data_15469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15469 _Entry.Title ; NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3 ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 2008-01-11 _Entry.Accession_date 2007-09-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Amarnath Chatterjee . . . 15469 2 Margaret Johnson . A. . 15469 3 Pedro Serrano . . . 15469 4 Bill Pedrini . . . 15469 5 Jeremiah Joseph . . . 15469 6 Kumar Saikatendu . . . 15469 7 Benjamin Neuman . W. . 15469 8 Ian Wilson . A. . 15469 9 Ray Stevens . . . 15469 10 Michael Buchmeier . J. . 15469 11 Peter Kuhn . . . 15469 12 Kurt Wuthrich . . . 15469 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'nonstructural protein' . 15469 nsp3 . 15469 nsp3c . 15469 SARS-CoV . 15469 'SARS-unique domain' . 15469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 143 15469 '1H chemical shifts' 967 15469 '13C chemical shifts' 615 15469 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-12 2007-09-12 update BMRB 'added PubMed ID' 15469 2 . . 2008-10-22 2007-09-12 update BMRB 'complete entry citation' 15469 1 . . 2008-02-05 2007-09-12 original author 'original release' 15469 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15618 ; NMR assignment of the domain 527-651 from the SARS-CoV nonstructural protein nsp3 ; 15469 PDB 2jzd ; NMR structure of the domain 527-651 from the SARS-CoV nonstructural protein nsp3, ensemble of 20 energy minimized conformers ; 15469 PDB 2jze ; NMR structure of the domain 527-651 from the SARS-CoV nonstructural protein nsp3, SINGLE CONFORMER ; 15469 PDB 2JZF ; NMR structure of the domain 513-651 from the SARS-CoV nonstructural protein nsp3, SINGLE CONFORMER ; 15469 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15469 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636862 _Citation.Full_citation . _Citation.Title 'NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 1 _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 191 _Citation.Page_last 194 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Amarnath Chatterjee . . . 15469 1 2 Margaret Johnson . A. . 15469 1 3 Pedro Serrano . . . 15469 1 4 Bill Pedrini . . . 15469 1 5 Kurt Wuthrich . . . 15469 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nonstructural protein' 15469 1 nsp3 15469 1 nsp3c 15469 1 SARS-CoV 15469 1 'SARS-unique domain' 15469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15469 _Assembly.ID 1 _Assembly.Name nsp3(513-651) _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 15841.3 _Assembly.Enzyme_commission_number . _Assembly.Details 'SARS-Cov nonstructural protein nsp3(513-651)' _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 nsp3(513-651) 1 $nsp3(513-651) A . yes native no no . . . 15469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp3(513-651) _Entity.Sf_category entity _Entity.Sf_framecode nsp3(513-651) _Entity.Entry_ID 15469 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp3(513-651) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMVLPSEAPNAKEEILGT VSWNLREMLAHAEETRKLMP ICMDVRAIMATIQRKYKGIK IQEGIVDYGVRFFFYTSKEP VASIITKLNSLNEPLVTMPI GYVTHGFNLEEAARCMRSLK APAVVSVSSPDAVTTYNGYL TSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15618 . nsp3(527-651) . . . . . 88.11 129 99.21 100.00 7.95e-87 . . . . 15469 1 2 no BMRB 16613 . SUD-MC . . . . . 88.11 198 99.21 100.00 2.21e-86 . . . . 15469 1 3 no PDB 2JZD . "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3" . . . . . 88.11 129 99.21 100.00 7.95e-87 . . . . 15469 1 4 no PDB 2JZE . "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3, Single Conformer Closest To The Mean Coordinate" . . . . . 88.11 129 99.21 100.00 7.95e-87 . . . . 15469 1 5 no PDB 2JZF . "Nmr Conformer Closest To The Mean Coordinates Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" . . . . . 100.00 143 100.00 100.00 1.27e-100 . . . . 15469 1 6 no PDB 2KQV . "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. I: Structure Of The Sud-" . . . . . 88.11 198 99.21 100.00 2.21e-86 . . . . 15469 1 7 no PDB 2KQW . "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. Ii: Structure Of The Sud" . . . . . 88.11 198 99.21 100.00 2.21e-86 . . . . 15469 1 8 no PDB 2RNK . "Nmr Structure Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" . . . . . 100.00 143 100.00 100.00 1.27e-100 . . . . 15469 1 9 no PDB 2W2G . "Human Sars Coronavirus Unique Domain" . . . . . 97.20 264 99.28 100.00 2.40e-95 . . . . 15469 1 10 no PDB 2WCT . "Human Sars Coronavirus Unique Domain (Triclinic Form)" . . . . . 97.20 264 99.28 100.00 2.40e-95 . . . . 15469 1 11 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 97.20 7073 100.00 100.00 3.82e-86 . . . . 15469 1 12 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 97.20 4382 100.00 100.00 2.68e-86 . . . . 15469 1 13 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 97.20 7073 100.00 100.00 3.82e-86 . . . . 15469 1 14 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 97.20 4382 100.00 100.00 2.68e-86 . . . . 15469 1 15 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 97.20 7073 100.00 100.00 3.82e-86 . . . . 15469 1 16 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 97.20 4382 100.00 100.00 2.68e-86 . . . . 15469 1 17 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 97.20 7073 100.00 100.00 3.82e-86 . . . . 15469 1 18 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 97.20 7073 100.00 100.00 4.25e-86 . . . . 15469 1 19 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 97.20 4382 100.00 100.00 2.68e-86 . . . . 15469 1 20 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 97.20 7073 100.00 100.00 4.25e-86 . . . . 15469 1 21 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 97.20 7073 100.00 100.00 3.82e-86 . . . . 15469 1 22 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 97.20 4382 100.00 100.00 2.68e-86 . . . . 15469 1 23 no REF NP_828862 . "nsp3-pp1a/pp1ab [SARS coronavirus]" . . . . . 97.20 1922 100.00 100.00 5.75e-87 . . . . 15469 1 24 no SP P0C6T7 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 97.20 4380 97.84 99.28 2.54e-85 . . . . 15469 1 25 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 97.20 4382 100.00 100.00 2.68e-86 . . . . 15469 1 26 no SP P0C6W6 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 97.20 7071 97.84 99.28 4.43e-85 . . . . 15469 1 27 no SP P0C6X7 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 97.20 7073 100.00 100.00 3.82e-86 . . . . 15469 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 -4 GLY . 15469 1 2 -3 SER . 15469 1 3 -2 HIS . 15469 1 4 -1 MET . 15469 1 5 513 VAL . 15469 1 6 514 LEU . 15469 1 7 515 PRO . 15469 1 8 516 SER . 15469 1 9 517 GLU . 15469 1 10 518 ALA . 15469 1 11 519 PRO . 15469 1 12 520 ASN . 15469 1 13 521 ALA . 15469 1 14 522 LYS . 15469 1 15 523 GLU . 15469 1 16 524 GLU . 15469 1 17 525 ILE . 15469 1 18 526 LEU . 15469 1 19 527 GLY . 15469 1 20 528 THR . 15469 1 21 529 VAL . 15469 1 22 530 SER . 15469 1 23 531 TRP . 15469 1 24 532 ASN . 15469 1 25 533 LEU . 15469 1 26 534 ARG . 15469 1 27 535 GLU . 15469 1 28 536 MET . 15469 1 29 537 LEU . 15469 1 30 538 ALA . 15469 1 31 539 HIS . 15469 1 32 540 ALA . 15469 1 33 541 GLU . 15469 1 34 542 GLU . 15469 1 35 543 THR . 15469 1 36 544 ARG . 15469 1 37 545 LYS . 15469 1 38 546 LEU . 15469 1 39 547 MET . 15469 1 40 548 PRO . 15469 1 41 549 ILE . 15469 1 42 550 CYS . 15469 1 43 551 MET . 15469 1 44 552 ASP . 15469 1 45 553 VAL . 15469 1 46 554 ARG . 15469 1 47 555 ALA . 15469 1 48 556 ILE . 15469 1 49 557 MET . 15469 1 50 558 ALA . 15469 1 51 559 THR . 15469 1 52 560 ILE . 15469 1 53 561 GLN . 15469 1 54 562 ARG . 15469 1 55 563 LYS . 15469 1 56 564 TYR . 15469 1 57 565 LYS . 15469 1 58 566 GLY . 15469 1 59 567 ILE . 15469 1 60 568 LYS . 15469 1 61 569 ILE . 15469 1 62 570 GLN . 15469 1 63 571 GLU . 15469 1 64 572 GLY . 15469 1 65 573 ILE . 15469 1 66 574 VAL . 15469 1 67 575 ASP . 15469 1 68 576 TYR . 15469 1 69 577 GLY . 15469 1 70 578 VAL . 15469 1 71 579 ARG . 15469 1 72 580 PHE . 15469 1 73 581 PHE . 15469 1 74 582 PHE . 15469 1 75 583 TYR . 15469 1 76 584 THR . 15469 1 77 585 SER . 15469 1 78 586 LYS . 15469 1 79 587 GLU . 15469 1 80 588 PRO . 15469 1 81 589 VAL . 15469 1 82 590 ALA . 15469 1 83 591 SER . 15469 1 84 592 ILE . 15469 1 85 593 ILE . 15469 1 86 594 THR . 15469 1 87 595 LYS . 15469 1 88 596 LEU . 15469 1 89 597 ASN . 15469 1 90 598 SER . 15469 1 91 599 LEU . 15469 1 92 600 ASN . 15469 1 93 601 GLU . 15469 1 94 602 PRO . 15469 1 95 603 LEU . 15469 1 96 604 VAL . 15469 1 97 605 THR . 15469 1 98 606 MET . 15469 1 99 607 PRO . 15469 1 100 608 ILE . 15469 1 101 609 GLY . 15469 1 102 610 TYR . 15469 1 103 611 VAL . 15469 1 104 612 THR . 15469 1 105 613 HIS . 15469 1 106 614 GLY . 15469 1 107 615 PHE . 15469 1 108 616 ASN . 15469 1 109 617 LEU . 15469 1 110 618 GLU . 15469 1 111 619 GLU . 15469 1 112 620 ALA . 15469 1 113 621 ALA . 15469 1 114 622 ARG . 15469 1 115 623 CYS . 15469 1 116 624 MET . 15469 1 117 625 ARG . 15469 1 118 626 SER . 15469 1 119 627 LEU . 15469 1 120 628 LYS . 15469 1 121 629 ALA . 15469 1 122 630 PRO . 15469 1 123 631 ALA . 15469 1 124 632 VAL . 15469 1 125 633 VAL . 15469 1 126 634 SER . 15469 1 127 635 VAL . 15469 1 128 636 SER . 15469 1 129 637 SER . 15469 1 130 638 PRO . 15469 1 131 639 ASP . 15469 1 132 640 ALA . 15469 1 133 641 VAL . 15469 1 134 642 THR . 15469 1 135 643 THR . 15469 1 136 644 TYR . 15469 1 137 645 ASN . 15469 1 138 646 GLY . 15469 1 139 647 TYR . 15469 1 140 648 LEU . 15469 1 141 649 THR . 15469 1 142 650 SER . 15469 1 143 651 SER . 15469 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15469 1 . SER 2 2 15469 1 . HIS 3 3 15469 1 . MET 4 4 15469 1 . VAL 5 5 15469 1 . LEU 6 6 15469 1 . PRO 7 7 15469 1 . SER 8 8 15469 1 . GLU 9 9 15469 1 . ALA 10 10 15469 1 . PRO 11 11 15469 1 . ASN 12 12 15469 1 . ALA 13 13 15469 1 . LYS 14 14 15469 1 . GLU 15 15 15469 1 . GLU 16 16 15469 1 . ILE 17 17 15469 1 . LEU 18 18 15469 1 . GLY 19 19 15469 1 . THR 20 20 15469 1 . VAL 21 21 15469 1 . SER 22 22 15469 1 . TRP 23 23 15469 1 . ASN 24 24 15469 1 . LEU 25 25 15469 1 . ARG 26 26 15469 1 . GLU 27 27 15469 1 . MET 28 28 15469 1 . LEU 29 29 15469 1 . ALA 30 30 15469 1 . HIS 31 31 15469 1 . ALA 32 32 15469 1 . GLU 33 33 15469 1 . GLU 34 34 15469 1 . THR 35 35 15469 1 . ARG 36 36 15469 1 . LYS 37 37 15469 1 . LEU 38 38 15469 1 . MET 39 39 15469 1 . PRO 40 40 15469 1 . ILE 41 41 15469 1 . CYS 42 42 15469 1 . MET 43 43 15469 1 . ASP 44 44 15469 1 . VAL 45 45 15469 1 . ARG 46 46 15469 1 . ALA 47 47 15469 1 . ILE 48 48 15469 1 . MET 49 49 15469 1 . ALA 50 50 15469 1 . THR 51 51 15469 1 . ILE 52 52 15469 1 . GLN 53 53 15469 1 . ARG 54 54 15469 1 . LYS 55 55 15469 1 . TYR 56 56 15469 1 . LYS 57 57 15469 1 . GLY 58 58 15469 1 . ILE 59 59 15469 1 . LYS 60 60 15469 1 . ILE 61 61 15469 1 . GLN 62 62 15469 1 . GLU 63 63 15469 1 . GLY 64 64 15469 1 . ILE 65 65 15469 1 . VAL 66 66 15469 1 . ASP 67 67 15469 1 . TYR 68 68 15469 1 . GLY 69 69 15469 1 . VAL 70 70 15469 1 . ARG 71 71 15469 1 . PHE 72 72 15469 1 . PHE 73 73 15469 1 . PHE 74 74 15469 1 . TYR 75 75 15469 1 . THR 76 76 15469 1 . SER 77 77 15469 1 . LYS 78 78 15469 1 . GLU 79 79 15469 1 . PRO 80 80 15469 1 . VAL 81 81 15469 1 . ALA 82 82 15469 1 . SER 83 83 15469 1 . ILE 84 84 15469 1 . ILE 85 85 15469 1 . THR 86 86 15469 1 . LYS 87 87 15469 1 . LEU 88 88 15469 1 . ASN 89 89 15469 1 . SER 90 90 15469 1 . LEU 91 91 15469 1 . ASN 92 92 15469 1 . GLU 93 93 15469 1 . PRO 94 94 15469 1 . LEU 95 95 15469 1 . VAL 96 96 15469 1 . THR 97 97 15469 1 . MET 98 98 15469 1 . PRO 99 99 15469 1 . ILE 100 100 15469 1 . GLY 101 101 15469 1 . TYR 102 102 15469 1 . VAL 103 103 15469 1 . THR 104 104 15469 1 . HIS 105 105 15469 1 . GLY 106 106 15469 1 . PHE 107 107 15469 1 . ASN 108 108 15469 1 . LEU 109 109 15469 1 . GLU 110 110 15469 1 . GLU 111 111 15469 1 . ALA 112 112 15469 1 . ALA 113 113 15469 1 . ARG 114 114 15469 1 . CYS 115 115 15469 1 . MET 116 116 15469 1 . ARG 117 117 15469 1 . SER 118 118 15469 1 . LEU 119 119 15469 1 . LYS 120 120 15469 1 . ALA 121 121 15469 1 . PRO 122 122 15469 1 . ALA 123 123 15469 1 . VAL 124 124 15469 1 . VAL 125 125 15469 1 . SER 126 126 15469 1 . VAL 127 127 15469 1 . SER 128 128 15469 1 . SER 129 129 15469 1 . PRO 130 130 15469 1 . ASP 131 131 15469 1 . ALA 132 132 15469 1 . VAL 133 133 15469 1 . THR 134 134 15469 1 . THR 135 135 15469 1 . TYR 136 136 15469 1 . ASN 137 137 15469 1 . GLY 138 138 15469 1 . TYR 139 139 15469 1 . LEU 140 140 15469 1 . THR 141 141 15469 1 . SER 142 142 15469 1 . SER 143 143 15469 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 15469 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $nsp3(513-651) . 227859 virus . 'SARS CoV' 'SARS virus' . . Viruses . Coronavirus 'SARS virus' . . . . . . . . . . . . . . . . . . . . . 15469 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 15469 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $nsp3(513-651) . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . . . . 15469 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N _Sample.Entry_ID 15469 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 nsp3(513-651) '[U-99% 13C; U-98% 15N]' . . 1 $nsp3(513-651) . . 1.2 . . mM . . . . 15469 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15469 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15469 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 15469 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15469 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15469 1 stop_ save_ save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 15469 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 nsp3(513-651) '[U-98% 15N]' . . 1 $nsp3(513-651) . . 1.2 . . mM . . . . 15469 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15469 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15469 2 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 15469 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15469 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15469 2 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 15469 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.227 . M 15469 1 pH 6.5 0.1 pH 15469 1 pressure 1 . atm 15469 1 temperature 298 0.1 K 15469 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15469 _Software.ID 1 _Software.Name CYANA _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15469 1 processing 15469 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15469 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15469 2 'data analysis' 15469 2 'peak picking' 15469 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15469 _Software.ID 3 _Software.Name CYANA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15469 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Creating Chemical Shift List' 15469 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 15469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_800 _NMR_spectrometer.Entry_ID 15469 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15469 _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_600 Bruker Avance . 600 . . . 15469 1 2 spectrometer_800 Bruker Avance . 800 . . . 15469 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 15469 _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 . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 15469 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_800 . . . . . . . . . . . . . . . . 15469 1 13 '3D 1H-13C NOESY aliphatic region' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_800 . . . . . . . . . . . . . . . . 