 . 1 . . . . 595 ASP C . 25425 1 492 . 1 1 96 96 ASP CA C 13 53.907 0.500 . 1 . . . . 595 ASP CA . 25425 1 493 . 1 1 96 96 ASP CB C 13 40.243 0.500 . 1 . . . . 595 ASP CB . 25425 1 494 . 1 1 96 96 ASP CG C 13 176.063 0.500 . 1 . . . . 595 ASP CG . 25425 1 495 . 1 1 96 96 ASP N N 15 118.068 0.086 . 1 . . . . 595 ASP N . 25425 1 496 . 1 1 97 97 LYS H H 1 7.971 0.010 . 1 . . . . 596 LYS H . 25425 1 497 . 1 1 97 97 LYS C C 13 175.635 0.500 . 1 . . . . 596 LYS C . 25425 1 498 . 1 1 97 97 LYS CA C 13 56.631 0.500 . 1 . . . . 596 LYS CA . 25425 1 499 . 1 1 97 97 LYS CB C 13 35.362 0.500 . 1 . . . . 596 LYS CB . 25425 1 500 . 1 1 97 97 LYS CG C 13 26.349 0.500 . 1 . . . . 596 LYS CG . 25425 1 501 . 1 1 97 97 LYS CD C 13 30.866 0.500 . 1 . . . . 596 LYS CD . 25425 1 502 . 1 1 97 97 LYS CE C 13 43.148 0.500 . 1 . . . . 596 LYS CE . 25425 1 503 . 1 1 97 97 LYS N N 15 118.789 0.086 . 1 . . . . 596 LYS N . 25425 1 504 . 1 1 98 98 LEU H H 1 7.906 0.010 . 1 . . . . 597 LEU H . 25425 1 505 . 1 1 98 98 LEU C C 13 176.512 0.500 . 1 . . . . 597 LEU C . 25425 1 506 . 1 1 98 98 LEU CA C 13 55.402 0.500 . 1 . . . . 597 LEU CA . 25425 1 507 . 1 1 98 98 LEU CB C 13 44.893 0.500 . 1 . . . . 597 LEU CB . 25425 1 508 . 1 1 98 98 LEU CG C 13 28.365 0.500 . 1 . . . . 597 LEU CG . 25425 1 509 . 1 1 98 98 LEU CD1 C 13 27.273 0.500 . 2 . . . . 597 LEU CD1 . 25425 1 510 . 1 1 98 98 LEU CD2 C 13 25.890 0.500 . 2 . . . . 597 LEU CD2 . 25425 1 511 . 1 1 98 98 LEU N N 15 119.843 0.086 . 1 . . . . 597 LEU N . 25425 1 512 . 1 1 99 99 GLU H H 1 8.087 0.010 . 1 . . . . 598 GLU H . 25425 1 513 . 1 1 99 99 GLU C C 13 175.313 0.500 . 1 . . . . 598 GLU C . 25425 1 514 . 1 1 99 99 GLU CA C 13 56.209 0.500 . 1 . . . . 598 GLU CA . 25425 1 515 . 1 1 99 99 GLU CG C 13 34.519 0.500 . 1 . . . . 598 GLU CG . 25425 1 516 . 1 1 99 99 GLU N N 15 119.442 0.086 . 1 . . . . 598 GLU N . 25425 1 517 . 1 1 100 100 VAL H H 1 7.642 0.010 . 1 . . . . 599 VAL H . 25425 1 518 . 1 1 100 100 VAL C C 13 175.119 0.500 . 1 . . . . 599 VAL C . 25425 1 519 . 1 1 100 100 VAL CA C 13 61.538 0.500 . 1 . . . . 599 VAL CA . 25425 1 520 . 1 1 100 100 VAL CB C 13 35.094 0.500 . 1 . . . . 599 VAL CB . 25425 1 521 . 1 1 100 100 VAL CG1 C 13 23.372 0.500 . 2 . . . . 599 VAL CG1 . 25425 1 522 . 1 1 100 100 VAL CG2 C 13 22.093 0.500 . 2 . . . . 599 VAL CG2 . 25425 1 523 . 1 1 100 100 VAL N N 15 115.870 0.086 . 1 . . . . 599 VAL N . 25425 1 524 . 1 1 101 101 SER H H 1 8.068 0.010 . 1 . . . . 600 SER H . 25425 1 525 . 1 1 101 101 SER C C 13 174.589 0.500 . 1 . . . . 600 SER C . 25425 1 526 . 1 1 101 101 SER CA C 13 59.013 0.500 . 1 . . . . 600 SER CA . 25425 1 527 . 1 1 101 101 SER CB C 13 65.895 0.500 . 1 . . . . 600 SER CB . 25425 1 528 . 1 1 101 101 SER N N 15 117.377 0.086 . 1 . . . . 600 SER N . 25425 1 529 . 1 1 102 102 LEU H H 1 8.072 0.010 . 1 . . . . 601 LEU H . 25425 1 530 . 1 1 102 102 LEU C C 13 176.401 0.500 . 1 . . . . 601 LEU C . 25425 1 531 . 1 1 102 102 LEU CA C 13 55.505 0.500 . 1 . . . . 601 LEU CA . 25425 1 532 . 1 1 102 102 LEU CB C 13 44.600 0.500 . 1 . . . . 601 LEU CB . 25425 1 533 . 1 1 102 102 LEU CG C 13 28.254 0.500 . 1 . . . . 601 LEU CG . 25425 1 534 . 1 1 102 102 LEU CD1 C 13 27.415 0.500 . 2 . . . . 601 LEU CD1 . 25425 1 535 . 1 1 102 102 LEU CD2 C 13 25.592 0.500 . 2 . . . . 601 LEU CD2 . 25425 1 536 . 1 1 102 102 LEU N N 15 122.471 0.086 . 1 . . . . 601 LEU N . 25425 1 537 . 1 1 103 103 LYS H H 1 7.912 0.010 . 1 . . . . 602 LYS H . 25425 1 538 . 1 1 103 103 LYS C C 13 175.634 0.500 . 1 . . . . 602 LYS C . 25425 1 539 . 1 1 103 103 LYS CA C 13 56.514 0.500 . 1 . . . . 602 LYS CA . 25425 1 540 . 1 1 103 103 LYS CB C 13 35.323 0.500 . 1 . . . . 602 LYS CB . 25425 1 541 . 1 1 103 103 LYS CG C 13 26.133 0.500 . 1 . . . . 602 LYS CG . 25425 1 542 . 1 1 103 103 LYS CD C 13 30.966 0.500 . 1 . . . . 602 LYS CD . 25425 1 543 . 1 1 103 103 LYS CE C 13 43.079 0.500 . 1 . . . . 602 LYS CE . 25425 1 544 . 1 1 103 103 LYS N N 15 118.330 0.086 . 1 . . . . 602 LYS N . 25425 1 545 . 1 1 104 104 ASN H H 1 8.080 0.010 . 1 . . . . 603 ASN H . 25425 1 546 . 1 1 104 104 ASN C C 13 175.197 0.500 . 1 . . . . 603 ASN C . 25425 1 547 . 1 1 104 104 ASN CA C 13 54.017 0.500 . 1 . . . . 603 ASN CA . 25425 1 548 . 1 1 104 104 ASN CB C 13 41.563 0.500 . 1 . . . . 603 ASN CB . 25425 1 549 . 1 1 104 104 ASN N N 15 118.434 0.086 . 1 . . . . 603 ASN N . 25425 1 550 . 1 1 105 105 ASN H H 1 8.135 0.010 . 1 . . . . 604 ASN H . 25425 1 551 . 1 1 105 105 ASN C C 13 175.061 0.500 . 1 . . . . 604 ASN C . 25425 1 552 . 1 1 105 105 ASN CA C 13 54.044 0.500 . 1 . . . . 604 ASN CA . 25425 1 553 . 1 1 105 105 ASN CB C 13 41.133 0.500 . 1 . . . . 604 ASN CB . 25425 1 554 . 1 1 105 105 ASN N N 15 118.391 0.086 . 1 . . . . 604 ASN N . 25425 1 555 . 1 1 106 106 VAL H H 1 7.707 0.010 . 1 . . . . 605 VAL H . 25425 1 556 . 1 1 106 106 VAL C C 13 175.174 0.500 . 1 . . . . 605 VAL C . 25425 1 557 . 1 1 106 106 VAL CA C 13 62.217 0.500 . 1 . . . . 605 VAL CA . 25425 1 558 . 1 1 106 106 VAL CB C 13 34.533 0.500 . 1 . . . . 605 VAL CB . 25425 1 559 . 1 1 106 106 VAL CG1 C 13 23.596 0.500 . 2 . . . . 605 VAL CG1 . 25425 1 560 . 1 1 106 106 VAL CG2 C 13 22.341 0.500 . 2 . . . . 605 VAL CG2 . 25425 1 561 . 1 1 106 106 VAL N N 15 115.258 0.086 . 1 . . . . 605 VAL N . 25425 1 562 . 1 1 107 107 VAL H H 1 7.842 0.010 . 1 . . . . 606 VAL H . 25425 1 563 . 1 1 107 107 VAL C C 13 175.296 0.500 . 1 . . . . 606 VAL C . 25425 1 564 . 1 1 107 107 VAL CA C 13 62.049 0.500 . 1 . . . . 606 VAL CA . 25425 1 565 . 1 1 107 107 VAL CB C 13 34.670 0.500 . 1 . . . . 606 VAL CB . 25425 1 566 . 1 1 107 107 VAL CG1 C 13 23.492 0.500 . 2 . . . . 606 VAL CG1 . 25425 1 567 . 1 1 107 107 VAL CG2 C 13 22.461 0.500 . 2 . . . . 606 VAL CG2 . 25425 1 568 . 1 1 107 107 VAL N N 15 118.360 0.086 . 1 . . . . 606 VAL N . 25425 1 569 . 1 1 108 108 SER H H 1 7.980 0.010 . 1 . . . . 607 SER H . 25425 1 570 . 1 1 108 108 SER C C 13 174.401 0.500 . 1 . . . . 607 SER C . 25425 1 571 . 1 1 108 108 SER CA C 13 59.080 0.500 . 1 . . . . 607 SER CA . 25425 1 572 . 1 1 108 108 SER CB C 13 65.809 0.500 . 1 . . . . 607 SER CB . 25425 1 573 . 1 1 108 108 SER N N 15 117.494 0.086 . 1 . . . . 607 SER N . 25425 1 574 . 1 1 109 109 VAL H H 1 7.761 0.010 . 1 . . . . 608 VAL H . 25425 1 575 . 1 1 109 109 VAL C C 13 175.063 0.500 . 1 . . . . 608 VAL C . 25425 1 576 . 1 1 109 109 VAL CA C 13 61.791 0.500 . 1 . . . . 608 VAL CA . 25425 1 577 . 1 1 109 109 VAL CB C 13 34.849 0.500 . 1 . . . . 608 VAL CB . 25425 1 578 . 