15469 1 14 '3D 1H-13C NOESY aromatic region' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_800 . . . . . . . . . . . . . . . . 15469 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15469 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15469 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15469 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15469 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 15469 _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 3 '3D HNCA' 1 $sample_13C15N isotropic 15469 1 4 '3D HNCACB' 1 $sample_13C15N isotropic 15469 1 5 '3D CBCA(CO)NH' 1 $sample_13C15N isotropic 15469 1 6 '3D HNCO' 1 $sample_13C15N isotropic 15469 1 7 '3D HCCH-TOCSY' 1 $sample_13C15N isotropic 15469 1 8 '3D HCCH-COSY' 1 $sample_13C15N isotropic 15469 1 11 '3D 1H-15N TOCSY' 1 $sample_13C15N isotropic 15469 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15469 1 3 $CYANA . . 15469 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 2 2 SER N N 15 115.970 0.40 . 1 . . . . -3 SER N . 15469 1 2 . 1 1 2 2 SER H H 1 8.589 0.02 . 1 . . . . -3 SER H . 15469 1 3 . 1 1 2 2 SER CA C 13 56.991 0.40 . 1 . . . . -3 SER CA . 15469 1 4 . 1 1 2 2 SER HA H 1 4.607 0.02 . 1 . . . . -3 SER HA . 15469 1 5 . 1 1 2 2 SER CB C 13 64.444 0.40 . 1 . . . . -3 SER CB . 15469 1 6 . 1 1 2 2 SER HB2 H 1 3.800 0.02 . 2 . . . . -3 SER HB2 . 15469 1 7 . 1 1 2 2 SER HB3 H 1 2.961 0.02 . 2 . . . . -3 SER HB3 . 15469 1 8 . 1 1 2 2 SER C C 13 174.486 0.40 . 1 . . . . -3 SER C . 15469 1 9 . 1 1 3 3 HIS N N 15 122.640 0.40 . 1 . . . . -2 HIS N . 15469 1 10 . 1 1 3 3 HIS H H 1 8.406 0.02 . 1 . . . . -2 HIS H . 15469 1 11 . 1 1 3 3 HIS CA C 13 56.161 0.40 . 1 . . . . -2 HIS CA . 15469 1 12 . 1 1 3 3 HIS HA H 1 4.590 0.02 . 1 . . . . -2 HIS HA . 15469 1 13 . 1 1 3 3 HIS CB C 13 30.003 0.40 . 1 . . . . -2 HIS CB . 15469 1 14 . 1 1 3 3 HIS HB2 H 1 3.089 0.02 . 2 . . . . -2 HIS QB . 15469 1 15 . 1 1 3 3 HIS C C 13 176.499 0.40 . 1 . . . . -2 HIS C . 15469 1 16 . 1 1 4 4 MET N N 15 122.335 0.40 . 1 . . . . -1 MET N . 15469 1 17 . 1 1 4 4 MET H H 1 8.228 0.02 . 1 . . . . -1 MET H . 15469 1 18 . 1 1 4 4 MET CA C 13 55.335 0.40 . 1 . . . . -1 MET CA . 15469 1 19 . 1 1 4 4 MET HA H 1 4.220 0.02 . 1 . . . . -1 MET HA . 15469 1 20 . 1 1 4 4 MET CB C 13 33.213 0.40 . 1 . . . . -1 MET CB . 15469 1 21 . 1 1 4 4 MET HB2 H 1 2.543 0.02 . 2 . . . . -1 MET QB . 15469 1 22 . 1 1 4 4 MET CG C 13 31.338 0.40 . 1 . . . . -1 MET CG . 15469 1 23 . 1 1 4 4 MET HG2 H 1 2.094 0.02 . 2 . . . . -1 MET QG . 15469 1 24 . 1 1 4 4 MET HE1 H 1 1.888 0.02 . 1 . . . . -1 MET QE . 15469 1 25 . 1 1 4 4 MET HE2 H 1 1.888 0.02 . 1 . . . . -1 MET QE . 15469 1 26 . 1 1 4 4 MET HE3 H 1 1.888 0.02 . 1 . . . . -1 MET QE . 15469 1 27 . 1 1 4 4 MET CE C 13 17.900 0.40 . 1 . . . . -1 MET CE . 15469 1 28 . 1 1 4 4 MET C C 13 175.401 0.40 . 1 . . . . -1 MET C . 15469 1 29 . 1 1 5 5 VAL N N 15 122.838 0.40 . 1 . . . . 513 VAL N . 15469 1 30 . 1 1 5 5 VAL H H 1 8.144 0.02 . 1 . . . . 513 VAL H . 15469 1 31 . 1 1 5 5 VAL CA C 13 61.655 0.40 . 1 . . . . 513 VAL CA . 15469 1 32 . 1 1 5 5 VAL HA H 1 3.997 0.02 . 1 . . . . 513 VAL HA . 15469 1 33 . 1 1 5 5 VAL CB C 13 32.609 0.40 . 1 . . . . 513 VAL CB . 15469 1 34 . 1 1 5 5 VAL HB H 1 1.914 0.02 . 1 . . . . 513 VAL HB . 15469 1 35 . 1 1 5 5 VAL HG11 H 1 0.826 0.02 . 2 . . . . 513 VAL QG1 . 15469 1 36 . 1 1 5 5 VAL HG12 H 1 0.826 0.02 . 2 . . . . 513 VAL QG1 . 15469 1 37 . 1 1 5 5 VAL HG13 H 1 0.826 0.02 . 2 . . . . 513 VAL QG1 . 15469 1 38 . 1 1 5 5 VAL CG1 C 13 20.426 0.40 . 1 . . . . 513 VAL CG1 . 15469 1 39 . 1 1 5 5 VAL C C 13 175.651 0.40 . 1 . . . . 513 VAL C . 15469 1 40 . 1 1 6 6 LEU N N 15 127.964 0.40 . 1 . . . . 514 LEU N . 15469 1 41 . 1 1 6 6 LEU H H 1 8.363 0.02 . 1 . . . . 514 LEU H . 15469 1 42 . 1 1 6 6 LEU CA C 13 52.280 0.40 . 1 . . . . 514 LEU CA . 15469 1 43 . 1 1 6 6 LEU HA H 1 4.558 0.02 . 1 . . . . 514 LEU HA . 15469 1 44 . 1 1 6 6 LEU CB C 13 41.463 0.40 . 1 . . . . 514 LEU CB . 15469 1 45 . 1 1 6 6 LEU HB2 H 1 1.475 0.02 . 2 . . . . 514 LEU HB2 . 15469 1 46 . 1 1 6 6 LEU HB3 H 1 1.520 0.02 . 2 . . . . 514 LEU HB3 . 15469 1 47 . 1 1 6 6 LEU CG C 13 26.940 0.40 . 1 . . . . 514 LEU CG . 15469 1 48 . 1 1 6 6 LEU HG H 1 1.583 0.02 . 1 . . . . 514 LEU HG . 15469 1 49 . 1 1 6 6 LEU CD1 C 13 22.933 0.40 . 2 . . . . 514 LEU CD1 . 15469 1 50 . 1 1 6 6 LEU HD11 H 1 0.817 0.02 . 2 . . . . 514 LEU QQD . 15469 1 51 . 1 1 6 6 LEU HD12 H 1 0.817 0.02 . 2 . . . . 514 LEU QQD . 15469 1 52 . 1 1 6 6 LEU HD13 H 1 0.817 0.02 . 2 . . . . 514 LEU QQD . 15469 1 53 . 1 1 7 7 PRO CD C 13 50.075 0.40 . 1 . . . . 515 PRO CD . 15469 1 54 . 1 1 7 7 PRO CA C 13 62.902 0.40 . 1 . . . . 515 PRO CA . 15469 1 55 . 1 1 7 7 PRO HA H 1 4.339 0.02 . 1 . . . . 515 PRO HA . 15469 1 56 . 1 1 7 7 PRO CB C 13 31.743 0.40 . 1 . . . . 515 PRO CB . 15469 1 57 . 1 1 7 7 PRO HB2 H 1 2.231 0.02 . 2 . . . . 515 PRO HB2 . 15469 1 58 . 1 1 7 7 PRO HB3 H 1 1.858 0.02 . 2 . . . . 515 PRO HB3 . 15469 1 59 . 1 1 7 7 PRO CG C 13 27.327 0.40 . 1 . . . . 515 PRO CG . 15469 1 60 . 1 1 7 7 PRO HG2 H 1 1.929 0.02 . 2 . . . . 515 PRO HG2 . 15469 1 61 . 1 1 7 7 PRO HG3 H 1 1.967 0.02 . 2 . . . . 515 PRO HG3 . 15469 1 62 . 1 1 7 7 PRO HD2 H 1 3.765 0.02 . 2 . . . . 515 PRO HD2 . 15469 1 63 . 1 1 7 7 PRO HD3 H 1 3.591 0.02 . 2 . . . . 515 PRO HD3 . 15469 1 64 . 1 1 7 7 PRO C C 13 176.930 0.40 . 1 . . . . 515 PRO C . 15469 1 65 . 1 1 8 8 SER N N 15 114.769 0.40 . 1 . . . . 516 SER N . 15469 1 66 . 1 1 8 8 SER H H 1 8.157 0.02 . 1 . . . . 516 SER H . 15469 1 67 . 1 1 8 8 SER CA C 13 57.917 0.40 . 1 . . . . 516 SER CA . 15469 1 68 . 1 1 8 8 SER HA H 1 4.286 0.02 . 1 . . . . 516 SER HA . 15469 1 69 . 1 1 8 8 SER CB C 13 63.225 0.40 . 1 . . . . 516 SER CB . 15469 1 70 . 1 1 8 8 SER HB2 H 1 3.736 0.02 . 2 . . . . 516 SER HB2 . 15469 1 71 . 1 1 8 8 SER HB3 H 1 3.815 0.02 . 2 . . . . 516 SER HB3 . 15469 1 72 . 1 1 8 8 SER C C 13 174.524 0.40 . 1 . . . . 516 SER C . 15469 1 73 . 1 1 9 9 GLU N N 15 122.239 0.40 . 1 . . . . 517 GLU- N . 15469 1 74 . 1 1 9 9 GLU H H 1 8.271 0.02 . 1 . . . . 517 GLU- H . 15469 1 75 . 1 1 9 9 GLU CA C 13 55.971 0.40 . 1 . . . . 517 GLU- CA . 15469 1 76 . 1 1 9 9 GLU HA H 1 4.174 0.02 . 1 . . . . 517 GLU- HA . 15469 1 77 . 1 1 9 9 GLU CB C 13 30.304 0.40 . 1 . . . . 517 GLU- CB . 15469 1 78 . 1 1 9 9 GLU HB2 H 1 1.895 0.02 . 2 . . . . 517 GLU- HB2 . 15469 1 79 . 1 1 9 9 GLU HB3 H 1 1.827 0.02 . 2 . . . . 517 GLU- HB3 . 15469 1 80 . 1 1 9 9 GLU CG C 13 35.853 0.40 . 1 . . . . 517 GLU- CG . 15469 1 81 . 1 1 9 9 GLU HG2 H 1 2.152 0.02 . 2 . . . . 517 GLU- HG2 . 15469 1 82 . 1 1 9 9 GLU HG3 H 1 2.100 0.02 . 2 . . . . 517 GLU- HG3 . 15469 1 83 . 1 1 9 9 GLU C C 13 175.651 0.40 . 1 . . . . 517 GLU- C . 15469 1 84 . 1 1 10 10 ALA N N 15 126.044 0.40 . 1 . . . . 518 ALA N . 15469 1 85 . 1 1 10 10 ALA H H 1 8.150 0.02 . 1 . . . . 518 ALA H . 15469 1 86 . 1 1 10 10 ALA CA C 13 50.102 0.40 . 1 . . . . 518 ALA CA . 15469 1 87 . 1 1 10 10 ALA HA H 1 4.471 0.02 . 1 . . . . 518 ALA HA . 15469 1 88 . 1 1 10 10 ALA HB1 H 1 1.267 0.02 . 1 . . . . 518 ALA QB . 15469 1 89 . 1 1 10 10 ALA HB2 H 1 1.267 0.02 . 1 . . . . 518 ALA QB . 15469 1 90 . 1 1 10 10 ALA HB3 H 1 1.267 0.02 . 1 . . . . 518 ALA QB . 15469 1 91 . 1 1 10 10 ALA CB C 13 17.923 0.40 . 1 . . . . 518 ALA CB . 15469 1 92 . 1 1 11 11 PRO CD C 13 49.744 0.40 . 1 . . . . 519 PRO CD . 15469 1 93 . 1 1 11 11 PRO CA C 13 62.910 0.40 . 1 . . . . 519 PRO CA . 15469 1 94 . 1 1 11 11 PRO HA H 1 4.334 0.02 . 1 . . . . 519 PRO HA . 15469 1 95 . 1 1 11 11 PRO CB C 13 31.686 0.40 . 1 . . . . 519 PRO CB . 15469 1 96 . 1 1 11 11 PRO HB2 H 1 2.150 0.02 . 2 . . . . 519 PRO HB2 . 15469 1 97 . 1 1 11 11 PRO HB3 H 1 1.773 0.02 . 2 . . . . 519 PRO HB3 . 15469 1 98 . 1 1 11 11 PRO CG C 13 27.310 0.40 . 1 . . . . 519 PRO CG . 15469 1 99 . 1 1 11 11 PRO HG2 H 1 1.870 0.02 . 2 . . . . 519 PRO QG . 15469 1 100 . 1 1 11 11 PRO HD2 H 1 3.670 0.02 . 2 . . . . 519 PRO HD2 . 15469 1 101 . 1 1 11 11 PRO HD3 H 1 3.546 0.02 . 2 . . . . 519 PRO HD3 . 15469 1 102 . 1 1 11 11 PRO C C 13 176.743 0.40 . 1 . . . . 519 PRO C . 15469 1 103 . 1 1 12 12 ASN N N 15 118.213 0.40 . 1 . . . . 520 ASN N . 15469 1 104 . 1 1 12 12 ASN H H 1 8.387 0.02 . 1 . . . . 520 ASN H . 15469 1 105 . 1 1 12 12 ASN CA C 13 52.556 0.40 . 1 . . . . 520 ASN CA . 15469 1 106 . 1 1 12 12 ASN HA H 1 4.564 0.02 . 1 . . . . 520 ASN HA . 15469 1 107 . 1 1 12 12 ASN CB C 13 38.558 0.40 . 1 . . . . 520 ASN CB . 15469 1 108 . 1 1 12 12 ASN HB2 H 1 2.735 0.02 . 2 . . . . 520 ASN HB2 . 15469 1 109 . 1 1 12 12 ASN HB3 H 1 2.683 0.02 . 2 . . . . 520 ASN HB3 . 15469 1 110 . 1 1 12 12 ASN ND2 N 15 112.887 0.40 . 1 . . . . 520 ASN ND2 . 15469 1 111 . 1 1 12 12 ASN HD21 H 1 7.545 0.02 . 2 . . . . 520 ASN HD21 . 15469 1 112 . 1 1 12 12 ASN HD22 H 1 6.850 0.02 . 2 . . . . 520 ASN HD22 . 15469 1 113 . 1 1 12 12 ASN C C 13 174.959 0.40 . 1 . . . . 520 ASN C . 15469 1 114 . 1 1 13 13 ALA N N 15 124.627 0.40 . 1 . . . . 521 ALA N . 15469 1 115 . 1 1 13 13 ALA H H 1 8.173 0.02 . 1 . . . . 521 ALA H . 15469 1 116 . 1 1 13 13 ALA CA C 13 52.315 0.40 . 1 . . . . 521 ALA CA . 15469 1 117 . 1 1 13 13 ALA HA H 1 4.204 0.02 . 1 . . . . 521 ALA HA . 15469 1 118 . 1 1 13 13 ALA HB1 H 1 1.313 0.02 . 1 . . . . 521 ALA QB . 15469 1 119 . 1 1 13 13 ALA HB2 H 1 1.313 0.02 . 1 . . . . 521 ALA QB . 15469 1 120 . 1 1 13 13 ALA HB3 H 1 1.313 0.02 . 1 . . . . 521 ALA QB . 15469 1 121 . 1 1 13 13 ALA CB C 13 19.175 0.40 . 1 . . . . 521 ALA CB . 15469 1 122 . 1 1 13 13 ALA C C 13 177.616 0.40 . 1 . . . . 521 ALA C . 15469 1 123 . 1 1 14 14 LYS N N 15 119.894 0.40 . 1 . . . . 522 LYS+ N . 15469 1 124 . 1 1 14 14 LYS H H 1 8.187 0.02 . 1 . . . . 522 LYS+ H . 15469 1 125 . 1 1 14 14 LYS CA C 13 55.732 0.40 . 1 . . . . 522 LYS+ CA . 15469 1 126 . 1 1 14 14 LYS HA H 1 4.195 0.02 . 1 . . . . 522 LYS+ HA . 15469 1 127 . 1 1 14 14 LYS CB C 13 32.682 0.40 . 1 . . . . 522 LYS+ CB . 15469 1 128 . 1 1 14 14 LYS HB2 H 1 1.755 0.02 . 2 . . . . 522 LYS+ HB2 . 15469 1 129 . 1 1 14 14 LYS HB3 H 1 1.680 0.02 . 2 . . . . 522 LYS+ HB3 . 15469 1 130 . 1 1 14 14 LYS CG C 13 24.480 0.40 . 1 . . . . 522 LYS+ CG . 15469 1 131 . 1 1 14 14 LYS HG2 H 1 1.347 0.02 . 2 . . . . 522 LYS+ QG . 15469 1 132 . 1 1 14 14 LYS CD C 13 28.863 0.40 . 1 . . . . 522 LYS+ CD . 15469 1 133 . 1 1 14 14 LYS HD2 H 1 1.589 0.02 . 2 . . . . 522 LYS+ QD . 15469 1 134 . 1 1 14 14 LYS CE C 13 41.936 0.40 . 1 . . . . 522 LYS+ CE . 15469 1 135 . 1 1 14 14 LYS HE2 H 1 2.900 0.02 . 2 . . . . 522 LYS+ QE . 15469 1 136 . 1 1 14 14 LYS C C 13 176.499 0.40 . 1 . . . . 522 LYS+ C . 15469 1 137 . 1 1 15 15 GLU N N 15 121.599 0.40 . 1 . . . . 523 GLU- N . 15469 1 138 . 1 1 15 15 GLU H H 1 8.271 0.02 . 1 . . . . 523 GLU- H . 15469 1 139 . 1 1 15 15 GLU CA C 13 56.031 0.40 . 1 . . . . 523 GLU- CA . 15469 1 140 . 1 1 15 15 GLU HA H 1 4.172 0.02 . 1 . . . . 523 GLU- HA . 15469 1 141 . 1 1 15 15 GLU CB C 13 30.202 0.40 . 1 . . . . 523 GLU- CB . 15469 1 142 . 1 1 15 15 GLU HB2 H 1 1.958 0.02 . 2 . . . . 523 GLU- HB2 . 15469 1 143 . 1 1 15 15 GLU HB3 H 1 1.850 0.02 . 2 . . . . 523 GLU- HB3 . 15469 1 144 . 1 1 15 15 GLU CG C 13 36.051 0.40 . 1 . . . . 523 GLU- CG . 15469 1 145 . 1 1 15 15 GLU HG2 H 1 2.163 0.02 . 2 . . . . 523 GLU- HG2 . 15469 1 146 . 1 1 15 15 GLU HG3 H 1 2.096 0.02 . 2 . . . . 523 GLU- HG3 . 15469 1 147 . 1 1 15 15 GLU C C 13 176.167 0.40 . 1 . . . . 523 GLU- C . 15469 1 148 . 1 1 16 16 GLU N N 15 122.547 0.40 . 1 . . . . 524 GLU- N . 15469 1 149 . 1 1 16 16 GLU H H 1 8.286 0.02 . 1 . . . . 524 GLU- H . 15469 1 150 . 1 1 16 16 GLU CA C 13 56.034 0.40 . 1 . . . . 524 GLU- CA . 15469 1 151 . 1 1 16 16 GLU HA H 1 4.174 0.02 . 1 . . . . 524 GLU- HA . 15469 1 152 . 1 1 16 16 GLU CB C 13 30.122 0.40 . 1 . . . . 524 GLU- CB . 15469 1 153 . 1 1 16 16 GLU HB2 H 1 1.889 0.02 . 2 . . . . 524 GLU- HB2 . 15469 1 154 . 1 1 16 16 GLU HB3 H 1 1.843 0.02 . 2 . . . . 524 GLU- HB3 . 15469 1 155 . 1 1 16 16 GLU CG C 13 36.063 0.40 . 1 . . . . 524 GLU- CG . 15469 1 156 . 1 1 16 16 GLU HG2 H 1 2.162 0.02 . 2 . . . . 524 GLU- HG2 . 15469 1 157 . 1 1 16 16 GLU HG3 H 1 2.096 0.02 . 2 . . . . 524 GLU- HG3 . 15469 1 158 . 1 1 16 16 GLU C C 13 175.900 0.40 . 1 . . . . 524 GLU- C . 15469 1 159 . 1 1 17 17 ILE N N 15 123.342 0.40 . 1 . . . . 525 ILE N . 15469 1 160 . 1 1 17 17 ILE H H 1 8.224 0.02 . 1 . . . . 525 ILE H . 15469 1 161 . 1 1 17 17 ILE CA C 13 60.412 0.40 . 1 . . . . 525 ILE CA . 15469 1 162 . 1 1 17 17 ILE HA H 1 4.055 0.02 . 1 . . . . 525 ILE HA . 15469 1 163 . 1 1 17 17 ILE CB C 13 38.242 0.40 . 1 . . . . 525 ILE CB . 15469 1 164 . 1 1 17 17 ILE HB H 1 1.736 0.02 . 1 . . . . 525 ILE HB . 15469 1 165 . 1 1 17 17 ILE HG21 H 1 0.740 0.02 . 1 . . . . 525 ILE QG2 . 15469 1 166 . 1 1 17 17 ILE HG22 H 1 0.740 0.02 . 1 . . . . 525 ILE QG2 . 15469 1 167 . 1 1 17 17 ILE HG23 H 1 0.740 0.02 . 1 . . . . 525 ILE QG2 . 15469 1 168 . 1 1 17 17 ILE CG2 C 13 17.300 0.40 . 1 . . . . 525 ILE CG2 . 15469 1 169 . 1 1 17 17 ILE CG1 C 13 27.002 0.40 . 1 . . . . 525 ILE CG1 . 15469 1 170 . 1 1 17 17 ILE HG12 H 1 1.429 0.02 . 2 . . . . 525 ILE HG12 . 15469 1 171 . 1 1 17 17 ILE HG13 H 1 1.122 0.02 . 2 . . . . 525 ILE HG13 . 15469 1 172 . 1 1 17 17 ILE HD11 H 1 0.800 0.02 . 1 . . . . 525 ILE QD1 . 15469 1 173 . 1 1 17 17 ILE HD12 H 1 0.800 0.02 . 1 . . . . 525 ILE QD1 . 15469 1 174 . 1 1 17 17 ILE HD13 H 1 0.800 0.02 . 1 . . . . 525 ILE QD1 . 15469 1 175 . 1 1 17 17 ILE CD1 C 13 12.600 0.40 . 1 . . . . 525 ILE CD1 . 15469 1 176 . 1 1 17 17 ILE C C 13 174.953 0.40 . 1 . . . . 525 ILE C . 15469 1 177 . 1 1 18 18 LEU N N 15 125.752 0.40 . 1 . . . . 526 LEU N . 15469 1 178 . 1 1 18 18 LEU H H 1 7.981 0.02 . 1 . . . . 526 LEU H . 15469 1 179 . 1 1 18 18 LEU CA C 13 54.162 0.40 . 1 . . . . 526 LEU CA . 15469 1 180 . 1 1 18 18 LEU HA H 1 4.287 0.02 . 1 . . . . 526 LEU HA . 15469 1 181 . 1 1 18 18 LEU CB C 13 43.871 0.40 . 1 . . . . 526 LEU CB . 15469 1 182 . 1 1 18 18 LEU HB2 H 1 1.523 0.02 . 2 . . . . 526 LEU HB2 . 15469 1 183 . 1 1 18 18 LEU HB3 H 1 1.379 0.02 . 2 . . . . 526 LEU HB3 . 15469 1 184 . 1 1 18 18 LEU CG C 13 26.984 0.40 . 1 . . . . 526 LEU CG . 15469 1 185 . 1 1 18 18 LEU HG H 1 1.460 0.02 . 1 . . . . 526 LEU HG . 15469 1 186 . 1 1 18 18 LEU HD11 H 1 0.801 0.02 . 2 . . . . 526 LEU QD1 . 15469 1 187 . 1 1 18 18 LEU HD12 H 1 0.801 0.02 . 2 . . . . 526 LEU QD1 . 15469 1 188 . 1 1 18 18 LEU HD13 H 1 0.801 0.02 . 2 . . . . 526 LEU QD1 . 15469 1 189 . 1 1 18 18 LEU HD21 H 1 0.765 0.02 . 2 . . . . 526 LEU QD2 . 15469 1 190 . 1 1 18 18 LEU HD22 H 1 0.765 0.02 . 2 . . . . 526 LEU QD2 . 15469 1 191 . 1 1 18 18 LEU HD23 H 1 0.765 0.02 . 2 . . . . 526 LEU QD2 . 15469 1 192 . 1 1 18 18 LEU CD1 C 13 25.104 0.40 . 2 . . . . 526 LEU CD1 . 15469 1 193 . 1 1 18 18 LEU CD2 C 13 23.244 0.40 . 2 . . . . 526 LEU CD2 . 15469 1 194 . 1 1 18 18 LEU C C 13 176.672 0.40 . 1 . . . . 526 LEU C . 15469 1 195 . 1 1 19 19 GLY N N 15 108.626 0.40 . 1 . . . . 527 GLY N . 15469 1 196 . 1 1 19 19 GLY H H 1 8.155 0.02 . 1 . . . . 527 GLY H . 15469 1 197 . 1 1 19 19 GLY CA C 13 45.110 0.40 . 1 . . . . 527 GLY CA . 15469 1 198 . 1 1 19 19 GLY HA2 H 1 3.823 0.02 . 2 . . . . 527 GLY HA2 . 15469 1 199 . 1 1 19 19 GLY HA3 H 1 4.012 0.02 . 2 . . . . 527 GLY HA3 . 15469 1 200 . 1 1 19 19 GLY C C 13 172.567 0.40 . 1 . . . . 527 GLY C . 15469 1 201 . 1 1 20 20 THR N N 15 118.293 0.40 . 1 . . . . 528 THR N . 15469 1 202 . 1 1 20 20 THR H H 1 7.800 0.02 . 1 . . . . 528 THR H . 15469 1 203 . 1 1 20 20 THR CA C 13 60.716 0.40 . 1 . . . . 528 THR CA . 15469 1 204 . 1 1 20 20 THR HA H 1 5.067 0.02 . 1 . . . . 528 THR HA . 15469 1 205 . 1 1 20 20 THR CB C 13 67.596 0.40 . 1 . . . . 528 THR CB . 15469 1 206 . 