1 1 109 109 VAL CG1 C 13 23.372 0.500 . 2 . . . . 608 VAL CG1 . 25425 1 579 . 1 1 109 109 VAL CG2 C 13 22.031 0.500 . 2 . . . . 608 VAL CG2 . 25425 1 580 . 1 1 109 109 VAL N N 15 117.140 0.086 . 1 . . . . 608 VAL N . 25425 1 581 . 1 1 110 110 ASN H H 1 8.178 0.010 . 1 . . . . 609 ASN H . 25425 1 582 . 1 1 110 110 ASN C C 13 175.140 0.500 . 1 . . . . 609 ASN C . 25425 1 583 . 1 1 110 110 ASN CA C 13 56.347 0.500 . 1 . . . . 609 ASN CA . 25425 1 584 . 1 1 110 110 ASN CB C 13 41.13 0.500 . 1 . . . . 609 ASN CB . 25425 1 585 . 1 1 110 110 ASN N N 15 121.093 0.086 . 1 . . . . 609 ASN N . 25425 1 586 . 1 1 111 111 LYS H H 1 7.905 0.010 . 1 . . . . 610 LYS H . 25425 1 587 . 1 1 111 111 LYS C C 13 175.671 0.500 . 1 . . . . 610 LYS C . 25425 1 588 . 1 1 111 111 LYS CA C 13 56.254 0.500 . 1 . . . . 610 LYS CA . 25425 1 589 . 1 1 111 111 LYS CB C 13 35.496 0.500 . 1 . . . . 610 LYS CB . 25425 1 590 . 1 1 111 111 LYS CD C 13 26.331 0.500 . 1 . . . . 610 LYS CD . 25425 1 591 . 1 1 111 111 LYS CE C 13 43.017 0.500 . 1 . . . . 610 LYS CE . 25425 1 592 . 1 1 111 111 LYS N N 15 118.732 0.086 . 1 . . . . 610 LYS N . 25425 1 593 . 1 1 112 112 GLU H H 1 8.039 0.010 . 1 . . . . 611 GLU H . 25425 1 594 . 1 1 112 112 GLU C C 13 174.045 0.500 . 1 . . . . 611 GLU C . 25425 1 595 . 1 1 112 112 GLU N N 15 119.408 0.086 . 1 . . . . 611 GLU N . 25425 1 596 . 1 1 113 113 PRO C C 13 175.680 0.500 . 1 . . . . 612 PRO C . 25425 1 597 . 1 1 113 113 PRO CA C 13 63.472 0.500 . 1 . . . . 612 PRO CA . 25425 1 598 . 1 1 113 113 PRO CB C 13 33.361 0.500 . 1 . . . . 612 PRO CB . 25425 1 599 . 1 1 113 113 PRO CG C 13 28.821 0.500 . 1 . . . . 612 PRO CG . 25425 1 600 . 1 1 113 113 PRO CD C 13 51.134 0.500 . 1 . . . . 612 PRO CD . 25425 1 601 . 1 1 114 114 VAL H H 1 7.820 0.010 . 1 . . . . 613 VAL H . 25425 1 602 . 1 1 114 114 VAL C C 13 174.946 0.500 . 1 . . . . 613 VAL C . 25425 1 603 . 1 1 114 114 VAL CA C 13 61.664 0.500 . 1 . . . . 613 VAL CA . 25425 1 604 . 1 1 114 114 VAL CB C 13 34.916 0.500 . 1 . . . . 613 VAL CB . 25425 1 605 . 1 1 114 114 VAL CG1 C 13 22.496 0.500 . 1 . . . . 613 VAL CG1 . 25425 1 606 . 1 1 114 114 VAL N N 15 115.436 0.086 . 1 . . . . 613 VAL N . 25425 1 607 . 1 1 115 115 ALA H H 1 8.013 0.010 . 1 . . . . 614 ALA H . 25425 1 608 . 1 1 115 115 ALA C C 13 176.410 0.500 . 1 . . . . 614 ALA C . 25425 1 609 . 1 1 115 115 ALA CA C 13 52.241 0.500 . 1 . . . . 614 ALA CA . 25425 1 610 . 1 1 115 115 ALA CB C 13 22.276 0.500 . 1 . . . . 614 ALA CB . 25425 1 611 . 1 1 115 115 ALA N N 15 124.166 0.086 . 1 . . . . 614 ALA N . 25425 1 612 . 1 1 116 116 GLU H H 1 8.030 0.010 . 1 . . . . 615 GLU H . 25425 1 613 . 1 1 116 116 GLU C C 13 173.973 0.500 . 1 . . . . 615 GLU C . 25425 1 614 . 1 1 116 116 GLU N N 15 118.261 0.086 . 1 . . . . 615 GLU N . 25425 1 615 . 1 1 117 117 PRO C C 13 176.105 0.500 . 1 . . . . 616 PRO C . 25425 1 616 . 1 1 117 117 PRO CA C 13 63.567 0.500 . 1 . . . . 616 PRO CA . 25425 1 617 . 1 1 117 117 PRO CB C 13 33.479 0.500 . 1 . . . . 616 PRO CB . 25425 1 618 . 1 1 117 117 PRO CG C 13 28.563 0.500 . 1 . . . . 616 PRO CG . 25425 1 619 . 1 1 117 117 PRO CD C 13 51.097 0.500 . 1 . . . . 616 PRO CD . 25425 1 620 . 1 1 118 118 ASP H H 1 8.290 0.010 . 1 . . . . 617 ASP H . 25425 1 621 . 1 1 118 118 ASP C C 13 174.769 0.500 . 