1 1 20 20 THR HB H 1 3.964 0.02 . 1 . . . . 528 THR HB . 15469 1 207 . 1 1 20 20 THR HG21 H 1 1.064 0.02 . 1 . . . . 528 THR QG2 . 15469 1 208 . 1 1 20 20 THR HG22 H 1 1.064 0.02 . 1 . . . . 528 THR QG2 . 15469 1 209 . 1 1 20 20 THR HG23 H 1 1.064 0.02 . 1 . . . . 528 THR QG2 . 15469 1 210 . 1 1 20 20 THR CG2 C 13 24.791 0.40 . 1 . . . . 528 THR CG2 . 15469 1 211 . 1 1 20 20 THR C C 13 174.541 0.40 . 1 . . . . 528 THR C . 15469 1 212 . 1 1 21 21 VAL N N 15 121.381 0.40 . 1 . . . . 529 VAL N . 15469 1 213 . 1 1 21 21 VAL H H 1 8.988 0.02 . 1 . . . . 529 VAL H . 15469 1 214 . 1 1 21 21 VAL CA C 13 58.217 0.40 . 1 . . . . 529 VAL CA . 15469 1 215 . 1 1 21 21 VAL HA H 1 4.249 0.02 . 1 . . . . 529 VAL HA . 15469 1 216 . 1 1 21 21 VAL CB C 13 35.737 0.40 . 1 . . . . 529 VAL CB . 15469 1 217 . 1 1 21 21 VAL HB H 1 1.022 0.02 . 1 . . . . 529 VAL HB . 15469 1 218 . 1 1 21 21 VAL HG11 H 1 0.048 0.02 . 2 . . . . 529 VAL QG1 . 15469 1 219 . 1 1 21 21 VAL HG12 H 1 0.048 0.02 . 2 . . . . 529 VAL QG1 . 15469 1 220 . 1 1 21 21 VAL HG13 H 1 0.048 0.02 . 2 . . . . 529 VAL QG1 . 15469 1 221 . 1 1 21 21 VAL HG21 H 1 -0.934 0.02 . 2 . . . . 529 VAL QG2 . 15469 1 222 . 1 1 21 21 VAL HG22 H 1 -0.934 0.02 . 2 . . . . 529 VAL QG2 . 15469 1 223 . 1 1 21 21 VAL HG23 H 1 -0.934 0.02 . 2 . . . . 529 VAL QG2 . 15469 1 224 . 1 1 21 21 VAL CG1 C 13 20.408 0.40 . 2 . . . . 529 VAL CG1 . 15469 1 225 . 1 1 21 21 VAL CG2 C 13 15.894 0.40 . 2 . . . . 529 VAL CG2 . 15469 1 226 . 1 1 21 21 VAL C C 13 174.009 0.40 . 1 . . . . 529 VAL C . 15469 1 227 . 1 1 22 22 SER N N 15 112.745 0.40 . 1 . . . . 530 SER N . 15469 1 228 . 1 1 22 22 SER H H 1 8.217 0.02 . 1 . . . . 530 SER H . 15469 1 229 . 1 1 22 22 SER CA C 13 55.677 0.40 . 1 . . . . 530 SER CA . 15469 1 230 . 1 1 22 22 SER HA H 1 4.812 0.02 . 1 . . . . 530 SER HA . 15469 1 231 . 1 1 22 22 SER CB C 13 62.588 0.40 . 1 . . . . 530 SER CB . 15469 1 232 . 1 1 22 22 SER HB2 H 1 3.351 0.02 . 2 . . . . 530 SER HB2 . 15469 1 233 . 1 1 22 22 SER HB3 H 1 3.133 0.02 . 2 . . . . 530 SER HB3 . 15469 1 234 . 1 1 22 22 SER C C 13 172.905 0.40 . 1 . . . . 530 SER C . 15469 1 235 . 1 1 23 23 TRP N N 15 124.640 0.40 . 1 . . . . 531 TRP N . 15469 1 236 . 1 1 23 23 TRP H H 1 7.648 0.02 . 1 . . . . 531 TRP H . 15469 1 237 . 1 1 23 23 TRP CA C 13 51.666 0.40 . 1 . . . . 531 TRP CA . 15469 1 238 . 1 1 23 23 TRP HA H 1 5.347 0.02 . 1 . . . . 531 TRP HA . 15469 1 239 . 1 1 23 23 TRP CB C 13 32.926 0.40 . 1 . . . . 531 TRP CB . 15469 1 240 . 1 1 23 23 TRP HB2 H 1 3.092 0.02 . 2 . . . . 531 TRP HB2 . 15469 1 241 . 1 1 23 23 TRP HB3 H 1 2.750 0.02 . 2 . . . . 531 TRP HB3 . 15469 1 242 . 1 1 23 23 TRP CD1 C 13 124.030 0.40 . 1 . . . . 531 TRP CD1 . 15469 1 243 . 1 1 23 23 TRP CE3 C 13 118.151 0.40 . 1 . . . . 531 TRP CE3 . 15469 1 244 . 1 1 23 23 TRP NE1 N 15 127.571 0.40 . 1 . . . . 531 TRP NE1 . 15469 1 245 . 1 1 23 23 TRP HD1 H 1 6.998 0.02 . 1 . . . . 531 TRP HD1 . 15469 1 246 . 1 1 23 23 TRP HE3 H 1 6.764 0.02 . 1 . . . . 531 TRP HE3 . 15469 1 247 . 1 1 23 23 TRP CZ3 C 13 121.400 0.40 . 1 . . . . 531 TRP CZ3 . 15469 1 248 . 1 1 23 23 TRP CZ2 C 13 114.400 0.40 . 1 . . . . 531 TRP CZ2 . 15469 1 249 . 1 1 23 23 TRP HE1 H 1 9.929 0.02 . 1 . . . . 531 TRP HE1 . 15469 1 250 . 1 1 23 23 TRP HZ3 H 1 6.256 0.02 . 1 . . . . 531 TRP HZ3 . 15469 1 251 . 1 1 23 23 TRP CH2 C 13 123.600 0.40 . 1 . . . . 531 TRP CH2 . 15469 1 252 . 1 1 23 23 TRP HZ2 H 1 7.178 0.02 . 1 . . . . 531 TRP HZ2 . 15469 1 253 . 1 1 23 23 TRP HH2 H 1 5.971 0.02 . 1 . . . . 531 TRP HH2 . 15469 1 254 . 1 1 23 23 TRP C C 13 177.028 0.40 . 1 . . . . 531 TRP C . 15469 1 255 . 1 1 24 24 ASN N N 15 121.587 0.40 . 1 . . . . 532 ASN N . 15469 1 256 . 1 1 24 24 ASN H H 1 9.315 0.02 . 1 . . . . 532 ASN H . 15469 1 257 . 1 1 24 24 ASN CA C 13 51.659 0.40 . 1 . . . . 532 ASN CA . 15469 1 258 . 1 1 24 24 ASN HA H 1 5.347 0.02 . 1 . . . . 532 ASN HA . 15469 1 259 . 1 1 24 24 ASN CB C 13 38.228 0.40 . 1 . . . . 532 ASN CB . 15469 1 260 . 1 1 24 24 ASN HB2 H 1 3.263 0.02 . 2 . . . . 532 ASN HB2 . 15469 1 261 . 1 1 24 24 ASN HB3 H 1 2.891 0.02 . 2 . . . . 532 ASN HB3 . 15469 1 262 . 1 1 24 24 ASN ND2 N 15 111.220 0.40 . 1 . . . . 532 ASN ND2 . 15469 1 263 . 1 1 24 24 ASN HD21 H 1 7.410 0.02 . 2 . . . . 532 ASN HD21 . 15469 1 264 . 1 1 24 24 ASN HD22 H 1 6.584 0.02 . 2 . . . . 532 ASN HD22 . 15469 1 265 . 1 1 24 24 ASN C C 13 175.211 0.40 . 1 . . . . 532 ASN C . 15469 1 266 . 1 1 25 25 LEU N N 15 119.723 0.40 . 1 . . . . 533 LEU N . 15469 1 267 . 1 1 25 25 LEU H H 1 8.516 0.02 . 1 . . . . 533 LEU H . 15469 1 268 . 1 1 25 25 LEU CA C 13 58.232 0.40 . 1 . . . . 533 LEU CA . 15469 1 269 . 1 1 25 25 LEU HA H 1 4.097 0.02 . 1 . . . . 533 LEU HA . 15469 1 270 . 1 1 25 25 LEU CB C 13 41.354 0.40 . 1 . . . . 533 LEU CB . 15469 1 271 . 1 1 25 25 LEU HB2 H 1 1.825 0.02 . 2 . . . . 533 LEU HB2 . 15469 1 272 . 1 1 25 25 LEU HB3 H 1 1.630 0.02 . 2 . . . . 533 LEU HB3 . 15469 1 273 . 1 1 25 25 LEU CG C 13 27.300 0.40 . 1 . . . . 533 LEU CG . 15469 1 274 . 1 1 25 25 LEU HG H 1 1.670 0.02 . 1 . . . . 533 LEU HG . 15469 1 275 . 1 1 25 25 LEU HD11 H 1 1.051 0.02 . 2 . . . . 533 LEU QD1 . 15469 1 276 . 1 1 25 25 LEU HD12 H 1 1.051 0.02 . 2 . . . . 533 LEU QD1 . 15469 1 277 . 1 1 25 25 LEU HD13 H 1 1.051 0.02 . 2 . . . . 533 LEU QD1 . 15469 1 278 . 1 1 25 25 LEU HD21 H 1 0.980 0.02 . 2 . . . . 533 LEU QD2 . 15469 1 279 . 1 1 25 25 LEU HD22 H 1 0.980 0.02 . 2 . . . . 533 LEU QD2 . 15469 1 280 . 1 1 25 25 LEU HD23 H 1 0.980 0.02 . 2 . . . . 533 LEU QD2 . 15469 1 281 . 1 1 25 25 LEU CD1 C 13 26.994 0.40 . 2 . . . . 533 LEU CD1 . 15469 1 282 . 1 1 25 25 LEU CD2 C 13 23.240 0.40 . 2 . . . . 533 LEU CD2 . 15469 1 283 . 1 1 25 25 LEU C C 13 178.306 0.40 . 1 . . . . 533 LEU C . 15469 1 284 . 1 1 26 26 ARG N N 15 117.704 0.40 . 1 . . . . 534 ARG+ N . 15469 1 285 . 1 1 26 26 ARG H H 1 8.068 0.02 . 1 . . . . 534 ARG+ H . 15469 1 286 . 1 1 26 26 ARG CA C 13 59.780 0.40 . 1 . . . . 534 ARG+ CA . 15469 1 287 . 1 1 26 26 ARG HA H 1 3.836 0.02 . 1 . . . . 534 ARG+ HA . 15469 1 288 . 1 1 26 26 ARG CB C 13 28.885 0.40 . 1 . . . . 534 ARG+ CB . 15469 1 289 . 1 1 26 26 ARG HB2 H 1 1.807 0.02 . 2 . . . . 534 ARG+ QB . 15469 1 290 . 1 1 26 26 ARG CG C 13 27.244 0.40 . 1 . . . . 534 ARG+ CG . 15469 1 291 . 1 1 26 26 ARG HG2 H 1 1.662 0.02 . 2 . . . . 534 ARG+ HG2 . 15469 1 292 . 1 1 26 26 ARG HG3 H 1 1.460 0.02 . 2 . . . . 534 ARG+ HG3 . 15469 1 293 . 1 1 26 26 ARG CD C 13 42.934 0.40 . 1 . . . . 534 ARG+ CD . 15469 1 294 . 1 1 26 26 ARG HD2 H 1 3.124 0.02 . 2 . . . . 534 ARG+ QD . 15469 1 295 . 1 1 26 26 ARG C C 13 179.594 0.40 . 1 . . . . 534 ARG+ C . 15469 1 296 . 1 1 27 27 GLU N N 15 121.347 0.40 . 1 . . . . 535 GLU- N . 15469 1 297 . 1 1 27 27 GLU H H 1 8.319 0.02 . 1 . . . . 535 GLU- H . 15469 1 298 . 1 1 27 27 GLU CA C 13 58.532 0.40 . 1 . . . . 535 GLU- CA . 15469 1 299 . 1 1 27 27 GLU HA H 1 3.711 0.02 . 1 . . . . 535 GLU- HA . 15469 1 300 . 1 1 27 27 GLU CB C 13 29.177 0.40 . 1 . . . . 535 GLU- CB . 15469 1 301 . 1 1 27 27 GLU HB2 H 1 2.145 0.02 . 2 . . . . 535 GLU- HB2 . 15469 1 302 . 1 1 27 27 GLU HB3 H 1 1.148 0.02 . 2 . . . . 535 GLU- HB3 . 15469 1 303 . 1 1 27 27 GLU CG C 13 36.681 0.40 . 1 . . . . 535 GLU- CG . 15469 1 304 . 1 1 27 27 GLU HG2 H 1 2.185 0.02 . 2 . . . . 535 GLU- HG2 . 15469 1 305 . 1 1 27 27 GLU HG3 H 1 1.824 0.02 . 2 . . . . 535 GLU- HG3 . 15469 1 306 . 1 1 27 27 GLU C C 13 179.945 0.40 . 1 . . . . 535 GLU- C . 15469 1 307 . 1 1 28 28 MET N N 15 120.214 0.40 . 1 . . . . 536 MET N . 15469 1 308 . 1 1 28 28 MET H H 1 8.633 0.02 . 1 . . . . 536 MET H . 15469 1 309 . 1 1 28 28 MET CA C 13 60.396 0.40 . 1 . . . . 536 MET CA . 15469 1 310 . 1 1 28 28 MET HA H 1 3.962 0.02 . 1 . . . . 536 MET HA . 15469 1 311 . 1 1 28 28 MET CB C 13 34.489 0.40 . 1 . . . . 536 MET CB . 15469 1 312 . 1 1 28 28 MET HB2 H 1 2.384 0.02 . 2 . . . . 536 MET HB2 . 15469 1 313 . 1 1 28 28 MET HB3 H 1 2.316 0.02 . 2 . . . . 536 MET HB3 . 15469 1 314 . 1 1 28 28 MET CG C 13 32.926 0.40 . 1 . . . . 536 MET CG . 15469 1 315 . 1 1 28 28 MET HG2 H 1 2.989 0.02 . 2 . . . . 536 MET HG2 . 15469 1 316 . 1 1 28 28 MET HG3 H 1 2.305 0.02 . 2 . . . . 536 MET HG3 . 15469 1 317 . 1 1 28 28 MET HE1 H 1 2.056 0.02 . 1 . . . . 536 MET QE . 15469 1 318 . 1 1 28 28 MET HE2 H 1 2.056 0.02 . 1 . . . . 536 MET QE . 15469 1 319 . 1 1 28 28 MET HE3 H 1 2.056 0.02 . 1 . . . . 536 MET QE . 15469 1 320 . 1 1 28 28 MET CE C 13 16.666 0.40 . 1 . . . . 536 MET CE . 15469 1 321 . 1 1 28 28 MET C C 13 177.361 0.40 . 1 . . . . 536 MET C . 15469 1 322 . 1 1 29 29 LEU N N 15 118.596 0.40 . 1 . . . . 537 LEU N . 15469 1 323 . 1 1 29 29 LEU H H 1 8.715 0.02 . 1 . . . . 537 LEU H . 15469 1 324 . 1 1 29 29 LEU CA C 13 57.601 0.40 . 1 . . . . 537 LEU CA . 15469 1 325 . 1 1 29 29 LEU HA H 1 3.970 0.02 . 1 . . . . 537 LEU HA . 15469 1 326 . 1 1 29 29 LEU CB C 13 41.393 0.40 . 1 . . . . 537 LEU CB . 15469 1 327 . 1 1 29 29 LEU HB2 H 1 1.956 0.02 . 2 . . . . 537 LEU HB2 . 15469 1 328 . 1 1 29 29 LEU HB3 H 1 1.657 0.02 . 2 . . . . 537 LEU HB3 . 15469 1 329 . 1 1 29 29 LEU CG C 13 27.001 0.40 . 1 . . . . 537 LEU CG . 15469 1 330 . 1 1 29 29 LEU HG H 1 1.950 0.02 . 1 . . . . 537 LEU HG . 15469 1 331 . 1 1 29 29 LEU HD11 H 1 1.249 0.02 . 2 . . . . 537 LEU QD1 . 15469 1 332 . 1 1 29 29 LEU HD12 H 1 1.249 0.02 . 2 . . . . 537 LEU QD1 . 15469 1 333 . 1 1 29 29 LEU HD13 H 1 1.249 0.02 . 2 . . . . 537 LEU QD1 . 15469 1 334 . 1 1 29 29 LEU HD21 H 1 0.920 0.02 . 2 . . . . 537 LEU QD2 . 15469 1 335 . 1 1 29 29 LEU HD22 H 1 0.920 0.02 . 2 . . . . 537 LEU QD2 . 15469 1 336 . 1 1 29 29 LEU HD23 H 1 0.920 0.02 . 2 . . . . 537 LEU QD2 . 15469 1 337 . 1 1 29 29 LEU CD1 C 13 23.240 0.40 . 2 . . . . 537 LEU CD1 . 15469 1 338 . 1 1 29 29 LEU CD2 C 13 26.017 0.40 . 2 . . . . 537 LEU CD2 . 15469 1 339 . 1 1 29 29 LEU C C 13 178.541 0.40 . 1 . . . . 537 LEU C . 15469 1 340 . 1 1 30 30 ALA N N 15 120.100 0.40 . 1 . . . . 538 ALA N . 15469 1 341 . 1 1 30 30 ALA H H 1 7.824 0.02 . 1 . . . . 538 ALA H . 15469 1 342 . 1 1 30 30 ALA CA C 13 54.481 0.40 . 1 . . . . 538 ALA CA . 15469 1 343 . 1 1 30 30 ALA HA H 1 4.025 0.02 . 1 . . . . 538 ALA HA . 15469 1 344 . 1 1 30 30 ALA HB1 H 1 1.306 0.02 . 1 . . . . 538 ALA QB . 15469 1 345 . 1 1 30 30 ALA HB2 H 1 1.306 0.02 . 1 . . . . 538 ALA QB . 15469 1 346 . 1 1 30 30 ALA HB3 H 1 1.306 0.02 . 1 . . . . 538 ALA QB . 15469 1 347 . 1 1 30 30 ALA CB C 13 17.610 0.40 . 1 . . . . 538 ALA CB . 15469 1 348 . 1 1 30 30 ALA C C 13 180.371 0.40 . 1 . . . . 538 ALA C . 15469 1 349 . 1 1 31 31 HIS N N 15 117.446 0.40 . 1 . . . . 539 HIS N . 15469 1 350 . 1 1 31 31 HIS H H 1 7.738 0.02 . 1 . . . . 539 HIS H . 15469 1 351 . 1 1 31 31 HIS CA C 13 59.163 0.40 . 1 . . . . 539 HIS CA . 15469 1 352 . 1 1 31 31 HIS HA H 1 4.196 0.02 . 1 . . . . 539 HIS HA . 15469 1 353 . 1 1 31 31 HIS CB C 13 29.190 0.40 . 1 . . . . 539 HIS CB . 15469 1 354 . 1 1 31 31 HIS HB2 H 1 3.187 0.02 . 2 . . . . 539 HIS HB2 . 15469 1 355 . 1 1 31 31 HIS HB3 H 1 2.748 0.02 . 2 . . . . 539 HIS HB3 . 15469 1 356 . 1 1 31 31 HIS CD2 C 13 126.270 0.40 . 1 . . . . 539 HIS CD2 . 15469 1 357 . 1 1 31 31 HIS HD2 H 1 6.463 0.02 . 1 . . . . 539 HIS HD2 . 15469 1 358 . 1 1 31 31 HIS C C 13 179.164 0.40 . 1 . . . . 539 HIS C . 15469 1 359 . 1 1 32 32 ALA N N 15 124.070 0.40 . 1 . . . . 540 ALA N . 15469 1 360 . 1 1 32 32 ALA H H 1 8.988 0.02 . 1 . . . . 540 ALA H . 15469 1 361 . 1 1 32 32 ALA CA C 13 55.434 0.40 . 1 . . . . 540 ALA CA . 15469 1 362 . 1 1 32 32 ALA HA H 1 3.655 0.02 . 1 . . . . 540 ALA HA . 15469 1 363 . 1 1 32 32 ALA HB1 H 1 1.419 0.02 . 1 . . . . 540 ALA QB . 15469 1 364 . 1 1 32 32 ALA HB2 H 1 1.419 0.02 . 1 . . . . 540 ALA QB . 15469 1 365 . 1 1 32 32 ALA HB3 H 1 1.419 0.02 . 1 . . . . 540 ALA QB . 15469 1 366 . 1 1 32 32 ALA CB C 13 18.255 0.40 . 1 . . . . 540 ALA CB . 15469 1 367 . 1 1 32 32 ALA C C 13 180.800 0.40 . 1 . . . . 540 ALA C . 15469 1 368 . 1 1 33 33 GLU N N 15 121.015 0.40 . 1 . . . . 541 GLU- N . 15469 1 369 . 1 1 33 33 GLU H H 1 8.851 0.02 . 1 . . . . 541 GLU- H . 15469 1 370 . 1 1 33 33 GLU CA C 13 59.476 0.40 . 1 . . . . 541 GLU- CA . 15469 1 371 . 1 1 33 33 GLU HA H 1 3.684 0.02 . 1 . . . . 541 GLU- HA . 15469 1 372 . 1 1 33 33 GLU CB C 13 29.775 0.40 . 1 . . . . 541 GLU- CB . 15469 1 373 . 1 1 33 33 GLU HB2 H 1 2.121 0.02 . 2 . . . . 541 GLU- HB2 . 15469 1 374 . 1 1 33 33 GLU HB3 H 1 1.933 0.02 . 2 . . . . 541 GLU- HB3 . 15469 1 375 . 1 1 33 33 GLU CG C 13 36.886 0.40 . 1 . . . . 541 GLU- CG . 15469 1 376 . 1 1 33 33 GLU HG2 H 1 2.321 0.02 . 2 . . . . 541 GLU- HG2 . 15469 1 377 . 1 1 33 33 GLU HG3 H 1 2.065 0.02 . 2 . . . . 541 GLU- HG3 . 15469 1 378 . 1 1 33 33 GLU C C 13 178.476 0.40 . 1 . . . . 541 GLU- C . 15469 1 379 . 1 1 34 34 GLU N N 15 116.851 0.40 . 1 . . . . 542 GLU- N . 15469 1 380 . 1 1 34 34 GLU H H 1 7.632 0.02 . 1 . . . . 542 GLU- H . 15469 1 381 . 1 1 34 34 GLU CA C 13 58.230 0.40 . 1 . . . . 542 GLU- CA . 15469 1 382 . 1 1 34 34 GLU HA H 1 3.984 0.02 . 1 . . . . 542 GLU- HA . 15469 1 383 . 1 1 34 34 GLU CB C 13 30.110 0.40 . 1 . . . . 542 GLU- CB . 15469 1 384 . 1 1 34 34 GLU HB2 H 1 2.047 0.02 . 2 . . . . 542 GLU- HB2 . 15469 1 385 . 1 1 34 34 GLU HB3 H 1 1.903 0.02 . 2 . . . . 542 GLU- HB3 . 15469 1 386 . 1 1 34 34 GLU CG C 13 35.731 0.40 . 1 . . . . 542 GLU- CG . 15469 1 387 . 1 1 34 34 GLU HG2 H 1 2.240 0.02 . 2 . . . . 542 GLU- HG2 . 15469 1 388 . 1 1 34 34 GLU HG3 H 1 2.129 0.02 . 2 . . . . 542 GLU- HG3 . 15469 1 389 . 1 1 34 34 GLU C C 13 178.209 0.40 . 1 . . . . 542 GLU- C . 15469 1 390 . 1 1 35 35 THR N N 15 105.023 0.40 . 1 . . . . 543 THR N . 15469 1 391 . 1 1 35 35 THR H H 1 7.577 0.02 . 1 . . . . 543 THR H . 15469 1 392 . 1 1 35 35 THR CA C 13 61.952 0.40 . 1 . . . . 543 THR CA . 15469 1 393 . 1 1 35 35 THR HA H 1 4.105 0.02 . 1 . . . . 543 THR HA . 15469 1 394 . 1 1 35 35 THR CB C 13 70.549 0.40 . 1 . . . . 543 THR CB . 15469 1 395 . 1 1 35 35 THR HB H 1 3.996 0.02 . 1 . . . . 543 THR HB . 15469 1 396 . 1 1 35 35 THR HG21 H 1 0.769 0.02 . 1 . . . . 543 THR QG2 . 15469 1 397 . 1 1 35 35 THR HG22 H 1 0.769 0.02 . 1 . . . . 543 THR QG2 . 15469 1 398 . 1 1 35 35 THR HG23 H 1 0.769 0.02 . 1 . . . . 543 THR QG2 . 15469 1 399 . 1 1 35 35 THR CG2 C 13 20.725 0.40 . 1 . . . . 543 THR CG2 . 15469 1 400 . 1 1 35 35 THR C C 13 175.317 0.40 . 1 . . . . 543 THR C . 15469 1 401 . 1 1 36 36 ARG N N 15 116.405 0.40 . 1 . . . . 544 ARG+ N . 15469 1 402 . 1 1 36 36 ARG H H 1 7.686 0.02 . 1 . . . . 544 ARG+ H . 15469 1 403 . 1 1 36 36 ARG CA C 13 55.993 0.40 . 1 . . . . 544 ARG+ CA . 15469 1 404 . 1 1 36 36 ARG HA H 1 3.925 0.02 . 1 . . . . 544 ARG+ HA . 15469 1 405 . 1 1 36 36 ARG CB C 13 24.869 0.40 . 1 . . . . 544 ARG+ CB . 15469 1 406 . 1 1 36 36 ARG HB2 H 1 2.003 0.02 . 2 . . . . 544 ARG+ HB2 . 15469 1 407 . 1 1 36 36 ARG HB3 H 1 1.954 0.02 . 2 . . . . 544 ARG+ HB3 . 15469 1 408 . 1 1 36 36 ARG CG C 13 25.701 0.40 . 1 . . . . 544 ARG+ CG . 15469 1 409 . 1 1 36 36 ARG HG2 H 1 1.582 0.02 . 2 . . . . 544 ARG+ HG2 . 15469 1 410 . 1 1 36 36 ARG HG3 H 1 1.433 0.02 . 2 . . . . 544 ARG+ HG3 . 15469 1 411 . 1 1 36 36 ARG CD C 13 41.590 0.40 . 1 . . . . 544 ARG+ CD . 15469 1 412 . 1 1 36 36 ARG HD2 H 1 3.115 0.02 . 2 . . . . 544 ARG+ HD2 . 15469 1 413 . 1 1 36 36 ARG HD3 H 1 3.014 0.02 . 2 . . . . 544 ARG+ HD3 . 15469 1 414 . 1 1 36 36 ARG C C 13 175.204 0.40 . 1 . . . . 544 ARG+ C . 15469 1 415 . 1 1 37 37 LYS N N 15 117.732 0.40 . 1 . . . . 545 LYS+ N . 15469 1 416 . 1 1 37 37 LYS H H 1 6.947 0.02 . 1 . . . . 545 LYS+ H . 15469 1 417 . 1 1 37 37 LYS CA C 13 56.336 0.40 . 1 . . . . 545 LYS+ CA . 15469 1 418 . 1 1 37 37 LYS HA H 1 4.142 0.02 . 1 . . . . 545 LYS+ HA . 15469 1 419 . 