1 . . . . 617 ASP C . 25425 1 622 . 1 1 118 118 ASP CA C 13 53.846 0.500 . 1 . . . . 617 ASP CA . 25425 1 623 . 1 1 118 118 ASP CG C 13 176.103 0.500 . 1 . . . . 617 ASP CG . 25425 1 624 . 1 1 118 118 ASP N N 15 117.427 0.086 . 1 . . . . 617 ASP N . 25425 1 625 . 1 1 119 119 ILE H H 1 7.524 0.010 . 1 . . . . 618 ILE H . 25425 1 626 . 1 1 119 119 ILE C C 13 175.070 0.500 . 1 . . . . 618 ILE C . 25425 1 627 . 1 1 119 119 ILE CA C 13 61.162 0.500 . 1 . . . . 618 ILE CA . 25425 1 628 . 1 1 119 119 ILE CB C 13 41.028 0.500 . 1 . . . . 618 ILE CB . 25425 1 629 . 1 1 119 119 ILE CG2 C 13 19.543 0.500 . 1 . . . . 618 ILE CG2 . 25425 1 630 . 1 1 119 119 ILE CD1 C 13 15.368 0.500 . 1 . . . . 618 ILE CD1 . 25425 1 631 . 1 1 119 119 ILE N N 15 116.389 0.086 . 1 . . . . 618 ILE N . 25425 1 632 . 1 1 120 120 MET H H 1 8.059 0.010 . 1 . . . . 619 MET H . 25425 1 633 . 1 1 120 120 MET C C 13 175.036 0.500 . 1 . . . . 619 MET C . 25425 1 634 . 1 1 120 120 MET CA C 13 56.081 0.500 . 1 . . . . 619 MET CA . 25425 1 635 . 1 1 120 120 MET CB C 13 33.743 0.500 . 1 . . . . 619 MET CB . 25425 1 636 . 1 1 120 120 MET N N 15 120.996 0.086 . 1 . . . . 619 MET N . 25425 1 637 . 1 1 121 121 ALA H H 1 8.028 0.010 . 1 . . . . 620 ALA H . 25425 1 638 . 1 1 121 121 ALA C C 13 176.829 0.500 . 1 . . . . 620 ALA C . 25425 1 639 . 1 1 121 121 ALA CA C 13 52.545 0.500 . 1 . . . . 620 ALA CA . 25425 1 640 . 1 1 121 121 ALA CB C 13 21.998 0.500 . 1 . . . . 620 ALA CB . 25425 1 641 . 1 1 121 121 ALA N N 15 122.736 0.086 . 1 . . . . 620 ALA N . 25425 1 642 . 1 1 122 122 THR H H 1 7.796 0.010 . 1 . . . . 621 THR H . 25425 1 643 . 1 1 122 122 THR C C 13 174.196 0.500 . 1 . . . . 621 THR C . 25425 1 644 . 1 1 122 122 THR CA C 13 62.184 0.500 . 1 . . . . 621 THR CA . 25425 1 645 . 1 1 122 122 THR CG2 C 13 23.572 0.500 . 1 . . . . 621 THR CG2 . 25425 1 646 . 1 1 122 122 THR N N 15 110.873 0.086 . 1 . . . . 621 THR N . 25425 1 647 . 1 1 123 123 ASN H H 1 8.110 0.010 . 1 . . . . 622 ASN H . 25425 1 648 . 1 1 123 123 ASN C C 13 175.509 0.500 . 1 . . . . 622 ASN C . 25425 1 649 . 1 1 123 123 ASN N N 15 119.257 0.086 . 1 . . . . 622 ASN N . 25425 1 650 . 1 1 124 124 GLY H H 1 8.079 0.010 . 1 . . . . 623 GLY H . 25425 1 651 . 1 1 124 124 GLY C C 13 172.893 0.500 . 1 . . . . 623 GLY C . 25425 1 652 . 1 1 124 124 GLY CA C 13 46.464 0.500 . 1 . . . . 623 GLY CA . 25425 1 653 . 1 1 124 124 GLY N N 15 106.287 0.086 . 1 . . . . 623 GLY N . 25425 1 654 . 1 1 125 125 VAL H H 1 7.698 0.010 . 1 . . . . 624 VAL H . 25425 1 655 . 1 1 125 125 VAL C C 13 175.364 0.500 . 1 . . . . 624 VAL C . 25425 1 656 . 1 1 125 125 VAL CA C 13 61.999 0.500 . 1 . . . . 624 VAL CA . 25425 1 657 . 1 1 125 125 VAL CB C 13 34.629 0.500 . 1 . . . . 624 VAL CB . 25425 1 658 . 1 1 125 125 VAL CG1 C 13 23.372 0.500 . 1 . . . . 624 VAL CG1 . 25425 1 659 . 1 1 125 125 VAL CG2 C 13 22.570 0.500 . 1 . . . . 624 VAL CG2 . 25425 1 660 . 1 1 125 125 VAL N N 15 115.528 0.086 . 1 . . . . 624 VAL N . 25425 1 661 . 1 1 126 126 VAL H H 1 7.935 0.010 . 1 . . . . 625 VAL H . 25425 1 662 . 1 1 126 126 VAL C C 13 175.299 0.500 . 1 . . . . 625 VAL C . 25425 1 663 . 1 1 126 126 VAL CA C 13 62.363 0.500 . 1 . . . . 625 VAL CA . 25425 1 664 . 1 1 126 126 VAL CB C 13 34.345 0.500 . 