1 1 37 37 LYS CB C 13 35.980 0.40 . 1 . . . . 545 LYS+ CB . 15469 1 420 . 1 1 37 37 LYS HB2 H 1 1.654 0.02 . 2 . . . . 545 LYS+ HB2 . 15469 1 421 . 1 1 37 37 LYS HB3 H 1 1.032 0.02 . 2 . . . . 545 LYS+ HB3 . 15469 1 422 . 1 1 37 37 LYS CG C 13 26.679 0.40 . 1 . . . . 545 LYS+ CG . 15469 1 423 . 1 1 37 37 LYS HG2 H 1 1.312 0.02 . 2 . . . . 545 LYS+ HG2 . 15469 1 424 . 1 1 37 37 LYS HG3 H 1 1.008 0.02 . 2 . . . . 545 LYS+ HG3 . 15469 1 425 . 1 1 37 37 LYS CD C 13 30.586 0.40 . 1 . . . . 545 LYS+ CD . 15469 1 426 . 1 1 37 37 LYS HD2 H 1 1.308 0.02 . 2 . . . . 545 LYS+ HD2 . 15469 1 427 . 1 1 37 37 LYS HD3 H 1 1.370 0.02 . 2 . . . . 545 LYS+ HD3 . 15469 1 428 . 1 1 37 37 LYS CE C 13 41.990 0.40 . 1 . . . . 545 LYS+ CE . 15469 1 429 . 1 1 37 37 LYS HE2 H 1 2.711 0.02 . 2 . . . . 545 LYS+ QE . 15469 1 430 . 1 1 37 37 LYS C C 13 174.852 0.40 . 1 . . . . 545 LYS+ C . 15469 1 431 . 1 1 38 38 LEU N N 15 122.692 0.40 . 1 . . . . 546 LEU N . 15469 1 432 . 1 1 38 38 LEU H H 1 7.930 0.02 . 1 . . . . 546 LEU H . 15469 1 433 . 1 1 38 38 LEU CA C 13 54.168 0.40 . 1 . . . . 546 LEU CA . 15469 1 434 . 1 1 38 38 LEU HA H 1 4.470 0.02 . 1 . . . . 546 LEU HA . 15469 1 435 . 1 1 38 38 LEU CB C 13 43.225 0.40 . 1 . . . . 546 LEU CB . 15469 1 436 . 1 1 38 38 LEU HB2 H 1 1.577 0.02 . 2 . . . . 546 LEU HB2 . 15469 1 437 . 1 1 38 38 LEU HB3 H 1 1.326 0.02 . 2 . . . . 546 LEU HB3 . 15469 1 438 . 1 1 38 38 LEU CG C 13 26.841 0.40 . 1 . . . . 546 LEU CG . 15469 1 439 . 1 1 38 38 LEU HG H 1 1.126 0.02 . 1 . . . . 546 LEU HG . 15469 1 440 . 1 1 38 38 LEU HD11 H 1 0.551 0.02 . 2 . . . . 546 LEU QD1 . 15469 1 441 . 1 1 38 38 LEU HD12 H 1 0.551 0.02 . 2 . . . . 546 LEU QD1 . 15469 1 442 . 1 1 38 38 LEU HD13 H 1 0.551 0.02 . 2 . . . . 546 LEU QD1 . 15469 1 443 . 1 1 38 38 LEU HD21 H 1 0.627 0.02 . 2 . . . . 546 LEU QD2 . 15469 1 444 . 1 1 38 38 LEU HD22 H 1 0.627 0.02 . 2 . . . . 546 LEU QD2 . 15469 1 445 . 1 1 38 38 LEU HD23 H 1 0.627 0.02 . 2 . . . . 546 LEU QD2 . 15469 1 446 . 1 1 38 38 LEU CD1 C 13 26.044 0.40 . 2 . . . . 546 LEU CD1 . 15469 1 447 . 1 1 38 38 LEU CD2 C 13 24.659 0.40 . 2 . . . . 546 LEU CD2 . 15469 1 448 . 1 1 38 38 LEU C C 13 175.727 0.40 . 1 . . . . 546 LEU C . 15469 1 449 . 1 1 39 39 MET N N 15 126.335 0.40 . 1 . . . . 547 MET N . 15469 1 450 . 1 1 39 39 MET H H 1 8.802 0.02 . 1 . . . . 547 MET H . 15469 1 451 . 1 1 39 39 MET CA C 13 51.671 0.40 . 1 . . . . 547 MET CA . 15469 1 452 . 1 1 39 39 MET HA H 1 5.732 0.02 . 1 . . . . 547 MET HA . 15469 1 453 . 1 1 39 39 MET CB C 13 34.788 0.40 . 1 . . . . 547 MET CB . 15469 1 454 . 1 1 39 39 MET HB2 H 1 1.962 0.02 . 2 . . . . 547 MET HB2 . 15469 1 455 . 1 1 39 39 MET HB3 H 1 1.154 0.02 . 2 . . . . 547 MET HB3 . 15469 1 456 . 1 1 39 39 MET CG C 13 32.293 0.40 . 1 . . . . 547 MET CG . 15469 1 457 . 1 1 39 39 MET HG2 H 1 2.303 0.02 . 2 . . . . 547 MET HG2 . 15469 1 458 . 1 1 39 39 MET HG3 H 1 2.696 0.02 . 2 . . . . 547 MET HG3 . 15469 1 459 . 1 1 39 39 MET HE1 H 1 2.024 0.02 . 1 . . . . 547 MET QE . 15469 1 460 . 1 1 39 39 MET HE2 H 1 2.024 0.02 . 1 . . . . 547 MET QE . 15469 1 461 . 1 1 39 39 MET HE3 H 1 2.024 0.02 . 1 . . . . 547 MET QE . 15469 1 462 . 1 1 39 39 MET CE C 13 19.500 0.40 . 1 . . . . 547 MET CE . 15469 1 463 . 1 1 40 40 PRO CD C 13 51.112 0.40 . 1 . . . . 548 PRO CD . 15469 1 464 . 1 1 40 40 PRO CA C 13 61.050 0.40 . 1 . . . . 548 PRO CA . 15469 1 465 . 1 1 40 40 PRO HA H 1 6.003 0.02 . 1 . . . . 548 PRO HA . 15469 1 466 . 1 1 40 40 PRO CB C 13 31.880 0.40 . 1 . . . . 548 PRO CB . 15469 1 467 . 1 1 40 40 PRO HB2 H 1 2.390 0.02 . 2 . . . . 548 PRO HB2 . 15469 1 468 . 1 1 40 40 PRO HB3 H 1 2.340 0.02 . 2 . . . . 548 PRO HB3 . 15469 1 469 . 1 1 40 40 PRO CG C 13 29.170 0.40 . 1 . . . . 548 PRO CG . 15469 1 470 . 1 1 40 40 PRO HG2 H 1 1.990 0.02 . 2 . . . . 548 PRO HG2 . 15469 1 471 . 1 1 40 40 PRO HG3 H 1 1.540 0.02 . 2 . . . . 548 PRO HG3 . 15469 1 472 . 1 1 40 40 PRO HD2 H 1 4.011 0.02 . 2 . . . . 548 PRO QD . 15469 1 473 . 1 1 40 40 PRO C C 13 176.238 0.40 . 1 . . . . 548 PRO C . 15469 1 474 . 1 1 41 41 ILE N N 15 126.335 0.40 . 1 . . . . 549 ILE N . 15469 1 475 . 1 1 41 41 ILE H H 1 9.044 0.02 . 1 . . . . 549 ILE H . 15469 1 476 . 1 1 41 41 ILE CA C 13 57.247 0.40 . 1 . . . . 549 ILE CA . 15469 1 477 . 1 1 41 41 ILE HA H 1 4.279 0.02 . 1 . . . . 549 ILE HA . 15469 1 478 . 1 1 41 41 ILE CB C 13 41.491 0.40 . 1 . . . . 549 ILE CB . 15469 1 479 . 1 1 41 41 ILE HB H 1 1.774 0.02 . 1 . . . . 549 ILE HB . 15469 1 480 . 1 1 41 41 ILE HG21 H 1 0.713 0.02 . 1 . . . . 549 ILE QG2 . 15469 1 481 . 1 1 41 41 ILE HG22 H 1 0.713 0.02 . 1 . . . . 549 ILE QG2 . 15469 1 482 . 1 1 41 41 ILE HG23 H 1 0.713 0.02 . 1 . . . . 549 ILE QG2 . 15469 1 483 . 1 1 41 41 ILE CG2 C 13 18.745 0.40 . 1 . . . . 549 ILE CG2 . 15469 1 484 . 1 1 41 41 ILE CG1 C 13 26.350 0.40 . 1 . . . . 549 ILE CG1 . 15469 1 485 . 1 1 41 41 ILE HG12 H 1 1.610 0.02 . 2 . . . . 549 ILE HG12 . 15469 1 486 . 1 1 41 41 ILE HG13 H 1 1.261 0.02 . 2 . . . . 549 ILE HG13 . 15469 1 487 . 1 1 41 41 ILE HD11 H 1 0.873 0.02 . 1 . . . . 549 ILE QD1 . 15469 1 488 . 1 1 41 41 ILE HD12 H 1 0.873 0.02 . 1 . . . . 549 ILE QD1 . 15469 1 489 . 1 1 41 41 ILE HD13 H 1 0.873 0.02 . 1 . . . . 549 ILE QD1 . 15469 1 490 . 1 1 41 41 ILE CD1 C 13 10.110 0.40 . 1 . . . . 549 ILE CD1 . 15469 1 491 . 1 1 41 41 ILE C C 13 173.404 0.40 . 1 . . . . 549 ILE C . 15469 1 492 . 1 1 42 42 CYS N N 15 125.844 0.40 . 1 . . . . 550 CYS N . 15469 1 493 . 1 1 42 42 CYS H H 1 8.443 0.02 . 1 . . . . 550 CYS H . 15469 1 494 . 1 1 42 42 CYS CA C 13 56.658 0.40 . 1 . . . . 550 CYS CA . 15469 1 495 . 1 1 42 42 CYS HA H 1 3.688 0.02 . 1 . . . . 550 CYS HA . 15469 1 496 . 1 1 42 42 CYS CB C 13 27.605 0.40 . 1 . . . . 550 CYS CB . 15469 1 497 . 1 1 42 42 CYS HB2 H 1 2.743 0.02 . 2 . . . . 550 CYS HB2 . 15469 1 498 . 1 1 42 42 CYS HB3 H 1 2.652 0.02 . 2 . . . . 550 CYS HB3 . 15469 1 499 . 1 1 42 42 CYS HG H 1 1.467 0.02 . 1 . . . . 550 CYS HG . 15469 1 500 . 1 1 42 42 CYS C C 13 174.177 0.40 . 1 . . . . 550 CYS C . 15469 1 501 . 1 1 43 43 MET N N 15 127.408 0.40 . 1 . . . . 551 MET N . 15469 1 502 . 1 1 43 43 MET H H 1 8.791 0.02 . 1 . . . . 551 MET H . 15469 1 503 . 1 1 43 43 MET CA C 13 56.661 0.40 . 1 . . . . 551 MET CA . 15469 1 504 . 1 1 43 43 MET HA H 1 4.637 0.02 . 1 . . . . 551 MET HA . 15469 1 505 . 1 1 43 43 MET CB C 13 34.182 0.40 . 1 . . . . 551 MET CB . 15469 1 506 . 1 1 43 43 MET HB2 H 1 1.840 0.02 . 2 . . . . 551 MET HB2 . 15469 1 507 . 1 1 43 43 MET HB3 H 1 1.640 0.02 . 2 . . . . 551 MET HB3 . 15469 1 508 . 1 1 43 43 MET CG C 13 30.100 0.40 . 1 . . . . 551 MET CG . 15469 1 509 . 1 1 43 43 MET HG2 H 1 2.128 0.02 . 2 . . . . 551 MET HG2 . 15469 1 510 . 1 1 43 43 MET HG3 H 1 1.980 0.02 . 2 . . . . 551 MET HG3 . 15469 1 511 . 1 1 43 43 MET HE1 H 1 1.569 0.02 . 1 . . . . 551 MET QE . 15469 1 512 . 1 1 43 43 MET HE2 H 1 1.569 0.02 . 1 . . . . 551 MET QE . 15469 1 513 . 1 1 43 43 MET HE3 H 1 1.569 0.02 . 1 . . . . 551 MET QE . 15469 1 514 . 1 1 43 43 MET CE C 13 15.740 0.40 . 1 . . . . 551 MET CE . 15469 1 515 . 1 1 43 43 MET C C 13 174.610 0.40 . 1 . . . . 551 MET C . 15469 1 516 . 1 1 44 44 ASP N N 15 117.092 0.40 . 1 . . . . 552 ASP- N . 15469 1 517 . 1 1 44 44 ASP H H 1 7.298 0.02 . 1 . . . . 552 ASP- H . 15469 1 518 . 1 1 44 44 ASP CA C 13 54.154 0.40 . 1 . . . . 552 ASP- CA . 15469 1 519 . 1 1 44 44 ASP HA H 1 4.557 0.02 . 1 . . . . 552 ASP- HA . 15469 1 520 . 1 1 44 44 ASP CB C 13 41.675 0.40 . 1 . . . . 552 ASP- CB . 15469 1 521 . 1 1 44 44 ASP HB2 H 1 2.887 0.02 . 2 . . . . 552 ASP- HB2 . 15469 1 522 . 1 1 44 44 ASP HB3 H 1 2.324 0.02 . 2 . . . . 552 ASP- HB3 . 15469 1 523 . 1 1 44 44 ASP C C 13 175.383 0.40 . 1 . . . . 552 ASP- C . 15469 1 524 . 1 1 45 45 VAL N N 15 120.523 0.40 . 1 . . . . 553 VAL N . 15469 1 525 . 1 1 45 45 VAL H H 1 7.248 0.02 . 1 . . . . 553 VAL H . 15469 1 526 . 1 1 45 45 VAL CA C 13 61.655 0.40 . 1 . . . . 553 VAL CA . 15469 1 527 . 1 1 45 45 VAL HA H 1 4.048 0.02 . 1 . . . . 553 VAL HA . 15469 1 528 . 1 1 45 45 VAL CB C 13 29.969 0.40 . 1 . . . . 553 VAL CB . 15469 1 529 . 1 1 45 45 VAL HB H 1 2.217 0.02 . 1 . . . . 553 VAL HB . 15469 1 530 . 1 1 45 45 VAL HG11 H 1 0.979 0.02 . 2 . . . . 553 VAL QG1 . 15469 1 531 . 1 1 45 45 VAL HG12 H 1 0.979 0.02 . 2 . . . . 553 VAL QG1 . 15469 1 532 . 1 1 45 45 VAL HG13 H 1 0.979 0.02 . 2 . . . . 553 VAL QG1 . 15469 1 533 . 1 1 45 45 VAL HG21 H 1 0.859 0.02 . 2 . . . . 553 VAL QG2 . 15469 1 534 . 1 1 45 45 VAL HG22 H 1 0.859 0.02 . 2 . . . . 553 VAL QG2 . 15469 1 535 . 1 1 45 45 VAL HG23 H 1 0.859 0.02 . 2 . . . . 553 VAL QG2 . 15469 1 536 . 1 1 45 45 VAL CG1 C 13 21.970 0.40 . 2 . . . . 553 VAL CG1 . 15469 1 537 . 1 1 45 45 VAL CG2 C 13 20.612 0.40 . 2 . . . . 553 VAL CG2 . 15469 1 538 . 1 1 45 45 VAL C C 13 175.726 0.40 . 1 . . . . 553 VAL C . 15469 1 539 . 1 1 46 46 ARG N N 15 130.468 0.40 . 1 . . . . 554 ARG+ N . 15469 1 540 . 1 1 46 46 ARG H H 1 8.427 0.02 . 1 . . . . 554 ARG+ H . 15469 1 541 . 1 1 46 46 ARG CA C 13 59.475 0.40 . 1 . . . . 554 ARG+ CA . 15469 1 542 . 1 1 46 46 ARG HA H 1 3.789 0.02 . 1 . . . . 554 ARG+ HA . 15469 1 543 . 1 1 46 46 ARG CB C 13 29.534 0.40 . 1 . . . . 554 ARG+ CB . 15469 1 544 . 1 1 46 46 ARG HB2 H 1 1.762 0.02 . 2 . . . . 554 ARG+ QB . 15469 1 545 . 1 1 46 46 ARG CG C 13 26.877 0.40 . 1 . . . . 554 ARG+ CG . 15469 1 546 . 1 1 46 46 ARG HG2 H 1 1.579 0.02 . 2 . . . . 554 ARG+ QG . 15469 1 547 . 1 1 46 46 ARG CD C 13 42.922 0.40 . 1 . . . . 554 ARG+ CD . 15469 1 548 . 1 1 46 46 ARG HD2 H 1 3.128 0.02 . 2 . . . . 554 ARG+ QD . 15469 1 549 . 1 1 46 46 ARG C C 13 178.816 0.40 . 1 . . . . 554 ARG+ C . 15469 1 550 . 1 1 47 47 ALA N N 15 119.780 0.40 . 1 . . . . 555 ALA N . 15469 1 551 . 1 1 47 47 ALA H H 1 9.108 0.02 . 1 . . . . 555 ALA H . 15469 1 552 . 1 1 47 47 ALA CA C 13 54.786 0.40 . 1 . . . . 555 ALA CA . 15469 1 553 . 1 1 47 47 ALA HA H 1 4.081 0.02 . 1 . . . . 555 ALA HA . 15469 1 554 . 1 1 47 47 ALA HB1 H 1 1.358 0.02 . 1 . . . . 555 ALA QB . 15469 1 555 . 1 1 47 47 ALA HB2 H 1 1.358 0.02 . 1 . . . . 555 ALA QB . 15469 1 556 . 1 1 47 47 ALA HB3 H 1 1.358 0.02 . 1 . . . . 555 ALA QB . 15469 1 557 . 1 1 47 47 ALA CB C 13 18.281 0.40 . 1 . . . . 555 ALA CB . 15469 1 558 . 1 1 47 47 ALA C C 13 180.713 0.40 . 1 . . . . 555 ALA C . 15469 1 559 . 1 1 48 48 ILE N N 15 116.142 0.40 . 1 . . . . 556 ILE N . 15469 1 560 . 1 1 48 48 ILE H H 1 6.620 0.02 . 1 . . . . 556 ILE H . 15469 1 561 . 1 1 48 48 ILE CA C 13 63.851 0.40 . 1 . . . . 556 ILE CA . 15469 1 562 . 1 1 48 48 ILE HA H 1 3.735 0.02 . 1 . . . . 556 ILE HA . 15469 1 563 . 1 1 48 48 ILE CB C 13 38.217 0.40 . 1 . . . . 556 ILE CB . 15469 1 564 . 1 1 48 48 ILE HB H 1 1.760 0.02 . 1 . . . . 556 ILE HB . 15469 1 565 . 1 1 48 48 ILE HG21 H 1 0.950 0.02 . 1 . . . . 556 ILE QG2 . 15469 1 566 . 1 1 48 48 ILE HG22 H 1 0.950 0.02 . 1 . . . . 556 ILE QG2 . 15469 1 567 . 1 1 48 48 ILE HG23 H 1 0.950 0.02 . 1 . . . . 556 ILE QG2 . 15469 1 568 . 1 1 48 48 ILE CG2 C 13 17.599 0.40 . 1 . . . . 556 ILE CG2 . 15469 1 569 . 1 1 48 48 ILE CG1 C 13 28.537 0.40 . 1 . . . . 556 ILE CG1 . 15469 1 570 . 1 1 48 48 ILE HG12 H 1 1.670 0.02 . 2 . . . . 556 ILE HG12 . 15469 1 571 . 1 1 48 48 ILE HG13 H 1 1.140 0.02 . 2 . . . . 556 ILE HG13 . 15469 1 572 . 1 1 48 48 ILE HD11 H 1 0.950 0.02 . 1 . . . . 556 ILE QD1 . 15469 1 573 . 1 1 48 48 ILE HD12 H 1 0.950 0.02 . 1 . . . . 556 ILE QD1 . 15469 1 574 . 1 1 48 48 ILE HD13 H 1 0.950 0.02 . 1 . . . . 556 ILE QD1 . 15469 1 575 . 1 1 48 48 ILE CD1 C 13 13.230 0.40 . 1 . . . . 556 ILE CD1 . 15469 1 576 . 1 1 48 48 ILE C C 13 177.537 0.40 . 1 . . . . 556 ILE C . 15469 1 577 . 1 1 49 49 MET N N 15 117.972 0.40 . 1 . . . . 557 MET N . 15469 1 578 . 1 1 49 49 MET H H 1 7.627 0.02 . 1 . . . . 557 MET H . 15469 1 579 . 1 1 49 49 MET CA C 13 55.731 0.40 . 1 . . . . 557 MET CA . 15469 1 580 . 1 1 49 49 MET HA H 1 4.242 0.02 . 1 . . . . 557 MET HA . 15469 1 581 . 1 1 49 49 MET CB C 13 29.487 0.40 . 1 . . . . 557 MET CB . 15469 1 582 . 1 1 49 49 MET HB2 H 1 1.760 0.02 . 2 . . . . 557 MET HB2 . 15469 1 583 . 1 1 49 49 MET HB3 H 1 1.917 0.02 . 2 . . . . 557 MET HB3 . 15469 1 584 . 1 1 49 49 MET CG C 13 31.647 0.40 . 1 . . . . 557 MET CG . 15469 1 585 . 1 1 49 49 MET HG2 H 1 2.601 0.02 . 2 . . . . 557 MET HG2 . 15469 1 586 . 1 1 49 49 MET HG3 H 1 2.291 0.02 . 2 . . . . 557 MET HG3 . 15469 1 587 . 1 1 49 49 MET HE1 H 1 1.522 0.02 . 1 . . . . 557 MET QE . 15469 1 588 . 1 1 49 49 MET HE2 H 1 1.522 0.02 . 1 . . . . 557 MET QE . 15469 1 589 . 1 1 49 49 MET HE3 H 1 1.522 0.02 . 1 . . . . 557 MET QE . 15469 1 590 . 1 1 49 49 MET CE C 13 16.331 0.40 . 1 . . . . 557 MET CE . 15469 1 591 . 1 1 49 49 MET C C 13 178.734 0.40 . 1 . . . . 557 MET C . 15469 1 592 . 1 1 50 50 ALA N N 15 121.530 0.40 . 1 . . . . 558 ALA N . 15469 1 593 . 1 1 50 50 ALA H H 1 8.436 0.02 . 1 . . . . 558 ALA H . 15469 1 594 . 1 1 50 50 ALA CA C 13 54.788 0.40 . 1 . . . . 558 ALA CA . 15469 1 595 . 1 1 50 50 ALA HA H 1 4.084 0.02 . 1 . . . . 558 ALA HA . 15469 1 596 . 1 1 50 50 ALA HB1 H 1 1.366 0.02 . 1 . . . . 558 ALA QB . 15469 1 597 . 1 1 50 50 ALA HB2 H 1 1.366 0.02 . 1 . . . . 558 ALA QB . 15469 1 598 . 1 1 50 50 ALA HB3 H 1 1.366 0.02 . 1 . . . . 558 ALA QB . 15469 1 599 . 1 1 50 50 ALA CB C 13 17.616 0.40 . 1 . . . . 558 ALA CB . 15469 1 600 . 1 1 50 50 ALA C C 13 180.629 0.40 . 1 . . . . 558 ALA C . 15469 1 601 . 1 1 51 51 THR N N 15 115.776 0.40 . 1 . . . . 559 THR N . 15469 1 602 . 1 1 51 51 THR H H 1 7.296 0.02 . 1 . . . . 559 THR H . 15469 1 603 . 1 1 51 51 THR CA C 13 66.362 0.40 . 1 . . . . 559 THR CA . 15469 1 604 . 1 1 51 51 THR HA H 1 3.854 0.02 . 1 . . . . 559 THR HA . 15469 1 605 . 1 1 51 51 THR CB C 13 68.541 0.40 . 1 . . . . 559 THR CB . 15469 1 606 . 1 1 51 51 THR HB H 1 4.089 0.02 . 1 . . . . 559 THR HB . 15469 1 607 . 1 1 51 51 THR HG21 H 1 1.117 0.02 . 1 . . . . 559 THR QG2 . 15469 1 608 . 1 1 51 51 THR HG22 H 1 1.117 0.02 . 1 . . . . 559 THR QG2 . 15469 1 609 . 1 1 51 51 THR HG23 H 1 1.117 0.02 . 1 . . . . 559 THR QG2 . 15469 1 610 . 1 1 51 51 THR CG2 C 13 21.358 0.40 . 1 . . . . 559 THR CG2 . 15469 1 611 . 1 1 51 51 THR C C 13 176.416 0.40 . 1 . . . . 559 THR C . 15469 1 612 . 1 1 52 52 ILE N N 15 121.805 0.40 . 1 . . . . 560 ILE N . 15469 1 613 . 1 1 52 52 ILE H H 1 8.106 0.02 . 1 . . . . 560 ILE H . 15469 1 614 . 1 1 52 52 ILE CA C 13 65.702 0.40 . 1 . . . . 560 ILE CA . 15469 1 615 . 1 1 52 52 ILE HA H 1 3.698 0.02 . 1 . . . . 560 ILE HA . 15469 1 616 . 1 1 52 52 ILE CB C 13 38.015 0.40 . 1 . . . . 560 ILE CB . 15469 1 617 . 1 1 52 52 ILE HB H 1 1.953 0.02 . 1 . . . . 560 ILE HB . 15469 1 618 . 1 1 52 52 ILE HG21 H 1 0.788 0.02 . 1 . . . . 560 ILE QG2 . 15469 1 619 . 1 1 52 52 ILE HG22 H 1 0.788 0.02 . 1 . . . . 560 ILE QG2 . 15469 1 620 . 1 1 52 52 ILE HG23 H 1 0.788 0.02 . 1 . . . . 560 ILE QG2 . 15469 1 621 . 1 1 52 52 ILE CG2 C 13 17.308 0.40 . 1 . . . . 560 ILE CG2 . 15469 1 622 . 1 1 52 52 ILE CG1 C 13 29.710 0.40 . 1 . . . . 560 ILE CG1 . 15469 1 623 . 1 1 52 52 ILE HG12 H 1 1.788 0.02 . 2 . . . . 560 ILE HG12 . 15469 1 624 . 1 1 52 52 ILE HG13 H 1 1.292 0.02 . 2 . . . . 560 ILE HG13 . 15469 1 625 . 1 1 52 52 ILE HD11 H 1 0.794 0.02 . 1 . . . . 560 ILE QD1 . 15469 1 626 . 1 1 52 52 ILE HD12 H 1 0.794 0.02 . 1 . . . . 560 ILE QD1 . 15469 1 627 . 1 1 52 52 ILE HD13 H 1 0.794 0.02 . 1 . . . . 560 ILE QD1 . 15469 1 628 . 1 1 52 52 ILE CD1 C 13 14.489 0.40 . 1 . . . . 560 ILE CD1 . 15469 1 629 . 1 1 52 52 ILE C C 13 176.931 0.40 . 1 . . . . 560 ILE C . 15469 1 630 . 1 1 53 53 GLN N N 15 116.211 0.40 . 1 . . . . 561 GLN N . 15469 1 631 . 1 1 53 53 GLN H H 1 8.420 0.02 . 1 . . . . 561 GLN H . 15469 1 632 . 1 1 53 53 GLN CA C 13 58.530 0.40 . 1 . . . . 561 GLN CA . 15469 1 633 . 1 1 53 53 GLN HA H 1 3.809 0.02 . 1 . . . . 561 GLN HA . 15469 1 634 . 1 1 53 53 GLN CB C 13 29.171 0.40 . 1 . . . . 561 GLN CB . 15469 1 635 . 1 1 53 53 GLN HB2 H 1 2.020 0.02 . 2 . . . . 561 GLN HB2 . 15469 1 636 . 1 1 53 53 GLN HB3 H 1 1.990 0.02 . 2 . . . . 561 GLN HB3 . 15469 1 637 . 1 1 53 53 GLN CG C 13 35.734 0.40 . 1 . . . . 561 GLN CG . 15469 1 638 . 1 1 53 53 GLN HG2 H 1 2.329 0.02 . 2 . . . . 561 GLN HG2 . 15469 1 639 . 1 1 53 53 GLN HG3 H 1 2.037 0.02 . 2 . . . . 561 GLN HG3 . 15469 1 640 . 1 1 53 53 GLN NE2 N 15 112.371 0.40 . 1 . . . . 561 GLN NE2 . 15469 1 641 . 1 1 53 53 GLN HE21 H 1 7.670 0.02 . 2 . . . . 561 GLN HE21 . 15469 1 642 . 1 1 53 53 GLN HE22 H 1 6.694 0.02 . 2 . . . . 561 GLN HE22 . 15469 1 643 . 1 1 53 53 GLN C C 13 177.123 0.40 . 1 . . . . 561 GLN C . 15469 1 644 . 1 1 54 54 ARG N N 15 116.405 0.40 . 1 . . . . 562 ARG+ N . 15469 1 645 . 1 1 54 54 ARG H H 1 7.333 0.02 . 1 . . . . 562 ARG+ H . 15469 1 646 . 1 1 54 54 ARG CA C 13 57.598 0.40 . 1 . . . . 562 ARG+ CA . 15469 1 647 . 1 1 54 54 ARG HA H 1 4.087 0.02 . 1 . . . . 562 ARG+ HA . 15469 1 648 . 1 1 54 54 ARG CB C 13 30.433 0.40 . 1 . . . . 562 ARG+ CB . 15469 1 649 . 1 1 54 54 ARG HB2 H 1 1.825 0.02 . 2 . . . . 562 ARG+ QB . 15469 1 650 . 1 1 54 54 ARG CG C 13 27.553 0.40 . 1 . . . . 562 ARG+ CG . 15469 1 651 . 1 1 54 54 ARG HG2 H 1 1.543 0.02 . 2 . . . . 562 ARG+ QG . 15469 1 652 . 1 1 54 54 ARG CD C 13 42.935 0.40 . 1 . . . . 562 ARG+ CD . 15469 1 653 . 1 1 54 54 ARG HD2 H 1 3.126 0.02 . 2 . . . . 562 ARG+ QD . 15469 1 654 . 1 1 54 54 ARG C C 13 177.183 0.40 . 1 . . . . 562 ARG+ C . 15469 1 655 . 1 1 55 55 LYS N N 15 118.590 0.40 . 1 . . . . 563 LYS+ N . 15469 1 656 . 1 1 55 55 LYS H H 1 7.792 0.02 . 1 . . . . 563 LYS+ H . 15469 1 657 . 1 1 55 55 LYS CA C 13 57.596 0.40 . 1 . . . . 563 LYS+ CA . 15469 1 658 . 1 1 55 55 LYS HA H 1 3.921 0.02 . 1 . . . . 563 LYS+ HA . 15469 1 659 . 1 1 55 55 LYS CB C 13 33.216 0.40 . 1 . . . . 563 LYS+ CB . 15469 1 660 . 1 1 55 55 LYS HB2 H 1 1.542 0.02 . 2 . . . . 563 LYS+ HB2 . 15469 1 661 . 1 1 55 55 LYS HB3 H 1 1.335 0.02 . 2 . . . . 563 LYS+ HB3 . 15469 1 662 . 1 1 55 55 LYS CG C 13 24.777 0.40 . 1 . . . . 563 LYS+ CG . 15469 1 663 . 1 1 55 55 LYS HG2 H 1 0.969 0.02 . 2 . . . . 563 LYS+ HG2 . 15469 1 664 . 1 1 55 55 LYS HG3 H 1 0.628 0.02 . 2 . . . . 563 LYS+ HG3 . 15469 1 665 . 1 1 55 55 LYS CD C 13 30.338 0.40 . 1 . . . . 563 LYS+ CD . 15469 1 666 . 1 1 55 55 LYS HD2 H 1 1.825 0.02 . 2 . . . . 563 LYS+ QD . 15469 1 667 . 1 1 55 55 LYS CE C 13 41.716 0.40 . 1 . . . . 563 LYS+ CE . 15469 1 668 . 1 1 55 55 LYS HE2 H 1 2.844 0.02 . 2 . . . . 563 LYS+ QE . 15469 1 669 . 1 1 55 55 LYS C C 13 176.732 0.40 . 1 . . . . 563 LYS+ C . 15469 1 670 . 1 1 56 56 TYR N N 15 121.095 0.40 . 1 . . . . 564 TYR N . 15469 1 671 . 1 1 56 56 TYR H H 1 8.202 0.02 . 1 . . . . 564 TYR H . 15469 1 672 . 1 1 56 56 TYR CA C 13 55.417 0.40 . 1 . . . . 564 TYR CA . 15469 1 673 . 1 1 56 56 TYR HA H 1 4.794 0.02 . 1 . . . . 564 TYR HA . 15469 1 674 . 1 1 56 56 TYR CB C 13 35.965 0.40 . 1 . . . . 564 TYR CB . 15469 1 675 . 1 1 56 56 TYR HB2 H 1 3.112 0.02 . 2 . . . . 564 TYR HB2 . 15469 1 676 . 1 1 56 56 TYR HB3 H 1 3.036 0.02 . 2 . . . . 564 TYR HB3 . 15469 1 677 . 1 1 56 56 TYR HD1 H 1 7.440 0.02 . 3 . . . . 564 TYR QD . 15469 1 678 . 1 1 56 56 TYR HE1 H 1 6.786 0.02 . 3 . . . . 564 TYR QE . 15469 1 679 . 1 1 56 56 TYR CD1 C 13 133.800 0.40 . 3 . . . . 564 TYR CD1 . 15469 1 680 . 1 1 56 56 TYR CE1 C 13 117.224 0.40 . 3 . . . . 564 TYR CE1 . 15469 1 681 . 1 1 56 56 TYR C C 13 174.343 0.40 . 1 . . . . 564 TYR C . 15469 1 682 . 1 1 57 57 LYS N N 15 119.334 0.40 . 1 . . . . 565 LYS+ N . 15469 1 683 . 1 1 57 57 LYS H H 1 7.218 0.02 . 1 . . . . 565 LYS+ H . 15469 1 684 . 1 1 57 57 LYS CA C 13 57.933 0.40 . 1 . . . . 565 LYS+ CA . 15469 1 685 . 1 1 57 57 LYS HA H 1 4.081 0.02 . 1 . . . . 565 LYS+ HA . 15469 1 686 . 1 1 57 57 LYS CB C 13 31.996 0.40 . 1 . . . . 565 LYS+ CB . 15469 1 687 . 1 1 57 57 LYS HB2 H 1 1.714 0.02 . 2 . . . . 565 LYS+ HB2 . 15469 1 688 . 1 1 57 57 LYS HB3 H 1 1.753 0.02 . 2 . . . . 565 LYS+ HB3 . 15469 1 689 . 1 1 57 57 LYS CG C 13 24.495 0.40 . 1 . . . . 565 LYS+ CG . 15469 1 690 . 1 1 57 57 LYS HG2 H 1 1.452 0.02 . 2 . . . . 565 LYS+ HG2 . 15469 1 691 . 1 1 57 57 LYS HG3 H 1 1.367 0.02 . 2 . . . . 565 LYS+ HG3 . 15469 1 692 . 1 1 57 57 LYS CD C 13 29.362 0.40 . 1 . . . . 565 LYS+ CD . 15469 1 693 . 1 1 57 57 LYS HD2 H 1 1.766 0.02 . 2 . . . . 565 LYS+ QD . 15469 1 694 . 1 1 57 57 LYS CE C 13 41.965 0.40 . 1 . . . . 565 LYS+ CE . 15469 1 695 . 1 1 57 57 LYS HE2 H 1 2.974 0.02 . 2 . . . . 565 LYS+ QE . 15469 1 696 . 1 1 57 57 LYS C C 13 179.079 0.40 . 1 . . . . 565 LYS+ C . 15469 1 697 . 1 1 58 58 GLY N N 15 114.884 0.40 . 1 . . . . 566 GLY N . 15469 1 698 . 1 1 58 58 GLY H H 1 9.154 0.02 . 1 . . . . 566 GLY H . 15469 1 699 . 1 1 58 58 GLY CA C 13 44.790 0.40 . 1 . . . . 566 GLY CA . 15469 1 700 . 1 1 58 58 GLY HA2 H 1 3.604 0.02 . 2 . . . . 566 GLY HA2 . 15469 1 701 . 1 1 58 58 GLY HA3 H 1 4.252 0.02 . 2 . . . . 566 GLY HA3 . 15469 1 702 . 1 1 58 58 GLY C C 13 173.987 0.40 . 1 . . . . 566 GLY C . 15469 1 703 . 1 1 59 59 ILE N N 15 122.415 0.40 . 1 . . . . 567 ILE N . 15469 1 704 . 1 1 59 59 ILE H H 1 7.601 0.02 . 1 . . . . 567 ILE H . 15469 1 705 . 1 1 59 59 ILE CA C 13 61.665 0.40 . 1 . . . . 567 ILE CA . 15469 1 706 . 1 1 59 59 ILE HA H 1 2.521 0.02 . 1 . . . . 567 ILE HA . 15469 1 707 . 1 1 59 59 ILE CB C 13 38.236 0.40 . 1 . . . . 567 ILE CB . 15469 1 708 . 1 1 59 59 ILE HB H 1 1.815 0.02 . 1 . . . . 567 ILE HB . 15469 1 709 . 1 1 59 59 ILE HG21 H 1 0.900 0.02 . 1 . . . . 567 ILE QG2 . 15469 1 710 . 1 1 59 59 ILE HG22 H 1 0.900 0.02 . 1 . . . . 567 ILE QG2 . 15469 1 711 . 1 1 59 59 ILE HG23 H 1 0.900 0.02 . 1 . . . . 567 ILE QG2 . 15469 1 712 . 1 1 59 59 ILE CG2 C 13 15.110 0.40 . 1 . . . . 567 ILE CG2 . 15469 1 713 . 1 1 59 59 ILE CG1 C 13 28.864 0.40 . 1 . . . . 567 ILE CG1 . 15469 1 714 . 1 1 59 59 ILE HG12 H 1 1.091 0.02 . 2 . . . . 567 ILE HG12 . 15469 1 715 . 1 1 59 59 ILE HG13 H 1 0.680 0.02 . 2 . . . . 567 ILE HG13 . 15469 1 716 . 1 1 59 59 ILE HD11 H 1 0.744 0.02 . 1 . . . . 567 ILE QD1 . 15469 1 717 . 1 1 59 59 ILE HD12 H 1 0.744 0.02 . 1 . . . . 567 ILE QD1 . 15469 1 718 . 1 1 59 59 ILE HD13 H 1 0.744 0.02 . 1 . . . . 567 ILE QD1 . 15469 1 719 . 1 1 59 59 ILE CD1 C 13 15.109 0.40 . 1 . . . . 567 ILE CD1 . 15469 1 720 . 1 1 59 59 ILE C C 13 172.890 0.40 . 1 . . . . 567 ILE C . 15469 1 721 . 1 1 60 60 LYS N N 15 128.600 0.40 . 1 . . . . 568 LYS+ N . 15469 1 722 . 1 1 60 60 LYS H H 1 7.736 0.02 . 1 . . . . 568 LYS+ H . 15469 1 723 . 1 1 60 60 LYS CA C 13 53.839 0.40 . 1 . . . . 568 LYS+ CA . 15469 1 724 . 1 1 60 60 LYS HA H 1 4.300 0.02 . 1 . . . . 568 LYS+ HA . 15469 1 725 . 1 1 60 60 LYS CB C 13 31.669 0.40 . 1 . . . . 568 LYS+ CB . 15469 1 726 . 1 1 60 60 LYS HB2 H 1 1.593 0.02 . 2 . . . . 568 LYS+ HB2 . 15469 1 727 . 1 1 60 60 LYS HB3 H 1 1.508 0.02 . 2 . . . . 568 LYS+ HB3 . 15469 1 728 . 1 1 60 60 LYS CG C 13 24.797 0.40 . 1 . . . . 568 LYS+ CG . 15469 1 729 . 1 1 60 60 LYS HG2 H 1 1.063 0.02 . 2 . . . . 568 LYS+ QG . 15469 1 730 . 1 1 60 60 LYS CD C 13 28.560 0.40 . 1 . . . . 568 LYS+ CD . 15469 1 731 . 1 1 60 60 LYS HD2 H 1 1.524 0.02 . 2 . . . . 568 LYS+ QD . 15469 1 732 . 1 1 60 60 LYS CE C 13 41.981 0.40 . 1 . . . . 568 LYS+ CE . 15469 1 733 . 1 1 60 60 LYS HE2 H 1 2.860 0.02 . 2 . . . . 568 LYS+ QE . 15469 1 734 . 1 1 60 60 LYS C C 13 174.769 0.40 . 1 . . . . 568 LYS+ C . 15469 1 735 . 1 1 61 61 ILE N N 15 124.348 0.40 . 1 . . . . 569 ILE N . 15469 1 736 . 1 1 61 61 ILE H H 1 8.073 0.02 . 1 . . . . 569 ILE H . 15469 1 737 . 1 1 61 61 ILE CA C 13 61.366 0.40 . 1 . . . . 569 ILE CA . 15469 1 738 . 1 1 61 61 ILE HA H 1 3.164 0.02 . 1 . . . . 569 ILE HA . 15469 1 739 . 1 1 61 61 ILE CB C 13 36.374 0.40 . 1 . . . . 569 ILE CB . 15469 1 740 . 1 1 61 61 ILE HB H 1 1.307 0.02 . 1 . . . . 569 ILE HB . 15469 1 741 . 1 1 61 61 ILE HG21 H 1 -0.223 0.02 . 1 . . . . 569 ILE QG2 . 15469 1 742 . 1 1 61 61 ILE HG22 H 1 -0.223 0.02 . 1 . . . . 569 ILE QG2 . 15469 1 743 . 1 1 61 61 ILE HG23 H 1 -0.223 0.02 . 1 . . . . 569 ILE QG2 . 15469 1 744 . 1 1 61 61 ILE CG2 C 13 16.661 0.40 . 1 . . . . 569 ILE CG2 . 15469 1 745 . 1 1 61 61 ILE CG1 C 13 26.677 0.40 . 1 . . . . 569 ILE CG1 . 15469 1 746 . 1 1 61 61 ILE HG12 H 1 1.004 0.02 . 2 . . . . 569 ILE HG12 . 15469 1 747 . 1 1 61 61 ILE HG13 H 1 0.622 0.02 . 2 . . . . 569 ILE HG13 . 15469 1 748 . 1 1 61 61 ILE HD11 H 1 0.240 0.02 . 1 . . . . 569 ILE QD1 . 15469 1 749 . 1 1 61 61 ILE HD12 H 1 0.240 0.02 . 1 . . . . 569 ILE QD1 . 15469 1 750 . 1 1 61 61 ILE HD13 H 1 0.240 0.02 . 1 . . . . 569 ILE QD1 . 15469 1 751 . 1 1 61 61 ILE CD1 C 13 12.558 0.40 . 1 . . . . 569 ILE CD1 . 15469 1 752 . 1 1 61 61 ILE C C 13 174.954 0.40 . 1 . . . . 569 ILE C . 15469 1 753 . 1 1 62 62 GLN N N 15 122.666 0.40 . 1 . . . . 570 GLN N . 15469 1 754 . 1 1 62 62 GLN H H 1 6.700 0.02 . 1 . . . . 570 GLN H . 15469 1 755 . 1 1 62 62 GLN CA C 13 52.913 0.40 . 1 . . . . 570 GLN CA . 15469 1 756 . 1 1 62 62 GLN HA H 1 4.199 0.02 . 1 . . . . 570 GLN HA . 15469 1 757 . 1 1 62 62 GLN CB C 13 31.048 0.40 . 1 . . . . 570 GLN CB . 15469 1 758 . 1 1 62 62 GLN HB2 H 1 2.026 0.02 . 2 . . . . 570 GLN HB2 . 15469 1 759 . 1 1 62 62 GLN HB3 H 1 1.765 0.02 . 2 . . . . 570 GLN HB3 . 15469 1 760 . 1 1 62 62 GLN CG C 13 31.698 0.40 . 1 . . . . 570 GLN CG . 15469 1 761 . 1 1 62 62 GLN HG2 H 1 2.010 0.02 . 2 . . . . 570 GLN HG2 . 15469 1 762 . 1 1 62 62 GLN HG3 H 1 1.955 0.02 . 2 . . . . 570 GLN HG3 . 15469 1 763 . 1 1 62 62 GLN NE2 N 15 110.493 0.40 . 1 . . . . 570 GLN NE2 . 15469 1 764 . 1 1 62 62 GLN HE21 H 1 6.905 0.02 . 2 . . . . 570 GLN HE21 . 15469 1 765 . 1 1 62 62 GLN HE22 H 1 6.700 0.02 . 2 . . . . 570 GLN HE22 . 15469 1 766 . 1 1 62 62 GLN C C 13 171.954 0.40 . 1 . . . . 570 GLN C . 15469 1 767 . 1 1 63 63 GLU N N 15 116.508 0.40 . 1 . . . . 571 GLU- N . 15469 1 768 . 1 1 63 63 GLU H H 1 8.222 0.02 . 1 . . . . 571 GLU- H . 15469 1 769 . 1 1 63 63 GLU CA C 13 57.601 0.40 . 1 . . . . 571 GLU- CA . 15469 1 770 . 1 1 63 63 GLU HA H 1 3.727 0.02 . 1 . . . . 571 GLU- HA . 15469 1 771 . 1 1 63 63 GLU CB C 13 30.747 0.40 . 1 . . . . 571 GLU- CB . 15469 1 772 . 1 1 63 63 GLU HB2 H 1 1.978 0.02 . 2 . . . . 571 GLU- HB2 . 15469 1 773 . 1 1 63 63 GLU HB3 H 1 1.740 0.02 . 2 . . . . 571 GLU- HB3 . 15469 1 774 . 1 1 63 63 GLU CG C 13 37.936 0.40 . 1 . . . . 571 GLU- CG . 15469 1 775 . 1 1 63 63 GLU HG2 H 1 2.131 0.02 . 2 . . . . 571 GLU- QG . 15469 1 776 . 1 1 63 63 GLU C C 13 177.383 0.40 . 1 . . . . 571 GLU- C . 15469 1 777 . 1 1 64 64 GLY N N 15 111.395 0.40 . 1 . . . . 572 GLY N . 15469 1 778 . 1 1 64 64 GLY H H 1 8.960 0.02 . 1 . . . . 572 GLY H . 15469 1 779 . 1 1 64 64 GLY CA C 13 43.247 0.40 . 1 . . . . 572 GLY CA . 15469 1 780 . 1 1 64 64 GLY HA2 H 1 2.804 0.02 . 2 . . . . 572 GLY HA2 . 15469 1 781 . 1 1 64 64 GLY HA3 H 1 4.198 0.02 . 2 . . . . 572 GLY HA3 . 15469 1 782 . 1 1 64 64 GLY C C 13 173.131 0.40 . 1 . . . . 572 GLY C . 15469 1 783 . 1 1 65 65 ILE N N 15 120.455 0.40 . 1 . . . . 573 ILE N . 15469 1 784 . 1 1 65 65 ILE H H 1 8.402 0.02 . 1 . . . . 573 ILE H . 15469 1 785 . 1 1 65 65 ILE CA C 13 61.039 0.40 . 1 . . . . 573 ILE CA . 15469 1 786 . 1 1 65 65 ILE HA H 1 4.910 0.02 . 1 . . . . 573 ILE HA . 15469 1 787 . 1 1 65 65 ILE CB C 13 37.920 0.40 . 1 . . . . 573 ILE CB . 15469 1 788 . 1 1 65 65 ILE HB H 1 1.766 0.02 . 1 . . . . 573 ILE HB . 15469 1 789 . 1 1 65 65 ILE HG21 H 1 0.765 0.02 . 1 . . . . 573 ILE QG2 . 15469 1 790 . 1 1 65 65 ILE HG22 H 1 0.765 0.02 . 1 . . . . 573 ILE QG2 . 15469 1 791 . 1 1 65 65 ILE HG23 H 1 0.765 0.02 . 1 . . . . 573 ILE QG2 . 15469 1 792 . 1 1 65 65 ILE CG2 C 13 16.000 0.40 . 1 . . . . 573 ILE CG2 . 15469 1 793 . 1 1 65 65 ILE CG1 C 13 28.540 0.40 . 1 . . . . 573 ILE CG1 . 15469 1 794 . 1 1 65 65 ILE HG12 H 1 1.837 0.02 . 2 . . . . 573 ILE HG12 . 15469 1 795 . 1 1 65 65 ILE HG13 H 1 1.174 0.02 . 2 . . . . 573 ILE HG13 . 15469 1 796 . 1 1 65 65 ILE HD11 H 1 0.935 0.02 . 1 . . . . 573 ILE QD1 . 15469 1 797 . 1 1 65 65 ILE HD12 H 1 0.935 0.02 . 1 . . . . 573 ILE QD1 . 15469 1 798 . 1 1 65 65 ILE HD13 H 1 0.935 0.02 . 1 . . . . 573 ILE QD1 . 15469 1 799 . 1 1 65 65 ILE CD1 C 13 13.230 0.40 . 1 . . . . 573 ILE CD1 . 15469 1 800 . 1 1 65 65 ILE C C 13 177.952 0.40 . 1 . . . . 573 ILE C . 15469 1 801 . 1 1 66 66 VAL N N 15 131.435 0.40 . 1 . . . . 574 VAL N . 15469 1 802 . 1 1 66 66 VAL H H 1 8.906 0.02 . 1 . . . . 574 VAL H . 15469 1 803 . 1 1 66 66 VAL CA C 13 62.183 0.40 . 1 . . . . 574 VAL CA . 15469 1 804 . 1 1 66 66 VAL HA H 1 4.071 0.02 . 1 . . . . 574 VAL HA . 15469 1 805 . 1 1 66 66 VAL CB C 13 35.729 0.40 . 1 . . . . 574 VAL CB . 15469 1 806 . 1 1 66 66 VAL HB H 1 2.216 0.02 . 1 . . . . 574 VAL HB . 15469 1 807 . 1 1 66 66 VAL HG11 H 1 1.172 0.02 . 2 . . . . 574 VAL QG1 . 15469 1 808 . 1 1 66 66 VAL HG12 H 1 1.172 0.02 . 2 . . . . 574 VAL QG1 . 15469 1 809 . 1 1 66 66 VAL HG13 H 1 1.172 0.02 . 2 . . . . 574 VAL QG1 . 15469 1 810 . 1 1 66 66 VAL HG21 H 1 1.058 0.02 . 2 . . . . 574 VAL QG2 . 15469 1 811 . 1 1 66 66 VAL HG22 H 1 1.058 0.02 . 2 . . . . 574 VAL QG2 . 15469 1 812 . 1 1 66 66 VAL HG23 H 1 1.058 0.02 . 2 . . . . 574 VAL QG2 . 15469 1 813 . 1 1 66 66 VAL CG1 C 13 22.619 0.40 . 2 . . . . 574 VAL CG1 . 15469 1 814 . 1 1 66 66 VAL CG2 C 13 20.730 0.40 . 2 . . . . 574 VAL CG2 . 15469 1 815 . 1 1 66 66 VAL C C 13 172.888 0.40 . 1 . . . . 574 VAL C . 15469 1 816 . 1 1 67 67 ASP N N 15 126.415 0.40 . 1 . . . . 575 ASP- N . 15469 1 817 . 1 1 67 67 ASP H H 1 8.742 0.02 . 1 . . . . 575 ASP- H . 15469 1 818 . 1 1 67 67 ASP CA C 13 51.960 0.40 . 1 . . . . 575 ASP- CA . 15469 1 819 . 1 1 67 67 ASP HA H 1 4.947 0.02 . 1 . . . . 575 ASP- HA . 15469 1 820 . 1 1 67 67 ASP CB C 13 40.420 0.40 . 1 . . . . 575 ASP- CB . 15469 1 821 . 1 1 67 67 ASP HB2 H 1 2.997 0.02 . 2 . . . . 575 ASP- HB2 . 15469 1 822 . 1 1 67 67 ASP HB3 H 1 2.117 0.02 . 2 . . . . 575 ASP- HB3 . 15469 1 823 . 1 1 67 67 ASP C C 13 175.214 0.40 . 1 . . . . 575 ASP- C . 15469 1 824 . 1 1 68 68 TYR N N 15 131.038 0.40 . 1 . . . . 576 TYR N . 15469 1 825 . 1 1 68 68 TYR H H 1 8.635 0.02 . 1 . . . . 576 TYR H . 15469 1 826 . 1 1 68 68 TYR CA C 13 57.455 0.40 . 1 . . . . 576 TYR CA . 15469 1 827 . 1 1 68 68 TYR HA H 1 4.401 0.02 . 1 . . . . 576 TYR HA . 15469 1 828 . 1 1 68 68 TYR CB C 13 38.541 0.40 . 1 . . . . 576 TYR CB . 15469 1 829 . 1 1 68 68 TYR HB2 H 1 3.223 0.02 . 2 . . . . 576 TYR HB2 . 15469 1 830 . 1 1 68 68 TYR HB3 H 1 2.593 0.02 . 2 . . . . 576 TYR HB3 . 15469 1 831 . 1 1 68 68 TYR HD1 H 1 7.195 0.02 . 3 . . . . 576 TYR QD . 15469 1 832 . 1 1 68 68 TYR HE1 H 1 6.625 0.02 . 3 . . . . 576 TYR QE . 15469 1 833 . 1 1 68 68 TYR CD1 C 13 133.299 0.40 . 3 . . . . 576 TYR CD1 . 15469 1 834 . 1 1 68 68 TYR CE1 C 13 117.767 0.40 . 3 . . . . 576 TYR CE1 . 15469 1 835 . 1 1 68 68 TYR C C 13 174.096 0.40 . 1 . . . . 576 TYR C . 15469 1 836 . 1 1 69 69 GLY N N 15 115.627 0.40 . 1 . . . . 577 GLY N . 15469 1 837 . 1 1 69 69 GLY H H 1 8.392 0.02 . 1 . . . . 577 GLY H . 15469 1 838 . 1 1 69 69 GLY CA C 13 46.344 0.40 . 1 . . . . 577 GLY CA . 15469 1 839 . 1 1 69 69 GLY HA2 H 1 3.051 0.02 . 2 . . . . 577 GLY HA2 . 15469 1 840 . 1 1 69 69 GLY HA3 H 1 4.302 0.02 . 2 . . . . 577 GLY HA3 . 15469 1 841 . 1 1 69 69 GLY C C 13 175.468 0.40 . 1 . . . . 577 GLY C . 15469 1 842 . 1 1 70 70 VAL N N 15 124.891 0.40 . 1 . . . . 578 VAL N . 15469 1 843 . 1 1 70 70 VAL H H 1 7.140 0.02 . 1 . . . . 578 VAL H . 15469 1 844 . 1 1 70 70 VAL CA C 13 60.102 0.40 . 1 . . . . 578 VAL CA . 15469 1 845 . 1 1 70 70 VAL HA H 1 3.401 0.02 . 1 . . . . 