1 . . . . 625 VAL CB . 25425 1 665 . 1 1 126 126 VAL CG1 C 13 23.389 0.500 . 2 . . . . 625 VAL CG1 . 25425 1 666 . 1 1 126 126 VAL CG2 C 13 22.710 0.500 . 2 . . . . 625 VAL CG2 . 25425 1 667 . 1 1 126 126 VAL N N 15 120.017 0.086 . 1 . . . . 625 VAL N . 25425 1 668 . 1 1 127 127 HIS H H 1 8.323 0.010 . 1 . . . . 626 HIS H . 25425 1 669 . 1 1 127 127 HIS C C 13 173.978 0.500 . 1 . . . . 626 HIS C . 25425 1 670 . 1 1 127 127 HIS CA C 13 55.416 0.500 . 1 . . . . 626 HIS CA . 25425 1 671 . 1 1 127 127 HIS CB C 13 31.382 0.500 . 1 . . . . 626 HIS CB . 25425 1 672 . 1 1 127 127 HIS N N 15 120.867 0.086 . 1 . . . . 626 HIS N . 25425 1 673 . 1 1 128 128 VAL H H 1 7.870 0.010 . 1 . . . . 627 VAL H . 25425 1 674 . 1 1 128 128 VAL C C 13 175.270 0.500 . 1 . . . . 627 VAL C . 25425 1 675 . 1 1 128 128 VAL CA C 13 62.019 0.500 . 1 . . . . 627 VAL CA . 25425 1 676 . 1 1 128 128 VAL CB C 13 34.916 0.500 . 1 . . . . 627 VAL CB . 25425 1 677 . 1 1 128 128 VAL CG1 C 13 23.381 0.500 . 2 . . . . 627 VAL CG1 . 25425 1 678 . 1 1 128 128 VAL CG2 C 13 22.298 0.500 . 2 . . . . 627 VAL CG2 . 25425 1 679 . 1 1 128 128 VAL N N 15 117.835 0.086 . 1 . . . . 627 VAL N . 25425 1 680 . 1 1 129 129 ILE H H 1 8.143 0.010 . 1 . . . . 628 ILE H . 25425 1 681 . 1 1 129 129 ILE C C 13 175.305 0.500 . 1 . . . . 628 ILE C . 25425 1 682 . 1 1 129 129 ILE CA C 13 61.403 0.500 . 1 . . . . 628 ILE CA . 25425 1 683 . 1 1 129 129 ILE CB C 13 40.325 0.500 . 1 . . . . 628 ILE CB . 25425 1 684 . 1 1 129 129 ILE CG1 C 13 28.740 0.500 . 1 . . . . 628 ILE CG1 . 25425 1 685 . 1 1 129 129 ILE CG2 C 13 19.644 0.500 . 1 . . . . 628 ILE CG2 . 25425 1 686 . 1 1 129 129 ILE CD1 C 13 15.238 0.500 . 1 . . . . 628 ILE CD1 . 25425 1 687 . 1 1 129 129 ILE N N 15 121.601 0.086 . 1 . . . . 628 ILE N . 25425 1 688 . 1 1 130 130 THR H H 1 7.776 0.010 . 1 . . . . 629 THR H . 25425 1 689 . 1 1 130 130 THR C C 13 173.947 0.500 . 1 . . . . 629 THR C . 25425 1 690 . 1 1 130 130 THR CA C 13 62.012 0.500 . 1 . . . . 629 THR CA . 25425 1 691 . 1 1 130 130 THR CB C 13 71.550 0.500 . 1 . . . . 629 THR CB . 25425 1 692 . 1 1 130 130 THR CG2 C 13 23.380 0.500 . 1 . . . . 629 THR CG2 . 25425 1 693 . 1 1 130 130 THR N N 15 115.228 0.086 . 1 . . . . 629 THR N . 25425 1 694 . 1 1 131 131 ASN H H 1 8.018 0.010 . 1 . . . . 630 ASN H . 25425 1 695 . 1 1 131 131 ASN C C 13 175.244 0.500 . 1 . . . . 630 ASN C . 25425 1 696 . 1 1 131 131 ASN CA C 13 53.965 0.500 . 1 . . . . 630 ASN CA . 25425 1 697 . 1 1 131 131 ASN CB C 13 41.119 0.500 . 1 . . . . 630 ASN CB . 25425 1 698 . 1 1 131 131 ASN N N 15 120.150 0.086 . 1 . . . . 630 ASN N . 25425 1 699 . 1 1 132 132 VAL H H 1 7.806 0.010 . 1 . . . . 631 VAL H . 25425 1 700 . 1 1 132 132 VAL C C 13 174.934 0.500 . 1 . . . . 631 VAL C . 25425 1 701 . 1 1 132 132 VAL CA C 13 62.260 0.500 . 1 . . . . 631 VAL CA . 25425 1 702 . 1 1 132 132 VAL CB C 13 34.381 0.500 . 1 . . . . 631 VAL CB . 25425 1 703 . 1 1 132 132 VAL CG1 C 13 23.501 0.500 . 2 . . . . 631 VAL CG1 . 25425 1 704 . 1 1 132 132 VAL CG2 C 13 22.045 0.500 . 2 . . . . 631 VAL CG2 . 25425 1 705 . 1 1 132 132 VAL N N 15 115.740 0.086 . 1 . . . . 631 VAL N . 25425 1 706 . 1 1 133 133 LEU H H 1 7.953 0.010 . 1 . . . . 632 LEU H . 25425 1 707 . 1 1 133 133 LEU C C 13 176.136 0.500 . 