578 VAL HA . 15469 1 846 . 1 1 70 70 VAL CB C 13 34.809 0.40 . 1 . . . . 578 VAL CB . 15469 1 847 . 1 1 70 70 VAL HB H 1 0.596 0.02 . 1 . . . . 578 VAL HB . 15469 1 848 . 1 1 70 70 VAL HG11 H 1 0.523 0.02 . 2 . . . . 578 VAL QG1 . 15469 1 849 . 1 1 70 70 VAL HG12 H 1 0.523 0.02 . 2 . . . . 578 VAL QG1 . 15469 1 850 . 1 1 70 70 VAL HG13 H 1 0.523 0.02 . 2 . . . . 578 VAL QG1 . 15469 1 851 . 1 1 70 70 VAL HG21 H 1 -0.194 0.02 . 2 . . . . 578 VAL QG2 . 15469 1 852 . 1 1 70 70 VAL HG22 H 1 -0.194 0.02 . 2 . . . . 578 VAL QG2 . 15469 1 853 . 1 1 70 70 VAL HG23 H 1 -0.194 0.02 . 2 . . . . 578 VAL QG2 . 15469 1 854 . 1 1 70 70 VAL CG1 C 13 24.153 0.40 . 2 . . . . 578 VAL CG1 . 15469 1 855 . 1 1 70 70 VAL CG2 C 13 21.387 0.40 . 2 . . . . 578 VAL CG2 . 15469 1 856 . 1 1 71 71 ARG N N 15 124.729 0.40 . 1 . . . . 579 ARG+ N . 15469 1 857 . 1 1 71 71 ARG H H 1 8.117 0.02 . 1 . . . . 579 ARG+ H . 15469 1 858 . 1 1 71 71 ARG CA C 13 55.058 0.40 . 1 . . . . 579 ARG+ CA . 15469 1 859 . 1 1 71 71 ARG HA H 1 4.233 0.02 . 1 . . . . 579 ARG+ HA . 15469 1 860 . 1 1 71 71 ARG CB C 13 28.896 0.40 . 1 . . . . 579 ARG+ CB . 15469 1 861 . 1 1 71 71 ARG HB2 H 1 1.377 0.02 . 2 . . . . 579 ARG+ HB2 . 15469 1 862 . 1 1 71 71 ARG HB3 H 1 1.265 0.02 . 2 . . . . 579 ARG+ HB3 . 15469 1 863 . 1 1 71 71 ARG CG C 13 27.929 0.40 . 1 . . . . 579 ARG+ CG . 15469 1 864 . 1 1 71 71 ARG HG2 H 1 1.097 0.02 . 2 . . . . 579 ARG+ HG2 . 15469 1 865 . 1 1 71 71 ARG HG3 H 1 1.271 0.02 . 2 . . . . 579 ARG+ HG3 . 15469 1 866 . 1 1 71 71 ARG CD C 13 42.947 0.40 . 1 . . . . 579 ARG+ CD . 15469 1 867 . 1 1 71 71 ARG HD2 H 1 3.052 0.02 . 2 . . . . 579 ARG+ HD2 . 15469 1 868 . 1 1 71 71 ARG HD3 H 1 2.826 0.02 . 2 . . . . 579 ARG+ HD3 . 15469 1 869 . 1 1 71 71 ARG C C 13 172.720 0.40 . 1 . . . . 579 ARG+ C . 15469 1 870 . 1 1 72 72 PHE N N 15 124.070 0.40 . 1 . . . . 580 PHE N . 15469 1 871 . 1 1 72 72 PHE H H 1 8.497 0.02 . 1 . . . . 580 PHE H . 15469 1 872 . 1 1 72 72 PHE CA C 13 57.580 0.40 . 1 . . . . 580 PHE CA . 15469 1 873 . 1 1 72 72 PHE HA H 1 4.630 0.02 . 1 . . . . 580 PHE HA . 15469 1 874 . 1 1 72 72 PHE CB C 13 41.982 0.40 . 1 . . . . 580 PHE CB . 15469 1 875 . 1 1 72 72 PHE HB2 H 1 2.340 0.02 . 2 . . . . 580 PHE HB2 . 15469 1 876 . 1 1 72 72 PHE HB3 H 1 1.460 0.02 . 2 . . . . 580 PHE HB3 . 15469 1 877 . 1 1 72 72 PHE HD1 H 1 7.018 0.02 . 3 . . . . 580 PHE QD . 15469 1 878 . 1 1 72 72 PHE HE1 H 1 6.944 0.02 . 3 . . . . 580 PHE QE . 15469 1 879 . 1 1 72 72 PHE CD1 C 13 132.571 0.40 . 3 . . . . 580 PHE CD1 . 15469 1 880 . 1 1 72 72 PHE CE1 C 13 130.970 0.40 . 3 . . . . 580 PHE CE1 . 15469 1 881 . 1 1 72 72 PHE CZ C 13 128.800 0.40 . 1 . . . . 580 PHE CZ . 15469 1 882 . 1 1 72 72 PHE HZ H 1 6.730 0.02 . 1 . . . . 580 PHE HZ . 15469 1 883 . 1 1 72 72 PHE C C 13 175.552 0.40 . 1 . . . . 580 PHE C . 15469 1 884 . 1 1 73 73 PHE N N 15 119.700 0.40 . 1 . . . . 581 PHE N . 15469 1 885 . 1 1 73 73 PHE H H 1 7.683 0.02 . 1 . . . . 581 PHE H . 15469 1 886 . 1 1 73 73 PHE CA C 13 56.659 0.40 . 1 . . . . 581 PHE CA . 15469 1 887 . 1 1 73 73 PHE HA H 1 4.689 0.02 . 1 . . . . 581 PHE HA . 15469 1 888 . 1 1 73 73 PHE CB C 13 41.021 0.40 . 1 . . . . 581 PHE CB . 15469 1 889 . 1 1 73 73 PHE HB2 H 1 2.668 0.02 . 2 . . . . 581 PHE HB2 . 15469 1 890 . 1 1 73 73 PHE HB3 H 1 2.476 0.02 . 2 . . . . 581 PHE HB3 . 15469 1 891 . 1 1 73 73 PHE HD1 H 1 7.005 0.02 . 3 . . . . 581 PHE QD . 15469 1 892 . 1 1 73 73 PHE HE1 H 1 7.232 0.02 . 3 . . . . 581 PHE QE . 15469 1 893 . 1 1 73 73 PHE CD1 C 13 131.364 0.40 . 3 . . . . 581 PHE CD1 . 15469 1 894 . 1 1 73 73 PHE CE1 C 13 131.039 0.40 . 3 . . . . 581 PHE CE1 . 15469 1 895 . 1 1 73 73 PHE C C 13 174.602 0.40 . 1 . . . . 581 PHE C . 15469 1 896 . 1 1 74 74 PHE N N 15 127.077 0.40 . 1 . . . . 582 PHE N . 15469 1 897 . 1 1 74 74 PHE H H 1 8.907 0.02 . 1 . . . . 582 PHE H . 15469 1 898 . 1 1 74 74 PHE CA C 13 57.301 0.40 . 1 . . . . 582 PHE CA . 15469 1 899 . 1 1 74 74 PHE HA H 1 5.559 0.02 . 1 . . . . 582 PHE HA . 15469 1 900 . 1 1 74 74 PHE CB C 13 39.471 0.40 . 1 . . . . 582 PHE CB . 15469 1 901 . 1 1 74 74 PHE HB2 H 1 3.484 0.02 . 2 . . . . 582 PHE HB2 . 15469 1 902 . 1 1 74 74 PHE HB3 H 1 2.877 0.02 . 2 . . . . 582 PHE HB3 . 15469 1 903 . 1 1 74 74 PHE HD1 H 1 7.335 0.02 . 3 . . . . 582 PHE QD . 15469 1 904 . 1 1 74 74 PHE HE1 H 1 6.695 0.02 . 3 . . . . 582 PHE QE . 15469 1 905 . 1 1 74 74 PHE CD1 C 13 131.829 0.40 . 3 . . . . 582 PHE CD1 . 15469 1 906 . 1 1 74 74 PHE CE1 C 13 130.170 0.40 . 3 . . . . 582 PHE CE1 . 15469 1 907 . 1 1 74 74 PHE CZ C 13 128.868 0.40 . 1 . . . . 582 PHE CZ . 15469 1 908 . 1 1 74 74 PHE HZ H 1 5.980 0.02 . 1 . . . . 582 PHE HZ . 15469 1 909 . 1 1 74 74 PHE C C 13 176.850 0.40 . 1 . . . . 582 PHE C . 15469 1 910 . 1 1 75 75 TYR N N 15 119.105 0.40 . 1 . . . . 583 TYR N . 15469 1 911 . 1 1 75 75 TYR H H 1 8.442 0.02 . 1 . . . . 583 TYR H . 15469 1 912 . 1 1 75 75 TYR CA C 13 54.173 0.40 . 1 . . . . 583 TYR CA . 15469 1 913 . 1 1 75 75 TYR HA H 1 5.297 0.02 . 1 . . . . 583 TYR HA . 15469 1 914 . 1 1 75 75 TYR CB C 13 41.354 0.40 . 1 . . . . 583 TYR CB . 15469 1 915 . 1 1 75 75 TYR HB2 H 1 3.237 0.02 . 2 . . . . 583 TYR HB2 . 15469 1 916 . 1 1 75 75 TYR HB3 H 1 2.804 0.02 . 2 . . . . 583 TYR HB3 . 15469 1 917 . 1 1 75 75 TYR HD1 H 1 7.285 0.02 . 3 . . . . 583 TYR QD . 15469 1 918 . 1 1 75 75 TYR HE1 H 1 6.460 0.02 . 3 . . . . 583 TYR QE . 15469 1 919 . 1 1 75 75 TYR CD1 C 13 135.020 0.40 . 3 . . . . 583 TYR CD1 . 15469 1 920 . 1 1 75 75 TYR CE1 C 13 116.200 0.40 . 3 . . . . 583 TYR CE1 . 15469 1 921 . 1 1 75 75 TYR C C 13 173.923 0.40 . 1 . . . . 583 TYR C . 15469 1 922 . 1 1 76 76 THR N N 15 113.339 0.40 . 1 . . . . 584 THR N . 15469 1 923 . 1 1 76 76 THR H H 1 9.451 0.02 . 1 . . . . 584 THR H . 15469 1 924 . 1 1 76 76 THR CA C 13 59.781 0.40 . 1 . . . . 584 THR CA . 15469 1 925 . 1 1 76 76 THR HA H 1 4.680 0.02 . 1 . . . . 584 THR HA . 15469 1 926 . 1 1 76 76 THR CB C 13 71.031 0.40 . 1 . . . . 584 THR CB . 15469 1 927 . 1 1 76 76 THR HB H 1 4.600 0.02 . 1 . . . . 584 THR HB . 15469 1 928 . 1 1 76 76 THR HG21 H 1 1.187 0.02 . 1 . . . . 584 THR QG2 . 15469 1 929 . 1 1 76 76 THR HG22 H 1 1.187 0.02 . 1 . . . . 584 THR QG2 . 15469 1 930 . 1 1 76 76 THR HG23 H 1 1.187 0.02 . 1 . . . . 584 THR QG2 . 15469 1 931 . 1 1 76 76 THR CG2 C 13 21.371 0.40 . 1 . . . . 584 THR CG2 . 15469 1 932 . 1 1 76 76 THR C C 13 174.864 0.40 . 1 . . . . 584 THR C . 15469 1 933 . 1 1 77 77 SER N N 15 114.071 0.40 . 1 . . . . 585 SER N . 15469 1 934 . 1 1 77 77 SER H H 1 9.094 0.02 . 1 . . . . 585 SER H . 15469 1 935 . 1 1 77 77 SER CA C 13 59.662 0.40 . 1 . . . . 585 SER CA . 15469 1 936 . 1 1 77 77 SER HA H 1 4.685 0.02 . 1 . . . . 585 SER HA . 15469 1 937 . 1 1 77 77 SER CB C 13 62.596 0.40 . 1 . . . . 585 SER CB . 15469 1 938 . 1 1 77 77 SER HB2 H 1 3.590 0.02 . 2 . . . . 585 SER HB2 . 15469 1 939 . 1 1 77 77 SER HB3 H 1 3.377 0.02 . 2 . . . . 585 SER HB3 . 15469 1 940 . 1 1 77 77 SER C C 13 173.581 0.40 . 1 . . . . 585 SER C . 15469 1 941 . 1 1 78 78 LYS N N 15 118.201 0.40 . 1 . . . . 586 LYS+ N . 15469 1 942 . 1 1 78 78 LYS H H 1 7.495 0.02 . 1 . . . . 586 LYS+ H . 15469 1 943 . 1 1 78 78 LYS CA C 13 55.721 0.40 . 1 . . . . 586 LYS+ CA . 15469 1 944 . 1 1 78 78 LYS HA H 1 4.071 0.02 . 1 . . . . 586 LYS+ HA . 15469 1 945 . 1 1 78 78 LYS CB C 13 32.616 0.40 . 1 . . . . 586 LYS+ CB . 15469 1 946 . 1 1 78 78 LYS HB2 H 1 1.780 0.02 . 2 . . . . 586 LYS+ HB2 . 15469 1 947 . 1 1 78 78 LYS HB3 H 1 1.583 0.02 . 2 . . . . 586 LYS+ HB3 . 15469 1 948 . 1 1 78 78 LYS CG C 13 24.742 0.40 . 1 . . . . 586 LYS+ CG . 15469 1 949 . 1 1 78 78 LYS HG2 H 1 1.351 0.02 . 2 . . . . 586 LYS+ HG2 . 15469 1 950 . 1 1 78 78 LYS HG3 H 1 1.316 0.02 . 2 . . . . 586 LYS+ HG3 . 15469 1 951 . 1 1 78 78 LYS CD C 13 28.552 0.40 . 1 . . . . 586 LYS+ CD . 15469 1 952 . 1 1 78 78 LYS HD2 H 1 1.532 0.02 . 2 . . . . 586 LYS+ QD . 15469 1 953 . 1 1 78 78 LYS CE C 13 41.936 0.40 . 1 . . . . 586 LYS+ CE . 15469 1 954 . 1 1 78 78 LYS HE2 H 1 2.898 0.02 . 2 . . . . 586 LYS+ QE . 15469 1 955 . 1 1 78 78 LYS C C 13 176.843 0.40 . 1 . . . . 586 LYS+ C . 15469 1 956 . 1 1 79 79 GLU N N 15 124.719 0.40 . 1 . . . . 587 GLU- N . 15469 1 957 . 1 1 79 79 GLU H H 1 7.192 0.02 . 1 . . . . 587 GLU- H . 15469 1 958 . 1 1 79 79 GLU CA C 13 53.227 0.40 . 1 . . . . 587 GLU- CA . 15469 1 959 . 1 1 79 79 GLU HA H 1 4.579 0.02 . 1 . . . . 587 GLU- HA . 15469 1 960 . 1 1 79 79 GLU CB C 13 30.427 0.40 . 1 . . . . 587 GLU- CB . 15469 1 961 . 1 1 79 79 GLU HB2 H 1 2.045 0.02 . 2 . . . . 587 GLU- QB . 15469 1 962 . 1 1 79 79 GLU CG C 13 35.740 0.40 . 1 . . . . 587 GLU- CG . 15469 1 963 . 1 1 79 79 GLU HG2 H 1 2.465 0.02 . 2 . . . . 587 GLU- HG2 . 15469 1 964 . 1 1 79 79 GLU HG3 H 1 2.336 0.02 . 2 . . . . 587 GLU- HG3 . 15469 1 965 . 1 1 80 80 PRO CD C 13 50.514 0.40 . 1 . . . . 588 PRO CD . 15469 1 966 . 1 1 80 80 PRO CA C 13 62.287 0.40 . 1 . . . . 588 PRO CA . 15469 1 967 . 1 1 80 80 PRO HA H 1 4.499 0.02 . 1 . . . . 588 PRO HA . 15469 1 968 . 1 1 80 80 PRO CB C 13 32.291 0.40 . 1 . . . . 588 PRO CB . 15469 1 969 . 1 1 80 80 PRO HB2 H 1 2.469 0.02 . 2 . . . . 588 PRO HB2 . 15469 1 970 . 1 1 80 80 PRO HB3 H 1 1.830 0.02 . 2 . . . . 588 PRO HB3 . 15469 1 971 . 1 1 80 80 PRO CG C 13 27.925 0.40 . 1 . . . . 588 PRO CG . 15469 1 972 . 1 1 80 80 PRO HG2 H 1 2.036 0.02 . 2 . . . . 588 PRO HG2 . 15469 1 973 . 1 1 80 80 PRO HG3 H 1 2.127 0.02 . 2 . . . . 588 PRO HG3 . 15469 1 974 . 1 1 80 80 PRO HD2 H 1 4.117 0.02 . 2 . . . . 588 PRO HD2 . 15469 1 975 . 1 1 80 80 PRO HD3 H 1 3.617 0.02 . 2 . . . . 588 PRO HD3 . 15469 1 976 . 1 1 80 80 PRO C C 13 178.135 0.40 . 1 . . . . 588 PRO C . 15469 1 977 . 1 1 81 81 VAL N N 15 123.156 0.40 . 1 . . . . 589 VAL N . 15469 1 978 . 1 1 81 81 VAL H H 1 8.536 0.02 . 1 . . . . 589 VAL H . 15469 1 979 . 1 1 81 81 VAL CA C 13 66.349 0.40 . 1 . . . . 589 VAL CA . 15469 1 980 . 1 1 81 81 VAL HA H 1 3.126 0.02 . 1 . . . . 589 VAL HA . 15469 1 981 . 1 1 81 81 VAL CB C 13 30.976 0.40 . 1 . . . . 589 VAL CB . 15469 1 982 . 1 1 81 81 VAL HB H 1 1.813 0.02 . 1 . . . . 589 VAL HB . 15469 1 983 . 1 1 81 81 VAL HG11 H 1 0.559 0.02 . 2 . . . . 589 VAL QG1 . 15469 1 984 . 1 1 81 81 VAL HG12 H 1 0.559 0.02 . 2 . . . . 589 VAL QG1 . 15469 1 985 . 1 1 81 81 VAL HG13 H 1 0.559 0.02 . 2 . . . . 589 VAL QG1 . 15469 1 986 . 1 1 81 81 VAL HG21 H 1 0.430 0.02 . 2 . . . . 589 VAL QG2 . 15469 1 987 . 1 1 81 81 VAL HG22 H 1 0.430 0.02 . 2 . . . . 589 VAL QG2 . 15469 1 988 . 1 1 81 81 VAL HG23 H 1 0.430 0.02 . 2 . . . . 589 VAL QG2 . 15469 1 989 . 1 1 81 81 VAL CG1 C 13 21.372 0.40 . 2 . . . . 589 VAL CG1 . 15469 1 990 . 1 1 81 81 VAL CG2 C 13 21.650 0.40 . 2 . . . . 589 VAL CG2 . 15469 1 991 . 1 1 81 81 VAL C C 13 177.361 0.40 . 1 . . . . 589 VAL C . 15469 1 992 . 1 1 82 82 ALA N N 15 118.739 0.40 . 1 . . . . 590 ALA N . 15469 1 993 . 1 1 82 82 ALA H H 1 8.700 0.02 . 1 . . . . 590 ALA H . 15469 1 994 . 1 1 82 82 ALA CA C 13 54.615 0.40 . 1 . . . . 590 ALA CA . 15469 1 995 . 1 1 82 82 ALA HA H 1 3.948 0.02 . 1 . . . . 590 ALA HA . 15469 1 996 . 1 1 82 82 ALA HB1 H 1 1.311 0.02 . 1 . . . . 590 ALA QB . 15469 1 997 . 1 1 82 82 ALA HB2 H 1 1.311 0.02 . 1 . . . . 590 ALA QB . 15469 1 998 . 1 1 82 82 ALA HB3 H 1 1.311 0.02 . 1 . . . . 590 ALA QB . 15469 1 999 . 1 1 82 82 ALA CB C 13 17.969 0.40 . 1 . . . . 590 ALA CB . 15469 1 1000 . 1 1 82 82 ALA C C 13 180.540 0.40 . 1 . . . . 590 ALA C . 15469 1 1001 . 1 1 83 83 SER N N 15 111.360 0.40 . 1 . . . . 591 SER N . 15469 1 1002 . 1 1 83 83 SER H H 1 6.955 0.02 . 1 . . . . 591 SER H . 15469 1 1003 . 1 1 83 83 SER CA C 13 59.783 0.40 . 1 . . . . 591 SER CA . 15469 1 1004 . 1 1 83 83 SER HA H 1 4.188 0.02 . 1 . . . . 591 SER HA . 15469 1 1005 . 1 1 83 83 SER CB C 13 61.813 0.40 . 1 . . . . 591 SER CB . 15469 1 1006 . 1 1 83 83 SER HB2 H 1 4.274 0.02 . 2 . . . . 591 SER HB2 . 15469 1 1007 . 1 1 83 83 SER HB3 H 1 3.901 0.02 . 2 . . . . 591 SER HB3 . 15469 1 1008 . 1 1 83 83 SER C C 13 176.590 0.40 . 1 . . . . 591 SER C . 15469 1 1009 . 1 1 84 84 ILE N N 15 122.362 0.40 . 1 . . . . 592 ILE N . 15469 1 1010 . 1 1 84 84 ILE H H 1 7.384 0.02 . 1 . . . . 592 ILE H . 15469 1 1011 . 1 1 84 84 ILE CA C 13 65.099 0.40 . 1 . . . . 592 ILE CA . 15469 1 1012 . 1 1 84 84 ILE HA H 1 3.359 0.02 . 1 . . . . 592 ILE HA . 15469 1 1013 . 1 1 84 84 ILE CB C 13 38.243 0.40 . 1 . . . . 592 ILE CB . 15469 1 1014 . 1 1 84 84 ILE HB H 1 1.496 0.02 . 1 . . . . 592 ILE HB . 15469 1 1015 . 1 1 84 84 ILE HG21 H 1 0.445 0.02 . 1 . . . . 592 ILE QG2 . 15469 1 1016 . 1 1 84 84 ILE HG22 H 1 0.445 0.02 . 1 . . . . 592 ILE QG2 . 15469 1 1017 . 1 1 84 84 ILE HG23 H 1 0.445 0.02 . 1 . . . . 592 ILE QG2 . 15469 1 1018 . 1 1 84 84 ILE CG2 C 13 15.418 0.40 . 1 . . . . 592 ILE CG2 . 15469 1 1019 . 1 1 84 84 ILE CG1 C 13 28.228 0.40 . 1 . . . . 592 ILE CG1 . 15469 1 1020 . 1 1 84 84 ILE HG12 H 1 1.494 0.02 . 2 . . . . 592 ILE HG12 . 15469 1 1021 . 1 1 84 84 ILE HG13 H 1 0.654 0.02 . 2 . . . . 592 ILE HG13 . 15469 1 1022 . 1 1 84 84 ILE HD11 H 1 0.276 0.02 . 1 . . . . 592 ILE QD1 . 15469 1 1023 . 1 1 84 84 ILE HD12 H 1 0.276 0.02 . 1 . . . . 592 ILE QD1 . 15469 1 1024 . 1 1 84 84 ILE HD13 H 1 0.276 0.02 . 1 . . . . 592 ILE QD1 . 15469 1 1025 . 1 1 84 84 ILE CD1 C 13 16.677 0.40 . 1 . . . . 592 ILE CD1 . 15469 1 1026 . 1 1 84 84 ILE C C 13 177.701 0.40 . 1 . . . . 592 ILE C . 15469 1 1027 . 1 1 85 85 ILE N N 15 117.721 0.40 . 1 . . . . 593 ILE N . 15469 1 1028 . 1 1 85 85 ILE H H 1 8.309 0.02 . 1 . . . . 593 ILE H . 15469 1 1029 . 1 1 85 85 ILE CA C 13 64.784 0.40 . 1 . . . . 593 ILE CA . 15469 1 1030 . 1 1 85 85 ILE HA H 1 3.248 0.02 . 1 . . . . 593 ILE HA . 15469 1 1031 . 1 1 85 85 ILE CB C 13 36.659 0.40 . 1 . . . . 593 ILE CB . 15469 1 1032 . 1 1 85 85 ILE HB H 1 1.709 0.02 . 1 . . . . 593 ILE HB . 15469 1 1033 . 1 1 85 85 ILE HG21 H 1 0.626 0.02 . 1 . . . . 593 ILE QG2 . 15469 1 1034 . 1 1 85 85 ILE HG22 H 1 0.626 0.02 . 1 . . . . 593 ILE QG2 . 15469 1 1035 . 1 1 85 85 ILE HG23 H 1 0.626 0.02 . 1 . . . . 593 ILE QG2 . 15469 1 1036 . 1 1 85 85 ILE CG2 C 13 16.380 0.40 . 1 . . . . 593 ILE CG2 . 15469 1 1037 . 1 1 85 85 ILE CG1 C 13 29.813 0.40 . 1 . . . . 593 ILE CG1 . 15469 1 1038 . 1 1 85 85 ILE HG12 H 1 1.408 0.02 . 2 . . . . 593 ILE HG12 . 15469 1 1039 . 1 1 85 85 ILE HG13 H 1 0.877 0.02 . 2 . . . . 593 ILE HG13 . 15469 1 1040 . 1 1 85 85 ILE HD11 H 1 0.524 0.02 . 1 . . . . 593 ILE QD1 . 15469 1 1041 . 1 1 85 85 ILE HD12 H 1 0.524 0.02 . 1 . . . . 593 ILE QD1 . 15469 1 1042 . 1 1 85 85 ILE HD13 H 1 0.524 0.02 . 1 . . . . 593 ILE QD1 . 15469 1 1043 . 1 1 85 85 ILE CD1 C 13 12.325 0.40 . 1 . . . . 593 ILE CD1 . 15469 1 1044 . 1 1 85 85 ILE C C 13 177.530 0.40 . 1 . . . . 593 ILE C . 15469 1 1045 . 1 1 86 86 THR N N 15 117.059 0.40 . 1 . . . . 594 THR N . 15469 1 1046 . 1 1 86 86 THR H H 1 7.823 0.02 . 1 . . . . 594 THR H . 15469 1 1047 . 1 1 86 86 THR CA C 13 67.909 0.40 . 1 . . . . 594 THR CA . 15469 1 1048 . 1 1 86 86 THR HA H 1 4.306 0.02 . 1 . . . . 594 THR HA . 15469 1 1049 . 1 1 86 86 THR CB C 13 68.795 0.40 . 1 . . . . 594 THR CB . 15469 1 1050 . 1 1 86 86 THR HB H 1 3.845 0.02 . 1 . . . . 594 THR HB . 15469 1 1051 . 1 1 86 86 THR HG21 H 1 1.180 0.02 . 1 . . . . 594 THR QG2 . 15469 1 1052 . 1 1 86 86 THR HG22 H 1 1.180 0.02 . 1 . . . . 594 THR QG2 . 15469 1 1053 . 1 1 86 86 THR HG23 H 1 1.180 0.02 . 1 . . . . 594 THR QG2 . 15469 1 1054 . 1 1 86 86 THR CG2 C 13 21.353 0.40 . 1 . . . . 594 THR CG2 . 15469 1 1055 . 1 1 86 86 THR C C 13 177.039 0.40 . 1 . . . . 594 THR C . 15469 1 1056 . 1 1 87 87 LYS N N 15 122.600 0.40 . 1 . . . . 595 LYS+ N . 15469 1 1057 . 1 1 87 87 LYS H H 1 7.813 0.02 . 1 . . . . 595 LYS+ H . 15469 1 1058 . 1 1 87 87 LYS CA C 13 59.557 0.40 . 1 . . . . 595 LYS+ CA . 15469 1 1059 . 1 1 87 87 LYS HA H 1 3.926 0.02 . 1 . . . . 595 LYS+ HA . 15469 1 1060 . 1 1 87 87 LYS CB C 13 32.318 0.40 . 1 . . . . 595 LYS+ CB . 15469 1 1061 . 1 1 87 87 LYS HB2 H 1 1.976 0.02 . 2 . . . . 595 LYS+ HB2 . 15469 1 1062 . 1 1 87 87 LYS HB3 H 1 1.705 0.02 . 2 . . . . 595 LYS+ HB3 . 15469 1 1063 . 1 1 87 87 LYS CG C 13 25.723 0.40 . 1 . . . . 595 LYS+ CG . 15469 1 1064 . 1 1 87 87 LYS HG2 H 1 1.584 0.02 . 2 . . . . 595 LYS+ HG2 . 15469 1 1065 . 1 1 87 87 LYS HG3 H 1 1.435 0.02 . 2 . . . . 595 LYS+ HG3 . 15469 1 1066 . 1 1 87 87 LYS CD C 13 30.110 0.40 . 1 . . . . 595 LYS+ CD . 15469 1 1067 . 1 1 87 87 LYS HD2 H 1 1.782 0.02 . 2 . . . . 595 LYS+ HD2 . 15469 1 1068 . 1 1 87 87 LYS HD3 H 1 1.752 0.02 . 2 . . . . 595 LYS+ HD3 . 15469 1 1069 . 1 1 87 87 LYS CE C 13 41.957 0.40 . 1 . . . . 595 LYS+ CE . 15469 1 1070 . 1 1 87 87 LYS HE2 H 1 2.967 0.02 . 2 . . . . 595 LYS+ HE2 . 15469 1 1071 . 1 1 87 87 LYS HE3 H 1 2.779 0.02 . 2 . . . . 595 LYS+ HE3 . 15469 1 1072 . 1 1 87 87 LYS C C 13 179.679 0.40 . 1 . . . . 595 LYS+ C . 15469 1 1073 . 1 1 88 88 LEU N N 15 119.505 0.40 . 1 . . . . 596 LEU N . 15469 1 1074 . 1 1 88 88 LEU H H 1 8.095 0.02 . 1 . . . . 596 LEU H . 15469 1 1075 . 1 1 88 88 LEU CA C 13 56.966 0.40 . 1 . . . . 596 LEU CA . 15469 1 1076 . 1 1 88 88 LEU HA H 1 3.674 0.02 . 1 . . . . 596 LEU HA . 15469 1 1077 . 1 1 88 88 LEU CB C 13 41.039 0.40 . 1 . . . . 596 LEU CB . 15469 1 1078 . 1 1 88 88 LEU HB2 H 1 1.639 0.02 . 2 . . . . 596 LEU HB2 . 15469 1 1079 . 1 1 88 88 LEU HB3 H 1 0.914 0.02 . 2 . . . . 596 LEU HB3 . 15469 1 1080 . 1 1 88 88 LEU CG C 13 25.738 0.40 . 1 . . . . 596 LEU CG . 15469 1 1081 . 1 1 88 88 LEU HG H 1 1.395 0.02 . 1 . . . . 596 LEU HG . 15469 1 1082 . 1 1 88 88 LEU HD11 H 1 0.416 0.02 . 2 . . . . 596 LEU QD1 . 15469 1 1083 . 1 1 88 88 LEU HD12 H 1 0.416 0.02 . 2 . . . . 596 LEU QD1 . 15469 1 1084 . 1 1 88 88 LEU HD13 H 1 0.416 0.02 . 2 . . . . 596 LEU QD1 . 15469 1 1085 . 1 1 88 88 LEU HD21 H 1 -0.061 0.02 . 2 . . . . 596 LEU QD2 . 15469 1 1086 . 1 1 88 88 LEU HD22 H 1 -0.061 0.02 . 2 . . . . 596 LEU QD2 . 15469 1 1087 . 1 1 88 88 LEU HD23 H 1 -0.061 0.02 . 2 . . . . 596 LEU QD2 . 15469 1 1088 . 1 1 88 88 LEU CD1 C 13 25.731 0.40 . 2 . . . . 596 LEU CD1 . 15469 1 1089 . 1 1 88 88 LEU CD2 C 13 20.753 0.40 . 2 . . . . 596 LEU CD2 . 15469 1 1090 . 1 1 88 88 LEU C C 13 180.455 0.40 . 1 . . . . 596 LEU C . 15469 1 1091 . 1 1 89 89 ASN N N 15 121.004 0.40 . 1 . . . . 597 ASN N . 15469 1 1092 . 1 1 89 89 ASN H H 1 8.945 0.02 . 1 . . . . 597 ASN H . 15469 1 1093 . 1 1 89 89 ASN CA C 13 54.465 0.40 . 1 . . . . 597 ASN CA . 15469 1 1094 . 1 1 89 89 ASN HA H 1 4.471 0.02 . 1 . . . . 597 ASN HA . 15469 1 1095 . 1 1 89 89 ASN CB C 13 36.990 0.40 . 1 . . . . 597 ASN CB . 15469 1 1096 . 1 1 89 89 ASN HB2 H 1 3.005 0.02 . 2 . . . . 597 ASN HB2 . 15469 1 1097 . 1 1 89 89 ASN HB3 H 1 2.661 0.02 . 2 . . . . 597 ASN HB3 . 15469 1 1098 . 1 1 89 89 ASN ND2 N 15 108.978 0.40 . 1 . . . . 597 ASN ND2 . 15469 1 1099 . 1 1 89 89 ASN HD21 H 1 7.659 0.02 . 2 . . . . 597 ASN HD21 . 15469 1 1100 . 1 1 89 89 ASN HD22 H 1 7.057 0.02 . 2 . . . . 597 ASN HD22 . 15469 1 1101 . 1 1 89 89 ASN C C 13 178.392 0.40 . 1 . . . . 597 ASN C . 15469 1 1102 . 1 1 90 90 SER N N 15 116.600 0.40 . 1 . . . . 598 SER N . 15469 1 1103 . 1 1 90 90 SER H H 1 7.923 0.02 . 1 . . . . 598 SER H . 15469 1 1104 . 1 1 90 90 SER CA C 13 60.698 0.40 . 1 . . . . 598 SER CA . 15469 1 1105 . 1 1 90 90 SER HA H 1 4.132 0.02 . 1 . . . . 598 SER HA . 15469 1 1106 . 1 1 90 90 SER CB C 13 62.286 0.40 . 1 . . . . 598 SER CB . 15469 1 1107 . 1 1 90 90 SER HB2 H 1 3.937 0.02 . 2 . . . . 598 SER HB2 . 15469 1 1108 . 1 1 90 90 SER HB3 H 1 3.895 0.02 . 2 . . . . 598 SER HB3 . 15469 1 1109 . 1 1 90 90 SER C C 13 176.159 0.40 . 1 . . . . 598 SER C . 15469 1 1110 . 1 1 91 91 LEU N N 15 121.221 0.40 . 1 . . . . 599 LEU N . 15469 1 1111 . 1 1 91 91 LEU H H 1 7.545 0.02 . 1 . . . . 599 LEU H . 15469 1 1112 . 1 1 91 91 LEU CA C 13 56.968 0.40 . 1 . . . . 599 LEU CA . 15469 1 1113 . 1 1 91 91 LEU HA H 1 3.967 0.02 . 1 . . . . 599 LEU HA . 15469 1 1114 . 1 1 91 91 LEU CB C 13 41.666 0.40 . 1 . . . . 599 LEU CB . 15469 1 1115 . 1 1 91 91 LEU HB2 H 1 1.783 0.02 . 2 . . . . 599 LEU HB2 . 15469 1 1116 . 1 1 91 91 LEU HB3 H 1 1.345 0.02 . 2 . . . . 599 LEU HB3 . 15469 1 1117 . 1 1 91 91 LEU CG C 13 26.682 0.40 . 1 . . . . 599 LEU CG . 15469 1 1118 . 1 1 91 91 LEU HG H 1 1.657 0.02 . 1 . . . . 599 LEU HG . 15469 1 1119 . 1 1 91 91 LEU HD11 H 1 0.636 0.02 . 2 . . . . 599 LEU QD1 . 15469 1 1120 . 1 1 91 91 LEU HD12 H 1 0.636 0.02 . 2 . . . . 599 LEU QD1 . 15469 1 1121 . 1 1 91 91 LEU HD13 H 1 0.636 0.02 . 2 . . . . 599 LEU QD1 . 15469 1 1122 . 1 1 91 91 LEU HD21 H 1 0.819 0.02 . 2 . . . . 599 LEU QD2 . 15469 1 1123 . 1 1 91 91 LEU HD22 H 1 0.819 0.02 . 2 . . . . 599 LEU QD2 . 15469 1 1124 . 1 1 91 91 LEU HD23 H 1 0.819 0.02 . 2 . . . . 599 LEU QD2 . 15469 1 1125 . 1 1 91 91 LEU CD1 C 13 25.734 0.40 . 2 . . . . 599 LEU CD1 . 15469 1 1126 . 1 1 91 91 LEU CD2 C 13 22.632 0.40 . 2 . . . . 599 LEU CD2 . 15469 1 1127 . 1 1 91 91 LEU C C 13 178.136 0.40 . 1 . . . . 599 LEU C . 15469 1 1128 . 1 1 92 92 ASN N N 15 113.191 0.40 . 1 . . . . 600 ASN N . 15469 1 1129 . 1 1 92 92 ASN H H 1 7.745 0.02 . 1 . . . . 600 ASN H . 15469 1 1130 . 1 1 92 92 ASN CA C 13 53.232 0.40 . 1 . . . . 600 ASN CA . 15469 1 1131 . 1 1 92 92 ASN HA H 1 4.114 0.02 . 1 . . . . 600 ASN HA . 15469 1 1132 . 1 1 92 92 ASN CB C 13 37.596 0.40 . 1 . . . . 600 ASN CB . 15469 1 1133 . 1 1 92 92 ASN HB2 H 1 3.116 0.02 . 2 . . . . 600 ASN HB2 . 15469 1 1134 . 1 1 92 92 ASN HB3 H 1 2.283 0.02 . 2 . . . . 600 ASN HB3 . 15469 1 1135 . 1 1 92 92 ASN ND2 N 15 109.412 0.40 . 1 . . . . 600 ASN ND2 . 15469 1 1136 . 1 1 92 92 ASN HD21 H 1 7.407 0.02 . 2 . . . . 600 ASN HD21 . 15469 1 1137 . 1 1 92 92 ASN HD22 H 1 6.460 0.02 . 2 . . . . 600 ASN HD22 . 15469 1 1138 . 1 1 92 92 ASN C C 13 173.421 0.40 . 1 . . . . 600 ASN C . 15469 1 1139 . 1 1 93 93 GLU N N 15 118.693 0.40 . 1 . . . . 601 GLU- N . 15469 1 1140 . 1 1 93 93 GLU H H 1 8.393 0.02 . 1 . . . . 601 GLU- H . 15469 1 1141 . 1 1 93 93 GLU CA C 13 53.415 0.40 . 1 . . . . 601 GLU- CA . 15469 1 1142 . 1 1 93 93 GLU HA H 1 4.675 0.02 . 1 . . . . 601 GLU- HA . 15469 1 1143 . 1 1 93 93 GLU CB C 13 30.439 0.40 . 1 . . . . 601 GLU- CB . 15469 1 1144 . 1 1 93 93 GLU HB2 H 1 1.984 0.02 . 2 . . . . 601 GLU- HB2 . 15469 1 1145 . 1 1 93 93 GLU HB3 H 1 1.683 0.02 . 2 . . . . 601 GLU- HB3 . 15469 1 1146 . 1 1 93 93 GLU CG C 13 36.356 0.40 . 1 . . . . 601 GLU- CG . 15469 1 1147 . 1 1 93 93 GLU HG2 H 1 1.985 0.02 . 2 . . . . 601 GLU- HG2 . 15469 1 1148 . 1 1 93 93 GLU HG3 H 1 2.039 0.02 . 2 . . . . 601 GLU- HG3 . 15469 1 1149 . 1 1 94 94 PRO CD C 13 49.777 0.40 . 1 . . . . 602 PRO CD . 15469 1 1150 . 1 1 94 94 PRO CA C 13 61.957 0.40 . 1 . . . . 602 PRO CA . 15469 1 1151 . 1 1 94 94 PRO HA H 1 4.778 0.02 . 1 . . . . 602 PRO HA . 15469 1 1152 . 1 1 94 94 PRO CB C 13 32.142 0.40 . 1 . . . . 602 PRO CB . 15469 1 1153 . 1 1 94 94 PRO HB2 H 1 2.174 0.02 . 2 . . . . 602 PRO HB2 . 15469 1 1154 . 1 1 94 94 PRO HB3 H 1 1.764 0.02 . 2 . . . . 602 PRO HB3 . 15469 1 1155 . 1 1 94 94 PRO CG C 13 27.882 0.40 . 1 . . . . 602 PRO CG . 15469 1 1156 . 1 1 94 94 PRO HG2 H 1 2.106 0.02 . 2 . . . . 602 PRO HG2 . 15469 1 1157 . 1 1 94 94 PRO HG3 H 1 1.924 0.02 . 2 . . . . 602 PRO HG3 . 15469 1 1158 . 1 1 94 94 PRO HD2 H 1 3.762 0.02 . 2 . . . . 602 PRO HD2 . 15469 1 1159 . 1 1 94 94 PRO HD3 H 1 3.681 0.02 . 2 . . . . 602 PRO HD3 . 15469 1 1160 . 1 1 94 94 PRO C C 13 176.504 0.40 . 1 . . . . 602 PRO C . 15469 1 1161 . 1 1 95 95 LEU N N 15 118.441 0.40 . 1 . . . . 603 LEU N . 15469 1 1162 . 1 1 95 95 LEU H H 1 8.497 0.02 . 1 . . . . 603 LEU H . 15469 1 1163 . 1 1 95 95 LEU CA C 13 53.228 0.40 . 1 . . . . 603 LEU CA . 15469 1 1164 . 1 1 95 95 LEU HA H 1 5.772 0.02 . 1 . . . . 603 LEU HA . 15469 1 1165 . 1 1 95 95 LEU CB C 13 47.903 0.40 . 1 . . . . 603 LEU CB . 15469 1 1166 . 1 1 95 95 LEU HB2 H 1 1.548 0.02 . 2 . . . . 603 LEU HB2 . 15469 1 1167 . 1 1 95 95 LEU HB3 H 1 1.220 0.02 . 2 . . . . 603 LEU HB3 . 15469 1 1168 . 1 1 95 95 LEU CG C 13 25.725 0.40 . 1 . . . . 603 LEU CG . 15469 1 1169 . 1 1 95 95 LEU HG H 1 1.995 0.02 . 1 . . . . 603 LEU HG . 15469 1 1170 . 1 1 95 95 LEU HD11 H 1 0.709 0.02 . 2 . . . . 603 LEU QD1 . 15469 1 1171 . 1 1 95 95 LEU HD12 H 1 0.709 0.02 . 2 . . . . 603 LEU QD1 . 15469 1 1172 . 1 1 95 95 LEU HD13 H 1 0.709 0.02 . 2 . . . . 603 LEU QD1 . 15469 1 1173 . 1 1 95 95 LEU HD21 H 1 0.752 0.02 . 2 . . . . 603 LEU QD2 . 15469 1 1174 . 1 1 95 95 LEU HD22 H 1 0.752 0.02 . 2 . . . . 603 LEU QD2 . 15469 1 1175 . 1 1 95 95 LEU HD23 H 1 0.752 0.02 . 2 . . . . 603 LEU QD2 . 15469 1 1176 . 1 1 95 95 LEU CD1 C 13 28.271 0.40 . 2 . . . . 603 LEU CD1 . 15469 1 1177 . 1 1 95 95 LEU CD2 C 13 26.360 0.40 . 2 . . . . 603 LEU CD2 . 15469 1 1178 . 1 1 95 95 LEU C C 13 178.049 0.40 . 1 . . . . 603 LEU C . 15469 1 1179 . 1 1 96 96 VAL N N 15 121.244 0.40 . 1 . . . . 604 VAL N . 15469 1 1180 . 1 1 96 96 VAL H H 1 8.389 0.02 . 1 . . . . 604 VAL H . 15469 1 1181 . 1 1 96 96 VAL CA C 13 59.470 0.40 . 1 . . . . 604 VAL CA . 15469 1 1182 . 1 1 96 96 VAL HA H 1 5.082 0.02 . 1 . . . . 604 VAL HA . 15469 1 1183 . 1 1 96 96 VAL CB C 13 33.939 0.40 . 1 . . . . 604 VAL CB . 15469 1 1184 . 1 1 96 96 VAL HB H 1 1.977 0.02 . 1 . . . . 604 VAL HB . 15469 1 1185 . 1 1 96 96 VAL HG11 H 1 1.017 0.02 . 2 . . . . 604 VAL QG1 . 15469 1 1186 . 1 1 96 96 VAL HG12 H 1 1.017 0.02 . 2 . . . . 604 VAL QG1 . 15469 1 1187 . 1 1 96 96 VAL HG13 H 1 1.017 0.02 . 2 . . . . 604 VAL QG1 . 15469 1 1188 . 1 1 96 96 VAL HG21 H 1 1.067 0.02 . 2 . . . . 604 VAL QG2 . 15469 1 1189 . 1 1 96 96 VAL HG22 H 1 1.067 0.02 . 2 . . . . 604 VAL QG2 . 15469 1 1190 . 1 1 96 96 VAL HG23 H 1 1.067 0.02 . 2 . . . . 604 VAL QG2 . 15469 1 1191 . 1 1 96 96 VAL CG1 C 13 21.996 0.40 . 2 . . . . 604 VAL CG1 . 15469 1 1192 . 1 1 96 96 VAL CG2 C 13 19.485 0.40 . 2 . . . . 604 VAL CG2 . 15469 1 1193 . 1 1 96 96 VAL C C 13 172.801 0.40 . 1 . . . . 604 VAL C . 15469 1 1194 . 1 1 97 97 THR N N 15 117.618 0.40 . 1 . . . . 605 THR N . 15469 1 1195 . 1 1 97 97 THR H H 1 8.614 0.02 . 1 . . . . 605 THR H . 15469 1 1196 . 1 1 97 97 THR CA C 13 59.463 0.40 . 1 . . . . 605 THR CA . 15469 1 1197 . 1 1 97 97 THR HA H 1 5.104 0.02 . 1 . . . . 605 THR HA . 15469 1 1198 . 1 1 97 97 THR CB C 13 71.288 0.40 . 1 . . . . 605 THR CB . 15469 1 1199 . 1 1 97 97 THR HB H 1 3.501 0.02 . 1 . . . . 605 THR HB . 15469 1 1200 . 1 1 97 97 THR HG21 H 1 0.810 0.02 . 1 . . . . 605 THR QG2 . 15469 1 1201 . 1 1 97 97 THR HG22 H 1 0.810 0.02 . 1 . . . . 605 THR QG2 . 15469 1 1202 . 1 1 97 97 THR HG23 H 1 0.810 0.02 . 1 . . . . 605 THR QG2 . 15469 1 1203 . 1 1 97 97 THR CG2 C 13 19.797 0.40 . 1 . . . . 605 THR CG2 . 15469 1 1204 . 1 1 97 97 THR C C 13 172.889 0.40 . 1 . . . . 605 THR C . 15469 1 1205 . 1 1 98 98 MET N N 15 125.037 0.40 . 1 . . . . 606 MET N . 15469 1 1206 . 1 1 98 98 MET H H 1 8.237 0.02 . 1 . . . . 606 MET H . 15469 1 1207 . 1 1 98 98 MET CA C 13 55.146 0.40 . 1 . . . . 606 MET CA . 15469 1 1208 . 1 1 98 98 MET HA H 1 5.273 0.02 . 1 . . . . 606 MET HA . 15469 1 1209 . 1 1 98 98 MET CB C 13 31.400 0.40 . 1 . . . . 606 MET CB . 15469 1 1210 . 1 1 98 98 MET HB2 H 1 2.225 0.02 . 2 . . . . 606 MET HB2 . 15469 1 1211 . 1 1 98 98 MET HB3 H 1 1.912 0.02 . 2 . . . . 606 MET HB3 . 15469 1 1212 . 1 1 98 98 MET CG C 13 33.220 0.40 . 1 . . . . 606 MET CG . 15469 1 1213 . 1 1 98 98 MET HG2 H 1 2.866 0.02 . 2 . . . . 606 MET HG2 . 15469 1 1214 . 1 1 98 98 MET HG3 H 1 2.543 0.02 . 2 . . . . 606 MET HG3 . 15469 1 1215 . 1 1 98 98 MET HE1 H 1 2.150 0.02 . 1 . . . . 606 MET QE . 15469 1 1216 . 1 1 98 98 MET HE2 H 1 2.150 0.02 . 1 . . . . 606 MET QE . 15469 1 1217 . 1 1 98 98 MET HE3 H 1 2.150 0.02 . 1 . . . . 606 MET QE . 15469 1 1218 . 1 1 98 98 MET CE C 13 17.290 0.40 . 1 . . . . 606 MET CE . 15469 1 1219 . 1 1 99 99 PRO CD C 13 49.078 0.40 . 1 . . . . 607 PRO CD . 15469 1 1220 . 1 1 99 99 PRO CA C 13 63.510 0.40 . 1 . . . . 607 PRO CA . 15469 1 1221 . 1 1 99 99 PRO HA H 1 4.048 0.02 . 1 . . . . 607 PRO HA . 15469 1 1222 . 1 1 99 99 PRO CB C 13 31.059 0.40 . 1 . . . . 607 PRO CB . 15469 1 1223 . 1 1 99 99 PRO HB2 H 1 2.024 0.02 . 2 . . . . 607 PRO HB2 . 15469 1 1224 . 1 1 99 99 PRO HB3 H 1 1.769 0.02 . 2 . . . . 607 PRO HB3 . 15469 1 1225 . 1 1 99 99 PRO CG C 13 28.548 0.40 . 1 . . . . 607 PRO CG . 15469 1 1226 . 1 1 99 99 PRO HG2 H 1 1.531 0.02 . 2 . . . . 607 PRO HG2 . 15469 1 1227 . 1 1 99 99 PRO HG3 H 1 1.172 0.02 . 2 . . . . 607 PRO HG3 . 15469 1 1228 . 1 1 99 99 PRO HD2 H 1 3.960 0.02 . 2 . . . . 607 PRO HD2 . 15469 1 1229 . 1 1 99 99 PRO HD3 H 1 3.348 0.02 . 2 . . . . 607 PRO HD3 . 15469 1 1230 . 1 1 99 99 PRO C C 13 176.761 0.40 . 1 . . . . 607 PRO C . 15469 1 1231 . 1 1 100 100 ILE N N 15 133.077 0.40 . 1 . . . . 608 ILE N . 15469 1 1232 . 1 1 100 100 ILE H H 1 8.362 0.02 . 1 . . . . 608 ILE H . 15469 1 1233 . 1 1 100 100 ILE CA C 13 63.219 0.40 . 1 . . . . 608 ILE CA . 15469 1 1234 . 1 1 100 100 ILE HA H 1 3.422 0.02 . 1 . . . . 608 ILE HA . 15469 1 1235 . 1 1 100 100 ILE CB C 13 35.753 0.40 . 1 . . . . 608 ILE CB . 15469 1 1236 . 1 1 100 100 ILE HB H 1 1.656 0.02 . 1 . . . . 608 ILE HB . 15469 1 1237 . 1 1 100 100 ILE HG21 H 1 0.411 0.02 . 1 . . . . 608 ILE QG2 . 15469 1 1238 . 1 1 100 100 ILE HG22 H 1 0.411 0.02 . 1 . . . . 608 ILE QG2 . 15469 1 1239 . 1 1 100 100 ILE HG23 H 1 0.411 0.02 . 1 . . . . 608 ILE QG2 . 15469 1 1240 . 1 1 100 100 ILE CG2 C 13 16.978 0.40 . 1 . . . . 608 ILE CG2 . 15469 1 1241 . 1 1 100 100 ILE CG1 C 13 27.921 0.40 . 1 . . . . 608 ILE CG1 . 15469 1 1242 . 1 1 100 100 ILE HG12 H 1 1.488 0.02 . 2 . . . . 608 ILE HG12 . 15469 1 1243 . 1 1 100 100 ILE HG13 H 1 1.153 0.02 . 2 . . . . 608 ILE HG13 . 15469 1 1244 . 1 1 100 100 ILE HD11 H 1 0.573 0.02 . 1 . . . . 608 ILE QD1 . 15469 1 1245 . 1 1 100 100 ILE HD12 H 1 0.573 0.02 . 1 . . . . 608 ILE QD1 . 15469 1 1246 . 1 1 100 100 ILE HD13 H 1 0.573 0.02 . 1 . . . . 608 ILE QD1 . 15469 1 1247 . 1 1 100 100 ILE CD1 C 13 11.050 0.40 . 1 . . . . 608 ILE CD1 . 15469 1 1248 . 1 1 100 100 ILE C C 13 173.662 0.40 . 1 . . . . 608 ILE C . 15469 1 1249 . 1 1 101 101 GLY N N 15 111.532 0.40 . 1 . . . . 609 GLY N . 15469 1 1250 . 1 1 101 101 GLY H H 1 8.552 0.02 . 1 . . . . 609 GLY H . 15469 1 1251 . 1 1 101 101 GLY CA C 13 44.493 0.40 . 1 . . . . 609 GLY CA . 15469 1 1252 . 1 1 101 101 GLY HA2 H 1 3.439 0.02 . 2 . . . . 609 GLY HA2 . 15469 1 1253 . 1 1 101 101 GLY HA3 H 1 4.097 0.02 . 2 . . . . 609 GLY HA3 . 15469 1 1254 . 1 1 101 101 GLY C C 13 175.984 0.40 . 1 . . . . 609 GLY C . 15469 1 1255 . 1 1 102 102 TYR N N 15 121.461 0.40 . 1 . . . . 610 TYR N . 15469 1 1256 . 1 1 102 102 TYR H H 1 7.215 0.02 . 1 . . . . 610 TYR H . 15469 1 1257 . 1 1 102 102 TYR CA C 13 57.321 0.40 . 1 . . . . 610 TYR CA . 15469 1 1258 . 1 1 102 102 TYR HA H 1 4.429 0.02 . 1 . . . . 610 TYR HA . 15469 1 1259 . 1 1 102 102 TYR CB C 13 38.541 0.40 . 1 . . . . 610 TYR CB . 15469 1 1260 . 1 1 102 102 TYR HB2 H 1 3.012 0.02 . 2 . . . . 610 TYR HB2 . 15469 1 1261 . 1 1 102 102 TYR HB3 H 1 2.726 0.02 . 2 . . . . 610 TYR HB3 . 15469 1 1262 . 1 1 102 102 TYR HD1 H 1 7.049 0.02 . 3 . . . . 610 TYR QD . 15469 1 1263 . 1 1 102 102 TYR HE1 H 1 6.894 0.02 . 3 . . . . 610 TYR QE . 15469 1 1264 . 1 1 102 102 TYR CD1 C 13 132.608 0.40 . 3 . . . . 610 TYR CD1 . 15469 1 1265 . 1 1 102 102 TYR CE1 C 13 118.828 0.40 . 3 . . . . 610 TYR CE1 . 15469 1 1266 . 1 1 102 102 TYR C C 13 177.531 0.40 . 1 . . . . 610 TYR C . 15469 1 1267 . 