1 . . . . 632 LEU C . 25425 1 708 . 1 1 133 133 LEU CB C 13 44.625 0.500 . 1 . . . . 632 LEU CB . 25425 1 709 . 1 1 133 133 LEU CG C 13 28.296 0.500 . 1 . . . . 632 LEU CG . 25425 1 710 . 1 1 133 133 LEU CD1 C 13 27.420 0.500 . 2 . . . . 632 LEU CD1 . 25425 1 711 . 1 1 133 133 LEU CD2 C 13 25.489 0.500 . 2 . . . . 632 LEU CD2 . 25425 1 712 . 1 1 133 133 LEU N N 15 121.299 0.086 . 1 . . . . 632 LEU N . 25425 1 713 . 1 1 134 134 GLN H H 1 7.866 0.010 . 1 . . . . 633 GLN H . 25425 1 714 . 1 1 134 134 GLN C C 13 173.701 0.500 . 1 . . . . 633 GLN C . 25425 1 715 . 1 1 134 134 GLN N N 15 119.496 0.086 . 1 . . . . 633 GLN N . 25425 1 716 . 1 1 136 136 PRO C C 13 176.103 0.500 . 1 . . . . 635 PRO C . 25425 1 717 . 1 1 136 136 PRO CA C 13 63.573 0.500 . 1 . . . . 635 PRO CA . 25425 1 718 . 1 1 136 136 PRO CB C 13 33.159 0.500 . 1 . . . . 635 PRO CB . 25425 1 719 . 1 1 136 136 PRO CG C 13 28.760 0.500 . 1 . . . . 635 PRO CG . 25425 1 720 . 1 1 136 136 PRO CD C 13 51.033 0.500 . 1 . . . . 635 PRO CD . 25425 1 721 . 1 1 137 137 ALA H H 1 8.124 0.010 . 1 . . . . 636 ALA H . 25425 1 722 . 1 1 137 137 ALA C C 13 176.543 0.500 . 1 . . . . 636 ALA C . 25425 1 723 . 1 1 137 137 ALA CA C 13 52.840 0.500 . 1 . . . . 636 ALA CA . 25425 1 724 . 1 1 137 137 ALA CB C 13 21.924 0.500 . 1 . . . . 636 ALA CB . 25425 1 725 . 1 1 137 137 ALA N N 15 120.586 0.086 . 1 . . . . 636 ALA N . 25425 1 726 . 1 1 138 138 ASN H H 1 8.004 0.010 . 1 . . . . 637 ASN H . 25425 1 727 . 1 1 138 138 ASN C C 13 175.014 0.500 . 1 . . . . 637 ASN C . 25425 1 728 . 1 1 138 138 ASN CA C 13 53.603 0.500 . 1 . . . . 637 ASN CA . 25425 1 729 . 1 1 138 138 ASN CB C 13 40.877 0.500 . 1 . . . . 637 ASN CB . 25425 1 730 . 1 1 138 138 ASN N N 15 116.117 0.086 . 1 . . . . 637 ASN N . 25425 1 731 . 1 1 139 139 ARG H H 1 7.817 0.010 . 1 . . . . 638 ARG H . 25425 1 732 . 1 1 139 139 ARG N N 15 118.542 0.086 . 1 . . . . 638 ARG N . 25425 1 733 . 1 1 140 140 PRO C C 13 176.174 0.500 . 1 . . . . 639 PRO C . 25425 1 734 . 1 1 140 140 PRO CA C 13 63.817 0.500 . 1 . . . . 639 PRO CA . 25425 1 735 . 1 1 140 140 PRO CB C 13 33.312 0.500 . 1 . . . . 639 PRO CB . 25425 1 736 . 1 1 140 140 PRO CG C 13 28.787 0.500 . 1 . . . . 639 PRO CG . 25425 1 737 . 1 1 140 140 PRO CD C 13 51.217 0.500 . 1 . . . . 639 PRO CD . 25425 1 738 . 1 1 141 141 GLN H H 1 8.211 0.010 . 1 . . . . 640 GLN H . 25425 1 739 . 1 1 141 141 GLN C C 13 175.776 0.500 . 1 . . . . 640 GLN C . 25425 1 740 . 1 1 141 141 GLN CA C 13 56.583 0.500 . 1 . . . . 640 GLN CA . 25425 1 741 . 1 1 141 141 GLN CG C 13 35.685 0.500 . 1 . . . . 640 GLN CG . 25425 1 742 . 1 1 141 141 GLN N N 15 118.462 0.086 . 1 . . . . 640 GLN N . 25425 1 743 . 1 1 142 142 GLU H H 1 7.936 0.010 . 1 . . . . 641 GLU H . 25425 1 744 . 1 1 142 142 GLU C C 13 175.460 0.500 . 1 . . . . 641 GLU C . 25425 1 745 . 1 1 142 142 GLU CA C 13 56.135 0.500 . 1 . . . . 641 GLU CA . 25425 1 746 . 1 1 142 142 GLU CB C 13 31.134 0.500 . 1 . . . . 641 GLU CB . 25425 1 747 . 1 1 142 142 GLU CG C 13 34.369 0.500 . 1 . . . . 641 GLU CG . 25425 1 748 . 1 1 142 142 GLU N N 15 118.736 0.086 . 1 . . . . 641 GLU N . 25425 1 749 . 1 1 143 143 ARG H H 1 8.039 0.010 . 1 . . . . 642 ARG H . 25425 1 750 . 1 1 143 143 ARG C C 13 175.950 0.500 . 1 . . . . 642 ARG C . 25425 1 751 . 1 1 143 143 ARG CA C 13 56.363 0.500 . 1 . . . . 642 ARG CA . 25425 1 752 . 1 1 143 143 ARG CB C 13 33.359 0.500 . 1 . . . . 642 ARG CB . 25425 1 753 . 1 1 143 143 ARG CG C 13 28.801 0.500 . 1 . . . . 642 ARG CG . 25425 1 754 . 1 1 143 143 ARG N N 15 119.697 0.086 . 1 . . . . 642 ARG N . 25425 1 755 . 1 1 144 144 GLY H H 1 8.216 0.010 . 1 . . . . 643 GLY H . 25425 1 756 . 1 1 144 144 GLY C C 13 173.032 0.500 . 1 . . . . 643 GLY C . 25425 1 757 . 1 1 144 144 GLY CA C 13 45.997 0.500 . 1 . . . . 643 GLY CA . 25425 1 758 . 1 1 144 144 GLY N N 15 107.583 0.086 . 1 . . . . 643 GLY N . 25425 1 759 . 1 1 145 145 ASP H H 1 8.265 0.010 . 1 . . . . 644 ASP H . 25425 1 760 . 1 1 145 145 ASP C C 13 175.029 0.500 . 1 . . . . 644 ASP C . 25425 1 761 . 1 1 145 145 ASP CA C 13 53.649 0.500 . 1 . . . . 644 ASP CA . 25425 1 762 . 1 1 145 145 ASP CB C 13 40.612 0.500 . 1 . . . . 644 ASP CB . 25425 1 763 . 1 1 145 145 ASP N N 15 117.928 0.086 . 1 . . . . 644 ASP N . 25425 1 764 . 1 1 146 146 GLU H H 1 8.051 0.010 . 1 . . . . 645 GLU H . 25425 1 765 . 1 1 146 146 GLU C C 13 175.291 0.500 . 1 . . . . 645 GLU C . 25425 1 766 . 1 1 146 146 GLU CA C 13 56.471 0.500 . 1 . . . . 645 GLU CA . 25425 1 767 . 1 1 146 146 GLU CB C 13 30.910 0.500 . 1 . . . . 645 GLU CB . 25425 1 768 . 1 1 146 146 GLU CG C 13 34.375 0.500 . 1 . . . . 645 GLU CG . 25425 1 769 . 1 1 146 146 GLU N N 15 118.340 0.086 . 1 . . . . 645 GLU N . 25425 1 770 . 1 1 147 147 LEU H H 1 7.888 0.010 . 1 . . . . 646 LEU H . 25425 1 771 . 1 1 147 147 LEU C C 13 176.159 0.500 . 1 . . . . 646 LEU C . 25425 1 772 . 1 1 147 147 LEU CA C 13 55.187 0.500 . 1 . . . . 646 LEU CA . 25425 1 773 . 1 1 147 147 LEU CB C 13 44.550 0.500 . 1 . . . . 646 LEU CB . 25425 1 774 . 1 1 147 147 LEU CG C 13 28.271 0.500 . 1 . . . . 646 LEU CG . 25425 1 775 . 1 1 147 147 LEU CD1 C 13 27.343 0.500 . 2 . . . . 646 LEU CD1 . 25425 1 776 . 1 1 147 147 LEU CD2 C 13 25.710 0.500 . 2 . . . . 646 LEU CD2 . 25425 1 777 . 1 1 147 147 LEU N N 15 119.904 0.086 . 1 . . . . 646 LEU N . 25425 1 778 . 1 1 148 148 ALA H H 1 8.019 0.010 . 1 . . . . 647 ALA H . 25425 1 779 . 1 1 148 148 ALA C C 13 176.817 0.500 . 1 . . . . 647 ALA C . 25425 1 780 . 1 1 148 148 ALA CA C 13 52.506 0.500 . 1 . . . . 647 ALA CA . 25425 1 781 . 1 1 148 148 ALA CB C 13 22.148 0.500 . 1 . . . . 647 ALA CB . 25425 1 782 . 1 1 148 148 ALA N N 15 121.735 0.086 . 1 . . . . 647 ALA N . 25425 1 783 . 1 1 149 149 ASP H H 1 8.197 0.010 . 1 . . . . 648 ASP H . 25425 1 784 . 1 1 149 149 ASP C C 13 175.088 0.500 . 1 . . . . 648 ASP C . 25425 1 785 . 1 1 149 149 ASP CA C 13 53.825 0.500 . 1 . . . . 648 ASP CA . 25425 1 786 . 1 1 149 149 ASP CB C 13 40.062 0.500 . 1 . . . . 648 ASP CB . 25425 1 787 . 1 1 149 149 ASP N N 15 117.232 0.086 . 1 . . . . 648 ASP N . 25425 1 788 . 1 1 150 150 SER H H 1 7.779 0.010 . 1 . . . . 649 SER H . 25425 1 789 . 1 1 150 150 SER C C 13 174.186 0.500 . 1 . . . . 649 SER C . 25425 1 790 . 1 1 150 150 SER CA C 13 59.436 0.500 . 1 . . . . 649 SER CA . 25425 1 791 . 1 1 150 150 SER CB C 13 65.775 0.500 . 1 . . . . 649 SER CB . 25425 1 792 . 1 1 150 150 SER N N 15 113.722 0.086 . 1 . . . . 649 SER N . 25425 1 793 . 1 1 151 151 ALA H H 1 8.064 0.010 . 1 . . . . 650 ALA H . 25425 1 794 . 1 1 151 151 ALA C C 13 176.544 0.500 . 1 . . . . 650 ALA C . 25425 1 795 . 1 1 151 151 ALA CB C 13 21.930 0.500 . 1 . . . . 650 ALA CB . 25425 1 796 . 1 1 151 151 ALA N N 15 123.290 0.086 . 1 . . . . 650 ALA N . 25425 1 797 . 1 1 152 152 LEU H H 1 7.853 0.010 . 1 . . . . 651 LEU H . 25425 1 798 . 1 1 152 152 LEU C C 13 176.471 0.500 . 1 . . . . 651 LEU C . 25425 1 799 . 1 1 152 152 LEU CB C 13 44.716 0.500 . 1 . . . . 651 LEU CB . 25425 1 800 . 1 1 152 152 LEU CG C 13 28.354 0.500 . 1 . . . . 651 LEU CG . 25425 1 801 . 1 1 152 152 LEU CD1 C 13 27.190 0.500 . 2 . . . . 651 LEU CD1 . 25425 1 802 . 1 1 152 152 LEU CD2 C 13 25.778 0.500 . 2 . . . . 651 LEU CD2 . 25425 1 803 . 1 1 152 152 LEU N N 15 117.895 0.086 . 1 . . . . 651 LEU N . 25425 1 804 . 1 1 153 153 GLU H H 1 7.907 0.010 . 1 . . . . 652 GLU H . 25425 1 805 . 1 1 153 153 GLU C C 13 175.083 0.500 . 1 . . . . 652 GLU C . 25425 1 806 . 1 1 153 153 GLU CA C 13 56.161 0.500 . 1 . . . . 652 GLU CA . 25425 1 807 . 1 1 153 153 GLU CB C 13 30.783 0.500 . 1 . . . . 652 GLU CB . 25425 1 808 . 1 1 153 153 GLU CG C 13 34.428 0.500 . 1 . . . . 652 GLU CG . 25425 1 809 . 1 1 153 153 GLU N N 15 118.688 0.086 . 1 . . . . 652 GLU N . 25425 1 810 . 1 1 154 154 ILE H H 1 7.593 0.010 . 1 . . . . 653 ILE H . 25425 1 811 . 1 1 154 154 ILE C C 13 175.106 0.500 . 1 . . . . 653 ILE C . 25425 1 812 . 1 1 154 154 ILE CA C 13 61.268 0.500 . 1 . . . . 653 ILE CA . 25425 1 813 . 1 1 154 154 ILE CB C 13 40.829 0.500 . 1 . . . . 653 ILE CB . 25425 1 814 . 1 1 154 154 ILE CG2 C 13 19.553 0.500 . 1 . . . . 653 ILE CG2 . 25425 1 815 . 1 1 154 154 ILE CD1 C 13 15.321 0.500 . 1 . . . . 653 ILE CD1 . 25425 1 816 . 1 1 154 154 ILE N N 15 117.448 0.086 . 1 . . . . 653 ILE N . 25425 1 817 . 1 1 155 155 PHE H H 1 8.082 0.010 . 1 . . . . 654 PHE H . 25425 1 818 . 1 1 155 155 PHE C C 13 175.252 0.500 . 1 . . . . 654 PHE C . 25425 1 819 . 1 1 155 155 PHE N N 15 121.543 0.086 . 1 . . . . 654 PHE N . 25425 1 820 . 1 1 156 156 LYS H H 1 8.027 0.010 . 1 . . . . 655 LYS H . 25425 1 821 . 1 1 156 156 LYS C C 13 175.477 0.500 . 1 . . . . 655 LYS C . 25425 1 822 . 1 1 156 156 LYS CA C 13 56.535 0.500 . 1 . . . . 655 LYS CA . 25425 1 823 . 1 1 156 156 LYS CB C 13 35.658 0.500 . 1 . . . . 655 LYS CB . 25425 1 824 . 1 1 156 156 LYS CG C 13 26.277 0.500 . 1 . . . . 655 LYS CG . 25425 1 825 . 1 1 156 156 LYS CD C 13 30.907 0.500 . 1 . . . . 655 LYS CD . 25425 1 826 . 1 1 156 156 LYS CE C 13 43.099 0.500 . 1 . . . . 655 LYS CE . 25425 1 827 . 1 1 156 156 LYS N N 15 119.392 0.086 . 1 . . . . 655 LYS N . 25425 1 828 . 1 1 157 157 GLN H H 1 7.990 0.010 . 1 . . . . 656 GLN H . 25425 1 829 . 1 1 157 157 GLN C C 13 175.370 0.500 . 1 . . . . 656 GLN C . 25425 1 830 . 1 1 157 157 GLN CA C 13 56.159 0.500 . 1 . . . . 656 GLN CA . 25425 1 831 . 1 1 157 157 GLN CB C 13 32.052 0.500 . 1 . . . . 656 GLN CB . 25425 1 832 . 1 1 157 157 GLN CG C 13 35.680 0.500 . 1 . . . . 656 GLN CG . 25425 1 833 . 1 1 157 157 GLN N N 15 118.926 0.086 . 1 . . . . 656 GLN N . 25425 1 834 . 1 1 158 158 ALA H H 1 8.286 0.010 . 1 . . . . 657 ALA H . 25425 1 835 . 1 1 158 158 ALA C C 13 172.334 0.500 . 1 . . . . 657 ALA C . 25425 1 836 . 1 1 158 158 ALA N N 15 122.483 0.086 . 1 . . . . 657 ALA N . 25425 1 stop_ save_