1 1 103 103 VAL N N 15 128.004 0.40 . 1 . . . . 611 VAL N . 15469 1 1268 . 1 1 103 103 VAL H H 1 8.963 0.02 . 1 . . . . 611 VAL H . 15469 1 1269 . 1 1 103 103 VAL CA C 13 69.774 0.40 . 1 . . . . 611 VAL CA . 15469 1 1270 . 1 1 103 103 VAL HA H 1 3.059 0.02 . 1 . . . . 611 VAL HA . 15469 1 1271 . 1 1 103 103 VAL CB C 13 30.419 0.40 . 1 . . . . 611 VAL CB . 15469 1 1272 . 1 1 103 103 VAL HB H 1 2.450 0.02 . 1 . . . . 611 VAL HB . 15469 1 1273 . 1 1 103 103 VAL HG11 H 1 0.710 0.02 . 2 . . . . 611 VAL QG1 . 15469 1 1274 . 1 1 103 103 VAL HG12 H 1 0.710 0.02 . 2 . . . . 611 VAL QG1 . 15469 1 1275 . 1 1 103 103 VAL HG13 H 1 0.710 0.02 . 2 . . . . 611 VAL QG1 . 15469 1 1276 . 1 1 103 103 VAL HG21 H 1 0.024 0.02 . 2 . . . . 611 VAL QG2 . 15469 1 1277 . 1 1 103 103 VAL HG22 H 1 0.024 0.02 . 2 . . . . 611 VAL QG2 . 15469 1 1278 . 1 1 103 103 VAL HG23 H 1 0.024 0.02 . 2 . . . . 611 VAL QG2 . 15469 1 1279 . 1 1 103 103 VAL CG1 C 13 21.337 0.40 . 2 . . . . 611 VAL CG1 . 15469 1 1280 . 1 1 103 103 VAL CG2 C 13 20.167 0.40 . 2 . . . . 611 VAL CG2 . 15469 1 1281 . 1 1 103 103 VAL C C 13 180.538 0.40 . 1 . . . . 611 VAL C . 15469 1 1282 . 1 1 104 104 THR N N 15 117.835 0.40 . 1 . . . . 612 THR N . 15469 1 1283 . 1 1 104 104 THR H H 1 9.346 0.02 . 1 . . . . 612 THR H . 15469 1 1284 . 1 1 104 104 THR CA C 13 64.498 0.40 . 1 . . . . 612 THR CA . 15469 1 1285 . 1 1 104 104 THR HA H 1 3.804 0.02 . 1 . . . . 612 THR HA . 15469 1 1286 . 1 1 104 104 THR CB C 13 67.919 0.40 . 1 . . . . 612 THR CB . 15469 1 1287 . 1 1 104 104 THR HB H 1 4.285 0.02 . 1 . . . . 612 THR HB . 15469 1 1288 . 1 1 104 104 THR HG21 H 1 1.270 0.02 . 1 . . . . 612 THR QG2 . 15469 1 1289 . 1 1 104 104 THR HG22 H 1 1.270 0.02 . 1 . . . . 612 THR QG2 . 15469 1 1290 . 1 1 104 104 THR HG23 H 1 1.270 0.02 . 1 . . . . 612 THR QG2 . 15469 1 1291 . 1 1 104 104 THR CG2 C 13 21.670 0.40 . 1 . . . . 612 THR CG2 . 15469 1 1292 . 1 1 104 104 THR C C 13 175.208 0.40 . 1 . . . . 612 THR C . 15469 1 1293 . 1 1 105 105 HIS N N 15 118.979 0.40 . 1 . . . . 613 HIS N . 15469 1 1294 . 1 1 105 105 HIS H H 1 7.656 0.02 . 1 . . . . 613 HIS H . 15469 1 1295 . 1 1 105 105 HIS CA C 13 55.416 0.40 . 1 . . . . 613 HIS CA . 15469 1 1296 . 1 1 105 105 HIS HA H 1 4.685 0.02 . 1 . . . . 613 HIS HA . 15469 1 1297 . 1 1 105 105 HIS CB C 13 29.043 0.40 . 1 . . . . 613 HIS CB . 15469 1 1298 . 1 1 105 105 HIS HB2 H 1 3.030 0.02 . 2 . . . . 613 HIS HB2 . 15469 1 1299 . 1 1 105 105 HIS HB3 H 1 2.218 0.02 . 2 . . . . 613 HIS HB3 . 15469 1 1300 . 1 1 105 105 HIS CD2 C 13 120.357 0.40 . 1 . . . . 613 HIS CD2 . 15469 1 1301 . 1 1 105 105 HIS HD2 H 1 6.940 0.02 . 1 . . . . 613 HIS HD2 . 15469 1 1302 . 1 1 105 105 HIS C C 13 175.555 0.40 . 1 . . . . 613 HIS C . 15469 1 1303 . 1 1 106 106 GLY N N 15 105.972 0.40 . 1 . . . . 614 GLY N . 15469 1 1304 . 1 1 106 106 GLY H H 1 7.657 0.02 . 1 . . . . 614 GLY H . 15469 1 1305 . 1 1 106 106 GLY CA C 13 45.084 0.40 . 1 . . . . 614 GLY CA . 15469 1 1306 . 1 1 106 106 GLY HA2 H 1 3.665 0.02 . 2 . . . . 614 GLY HA2 . 15469 1 1307 . 1 1 106 106 GLY HA3 H 1 4.095 0.02 . 2 . . . . 614 GLY HA3 . 15469 1 1308 . 1 1 106 106 GLY C C 13 173.839 0.40 . 1 . . . . 614 GLY C . 15469 1 1309 . 1 1 107 107 PHE N N 15 116.153 0.40 . 1 . . . . 615 PHE N . 15469 1 1310 . 1 1 107 107 PHE H H 1 6.717 0.02 . 1 . . . . 615 PHE H . 15469 1 1311 . 1 1 107 107 PHE CA C 13 53.542 0.40 . 1 . . . . 615 PHE CA . 15469 1 1312 . 1 1 107 107 PHE HA H 1 5.240 0.02 . 1 . . . . 615 PHE HA . 15469 1 1313 . 1 1 107 107 PHE CB C 13 38.518 0.40 . 1 . . . . 615 PHE CB . 15469 1 1314 . 1 1 107 107 PHE HB2 H 1 3.578 0.02 . 2 . . . . 615 PHE HB2 . 15469 1 1315 . 1 1 107 107 PHE HB3 H 1 3.016 0.02 . 2 . . . . 615 PHE HB3 . 15469 1 1316 . 1 1 107 107 PHE HD1 H 1 6.909 0.02 . 3 . . . . 615 PHE QD . 15469 1 1317 . 1 1 107 107 PHE HE1 H 1 7.371 0.02 . 3 . . . . 615 PHE QE . 15469 1 1318 . 1 1 107 107 PHE CD1 C 13 129.163 0.40 . 3 . . . . 615 PHE CD1 . 15469 1 1319 . 1 1 107 107 PHE CE1 C 13 131.889 0.40 . 3 . . . . 615 PHE CE1 . 15469 1 1320 . 1 1 107 107 PHE CZ C 13 129.276 0.40 . 1 . . . . 615 PHE CZ . 15469 1 1321 . 1 1 107 107 PHE HZ H 1 7.226 0.02 . 1 . . . . 615 PHE HZ . 15469 1 1322 . 1 1 107 107 PHE C C 13 178.565 0.40 . 1 . . . . 615 PHE C . 15469 1 1323 . 1 1 108 108 ASN N N 15 122.068 0.40 . 1 . . . . 616 ASN N . 15469 1 1324 . 1 1 108 108 ASN H H 1 9.144 0.02 . 1 . . . . 616 ASN H . 15469 1 1325 . 1 1 108 108 ASN CA C 13 51.039 0.40 . 1 . . . . 616 ASN CA . 15469 1 1326 . 1 1 108 108 ASN HA H 1 4.949 0.02 . 1 . . . . 616 ASN HA . 15469 1 1327 . 1 1 108 108 ASN CB C 13 37.594 0.40 . 1 . . . . 616 ASN CB . 15469 1 1328 . 1 1 108 108 ASN HB2 H 1 3.558 0.02 . 2 . . . . 616 ASN HB2 . 15469 1 1329 . 1 1 108 108 ASN HB3 H 1 3.021 0.02 . 2 . . . . 616 ASN HB3 . 15469 1 1330 . 1 1 108 108 ASN ND2 N 15 109.998 0.40 . 1 . . . . 616 ASN ND2 . 15469 1 1331 . 1 1 108 108 ASN HD21 H 1 7.304 0.02 . 2 . . . . 616 ASN HD21 . 15469 1 1332 . 1 1 108 108 ASN HD22 H 1 7.002 0.02 . 2 . . . . 616 ASN HD22 . 15469 1 1333 . 1 1 108 108 ASN C C 13 175.471 0.40 . 1 . . . . 616 ASN C . 15469 1 1334 . 1 1 109 109 LEU N N 15 119.139 0.40 . 1 . . . . 617 LEU N . 15469 1 1335 . 1 1 109 109 LEU H H 1 8.690 0.02 . 1 . . . . 617 LEU H . 15469 1 1336 . 1 1 109 109 LEU CA C 13 58.225 0.40 . 1 . . . . 617 LEU CA . 15469 1 1337 . 1 1 109 109 LEU HA H 1 3.831 0.02 . 1 . . . . 617 LEU HA . 15469 1 1338 . 1 1 109 109 LEU CB C 13 41.982 0.40 . 1 . . . . 617 LEU CB . 15469 1 1339 . 1 1 109 109 LEU HB2 H 1 1.889 0.02 . 2 . . . . 617 LEU HB2 . 15469 1 1340 . 1 1 109 109 LEU HB3 H 1 1.502 0.02 . 2 . . . . 617 LEU HB3 . 15469 1 1341 . 1 1 109 109 LEU CG C 13 26.679 0.40 . 1 . . . . 617 LEU CG . 15469 1 1342 . 1 1 109 109 LEU HG H 1 1.799 0.02 . 1 . . . . 617 LEU HG . 15469 1 1343 . 1 1 109 109 LEU HD11 H 1 0.871 0.02 . 2 . . . . 617 LEU QD1 . 15469 1 1344 . 1 1 109 109 LEU HD12 H 1 0.871 0.02 . 2 . . . . 617 LEU QD1 . 15469 1 1345 . 1 1 109 109 LEU HD13 H 1 0.871 0.02 . 2 . . . . 617 LEU QD1 . 15469 1 1346 . 1 1 109 109 LEU HD21 H 1 0.548 0.02 . 2 . . . . 617 LEU QD2 . 15469 1 1347 . 1 1 109 109 LEU HD22 H 1 0.548 0.02 . 2 . . . . 617 LEU QD2 . 15469 1 1348 . 1 1 109 109 LEU HD23 H 1 0.548 0.02 . 2 . . . . 617 LEU QD2 . 15469 1 1349 . 1 1 109 109 LEU CD1 C 13 24.517 0.40 . 2 . . . . 617 LEU CD1 . 15469 1 1350 . 1 1 109 109 LEU CD2 C 13 22.925 0.40 . 2 . . . . 617 LEU CD2 . 15469 1 1351 . 1 1 109 109 LEU C C 13 177.273 0.40 . 1 . . . . 617 LEU C . 15469 1 1352 . 1 1 110 110 GLU N N 15 120.123 0.40 . 1 . . . . 618 GLU- N . 15469 1 1353 . 1 1 110 110 GLU H H 1 7.733 0.02 . 1 . . . . 618 GLU- H . 15469 1 1354 . 1 1 110 110 GLU CA C 13 59.160 0.40 . 1 . . . . 618 GLU- CA . 15469 1 1355 . 1 1 110 110 GLU HA H 1 2.878 0.02 . 1 . . . . 618 GLU- HA . 15469 1 1356 . 1 1 110 110 GLU CB C 13 28.252 0.40 . 1 . . . . 618 GLU- CB . 15469 1 1357 . 1 1 110 110 GLU HB2 H 1 1.511 0.02 . 2 . . . . 618 GLU- HB2 . 15469 1 1358 . 1 1 110 110 GLU HB3 H 1 0.710 0.02 . 2 . . . . 618 GLU- HB3 . 15469 1 1359 . 1 1 110 110 GLU CG C 13 35.408 0.40 . 1 . . . . 618 GLU- CG . 15469 1 1360 . 1 1 110 110 GLU HG2 H 1 1.542 0.02 . 2 . . . . 618 GLU- HG2 . 15469 1 1361 . 1 1 110 110 GLU HG3 H 1 1.228 0.02 . 2 . . . . 618 GLU- HG3 . 15469 1 1362 . 1 1 110 110 GLU C C 13 178.297 0.40 . 1 . . . . 618 GLU- C . 15469 1 1363 . 1 1 111 111 GLU N N 15 118.870 0.40 . 1 . . . . 619 GLU- N . 15469 1 1364 . 1 1 111 111 GLU H H 1 8.497 0.02 . 1 . . . . 619 GLU- H . 15469 1 1365 . 1 1 111 111 GLU CA C 13 57.926 0.40 . 1 . . . . 619 GLU- CA . 15469 1 1366 . 1 1 111 111 GLU HA H 1 3.490 0.02 . 1 . . . . 619 GLU- HA . 15469 1 1367 . 1 1 111 111 GLU CB C 13 28.932 0.40 . 1 . . . . 619 GLU- CB . 15469 1 1368 . 1 1 111 111 GLU HB2 H 1 1.893 0.02 . 2 . . . . 619 GLU- HB2 . 15469 1 1369 . 1 1 111 111 GLU HB3 H 1 1.148 0.02 . 2 . . . . 619 GLU- HB3 . 15469 1 1370 . 1 1 111 111 GLU CG C 13 36.267 0.40 . 1 . . . . 619 GLU- CG . 15469 1 1371 . 1 1 111 111 GLU HG2 H 1 2.163 0.02 . 2 . . . . 619 GLU- HG2 . 15469 1 1372 . 1 1 111 111 GLU HG3 H 1 1.839 0.02 . 2 . . . . 619 GLU- HG3 . 15469 1 1373 . 1 1 111 111 GLU C C 13 179.594 0.40 . 1 . . . . 619 GLU- C . 15469 1 1374 . 1 1 112 112 ALA N N 15 120.981 0.40 . 1 . . . . 620 ALA N . 15469 1 1375 . 1 1 112 112 ALA H H 1 8.311 0.02 . 1 . . . . 620 ALA H . 15469 1 1376 . 1 1 112 112 ALA CA C 13 54.483 0.40 . 1 . . . . 620 ALA CA . 15469 1 1377 . 1 1 112 112 ALA HA H 1 4.205 0.02 . 1 . . . . 620 ALA HA . 15469 1 1378 . 1 1 112 112 ALA HB1 H 1 1.451 0.02 . 1 . . . . 620 ALA QB . 15469 1 1379 . 1 1 112 112 ALA HB2 H 1 1.451 0.02 . 1 . . . . 620 ALA QB . 15469 1 1380 . 1 1 112 112 ALA HB3 H 1 1.451 0.02 . 1 . . . . 620 ALA QB . 15469 1 1381 . 1 1 112 112 ALA CB C 13 18.568 0.40 . 1 . . . . 620 ALA CB . 15469 1 1382 . 1 1 112 112 ALA C C 13 178.908 0.40 . 1 . . . . 620 ALA C . 15469 1 1383 . 1 1 113 113 ALA N N 15 121.404 0.40 . 1 . . . . 621 ALA N . 15469 1 1384 . 1 1 113 113 ALA H H 1 8.551 0.02 . 1 . . . . 621 ALA H . 15469 1 1385 . 1 1 113 113 ALA CA C 13 54.782 0.40 . 1 . . . . 621 ALA CA . 15469 1 1386 . 1 1 113 113 ALA HA H 1 3.823 0.02 . 1 . . . . 621 ALA HA . 15469 1 1387 . 1 1 113 113 ALA HB1 H 1 1.052 0.02 . 1 . . . . 621 ALA QB . 15469 1 1388 . 1 1 113 113 ALA HB2 H 1 1.052 0.02 . 1 . . . . 621 ALA QB . 15469 1 1389 . 1 1 113 113 ALA HB3 H 1 1.052 0.02 . 1 . . . . 621 ALA QB . 15469 1 1390 . 1 1 113 113 ALA CB C 13 18.545 0.40 . 1 . . . . 621 ALA CB . 15469 1 1391 . 1 1 113 113 ALA C C 13 178.904 0.40 . 1 . . . . 621 ALA C . 15469 1 1392 . 1 1 114 114 ARG N N 15 114.449 0.40 . 1 . . . . 622 ARG+ N . 15469 1 1393 . 1 1 114 114 ARG H H 1 7.630 0.02 . 1 . . . . 622 ARG+ H . 15469 1 1394 . 1 1 114 114 ARG CA C 13 59.440 0.40 . 1 . . . . 622 ARG+ CA . 15469 1 1395 . 1 1 114 114 ARG HA H 1 3.627 0.02 . 1 . . . . 622 ARG+ HA . 15469 1 1396 . 1 1 114 114 ARG CB C 13 29.185 0.40 . 1 . . . . 622 ARG+ CB . 15469 1 1397 . 1 1 114 114 ARG HB2 H 1 1.908 0.02 . 2 . . . . 622 ARG+ HB2 . 15469 1 1398 . 1 1 114 114 ARG HB3 H 1 1.719 0.02 . 2 . . . . 622 ARG+ HB3 . 15469 1 1399 . 1 1 114 114 ARG CG C 13 27.596 0.40 . 1 . . . . 622 ARG+ CG . 15469 1 1400 . 1 1 114 114 ARG HG2 H 1 1.357 0.02 . 2 . . . . 622 ARG+ HG2 . 15469 1 1401 . 1 1 114 114 ARG HG3 H 1 1.596 0.02 . 2 . . . . 622 ARG+ HG3 . 15469 1 1402 . 1 1 114 114 ARG CD C 13 43.195 0.40 . 1 . . . . 622 ARG+ CD . 15469 1 1403 . 1 1 114 114 ARG HD2 H 1 3.041 0.02 . 2 . . . . 622 ARG+ HD2 . 15469 1 1404 . 1 1 114 114 ARG HD3 H 1 2.979 0.02 . 2 . . . . 622 ARG+ HD3 . 15469 1 1405 . 1 1 114 114 ARG C C 13 180.192 0.40 . 1 . . . . 622 ARG+ C . 15469 1 1406 . 1 1 115 115 CYS N N 15 118.396 0.40 . 1 . . . . 623 CYS N . 15469 1 1407 . 1 1 115 115 CYS H H 1 7.491 0.02 . 1 . . . . 623 CYS H . 15469 1 1408 . 1 1 115 115 CYS CA C 13 62.085 0.40 . 1 . . . . 623 CYS CA . 15469 1 1409 . 1 1 115 115 CYS HA H 1 4.075 0.02 . 1 . . . . 623 CYS HA . 15469 1 1410 . 1 1 115 115 CYS CB C 13 26.362 0.40 . 1 . . . . 623 CYS CB . 15469 1 1411 . 1 1 115 115 CYS HB2 H 1 2.961 0.02 . 2 . . . . 623 CYS HB2 . 15469 1 1412 . 1 1 115 115 CYS HB3 H 1 2.724 0.02 . 2 . . . . 623 CYS HB3 . 15469 1 1413 . 1 1 115 115 CYS C C 13 177.271 0.40 . 1 . . . . 623 CYS C . 15469 1 1414 . 1 1 116 116 MET N N 15 119.551 0.40 . 1 . . . . 624 MET N . 15469 1 1415 . 1 1 116 116 MET H H 1 8.363 0.02 . 1 . . . . 624 MET H . 15469 1 1416 . 1 1 116 116 MET CA C 13 55.717 0.40 . 1 . . . . 624 MET CA . 15469 1 1417 . 1 1 116 116 MET HA H 1 4.175 0.02 . 1 . . . . 624 MET HA . 15469 1 1418 . 1 1 116 116 MET CB C 13 30.139 0.40 . 1 . . . . 624 MET CB . 15469 1 1419 . 1 1 116 116 MET HB2 H 1 2.433 0.02 . 2 . . . . 624 MET QB . 15469 1 1420 . 1 1 116 116 MET CG C 13 32.936 0.40 . 1 . . . . 624 MET CG . 15469 1 1421 . 1 1 116 116 MET HG2 H 1 2.867 0.02 . 2 . . . . 624 MET QG . 15469 1 1422 . 1 1 116 116 MET HE1 H 1 1.888 0.02 . 1 . . . . 624 MET QE . 15469 1 1423 . 1 1 116 116 MET HE2 H 1 1.888 0.02 . 1 . . . . 624 MET QE . 15469 1 1424 . 1 1 116 116 MET HE3 H 1 1.888 0.02 . 1 . . . . 624 MET QE . 15469 1 1425 . 1 1 116 116 MET CE C 13 17.918 0.40 . 1 . . . . 624 MET CE . 15469 1 1426 . 1 1 116 116 MET C C 13 179.092 0.40 . 1 . . . . 624 MET C . 15469 1 1427 . 1 1 117 117 ARG N N 15 120.798 0.40 . 1 . . . . 625 ARG+ N . 15469 1 1428 . 1 1 117 117 ARG H H 1 7.520 0.02 . 1 . . . . 625 ARG+ H . 15469 1 1429 . 1 1 117 117 ARG CA C 13 58.493 0.40 . 1 . . . . 625 ARG+ CA . 15469 1 1430 . 1 1 117 117 ARG HA H 1 4.022 0.02 . 1 . . . . 625 ARG+ HA . 15469 1 1431 . 1 1 117 117 ARG CB C 13 30.393 0.40 . 1 . . . . 625 ARG+ CB . 15469 1 1432 . 1 1 117 117 ARG HB2 H 1 1.889 0.02 . 2 . . . . 625 ARG+ HB2 . 15469 1 1433 . 1 1 117 117 ARG HB3 H 1 1.789 0.02 . 2 . . . . 625 ARG+ HB3 . 15469 1 1434 . 1 1 117 117 ARG CG C 13 27.341 0.40 . 1 . . . . 625 ARG+ CG . 15469 1 1435 . 1 1 117 117 ARG HG2 H 1 1.991 0.02 . 2 . . . . 625 ARG+ HG2 . 15469 1 1436 . 1 1 117 117 ARG HG3 H 1 1.665 0.02 . 2 . . . . 625 ARG+ HG3 . 15469 1 1437 . 1 1 117 117 ARG CD C 13 43.847 0.40 . 1 . . . . 625 ARG+ CD . 15469 1 1438 . 1 1 117 117 ARG HD2 H 1 3.161 0.02 . 2 . . . . 625 ARG+ QD . 15469 1 1439 . 1 1 117 117 ARG C C 13 177.445 0.40 . 1 . . . . 625 ARG+ C . 15469 1 1440 . 1 1 118 118 SER N N 15 110.949 0.40 . 1 . . . . 626 SER N . 15469 1 1441 . 1 1 118 118 SER H H 1 7.628 0.02 . 1 . . . . 626 SER H . 15469 1 1442 . 1 1 118 118 SER CA C 13 58.841 0.40 . 1 . . . . 626 SER CA . 15469 1 1443 . 1 1 118 118 SER HA H 1 4.268 0.02 . 1 . . . . 626 SER HA . 15469 1 1444 . 1 1 118 118 SER CB C 13 63.543 0.40 . 1 . . . . 626 SER CB . 15469 1 1445 . 1 1 118 118 SER HB2 H 1 3.899 0.02 . 2 . . . . 626 SER QB . 15469 1 1446 . 1 1 118 118 SER C C 13 173.770 0.40 . 1 . . . . 626 SER C . 15469 1 1447 . 1 1 119 119 LEU N N 15 125.064 0.40 . 1 . . . . 627 LEU N . 15469 1 1448 . 1 1 119 119 LEU H H 1 7.605 0.02 . 1 . . . . 627 LEU H . 15469 1 1449 . 1 1 119 119 LEU CA C 13 54.775 0.40 . 1 . . . . 627 LEU CA . 15469 1 1450 . 1 1 119 119 LEU HA H 1 4.368 0.02 . 1 . . . . 627 LEU HA . 15469 1 1451 . 1 1 119 119 LEU CB C 13 42.014 0.40 . 1 . . . . 627 LEU CB . 15469 1 1452 . 1 1 119 119 LEU HB2 H 1 2.178 0.02 . 2 . . . . 627 LEU HB2 . 15469 1 1453 . 1 1 119 119 LEU HB3 H 1 1.162 0.02 . 2 . . . . 627 LEU HB3 . 15469 1 1454 . 1 1 119 119 LEU CG C 13 26.959 0.40 . 1 . . . . 627 LEU CG . 15469 1 1455 . 1 1 119 119 LEU HG H 1 1.525 0.02 . 1 . . . . 627 LEU HG . 15469 1 1456 . 1 1 119 119 LEU HD11 H 1 0.723 0.02 . 2 . . . . 627 LEU QD1 . 15469 1 1457 . 1 1 119 119 LEU HD12 H 1 0.723 0.02 . 2 . . . . 627 LEU QD1 . 15469 1 1458 . 1 1 119 119 LEU HD13 H 1 0.723 0.02 . 2 . . . . 627 LEU QD1 . 15469 1 1459 . 1 1 119 119 LEU HD21 H 1 0.832 0.02 . 2 . . . . 627 LEU QD2 . 15469 1 1460 . 1 1 119 119 LEU HD22 H 1 0.832 0.02 . 2 . . . . 627 LEU QD2 . 15469 1 1461 . 1 1 119 119 LEU HD23 H 1 0.832 0.02 . 2 . . . . 627 LEU QD2 . 15469 1 1462 . 1 1 119 119 LEU CD1 C 13 26.360 0.40 . 2 . . . . 627 LEU CD1 . 15469 1 1463 . 1 1 119 119 LEU CD2 C 13 23.860 0.40 . 2 . . . . 627 LEU CD2 . 15469 1 1464 . 1 1 119 119 LEU C C 13 175.899 0.40 . 1 . . . . 627 LEU C . 15469 1 1465 . 1 1 120 120 LYS N N 15 128.547 0.40 . 1 . . . . 628 LYS+ N . 15469 1 1466 . 1 1 120 120 LYS H H 1 9.699 0.02 . 1 . . . . 628 LYS+ H . 15469 1 1467 . 1 1 120 120 LYS CA C 13 54.778 0.40 . 1 . . . . 628 LYS+ CA . 15469 1 1468 . 1 1 120 120 LYS HA H 1 4.244 0.02 . 1 . . . . 628 LYS+ HA . 15469 1 1469 . 1 1 120 120 LYS CB C 13 33.227 0.40 . 1 . . . . 628 LYS+ CB . 15469 1 1470 . 1 1 120 120 LYS HB2 H 1 1.738 0.02 . 2 . . . . 628 LYS+ HB2 . 15469 1 1471 . 1 1 120 120 LYS HB3 H 1 1.440 0.02 . 2 . . . . 628 LYS+ HB3 . 15469 1 1472 . 1 1 120 120 LYS CG C 13 24.485 0.40 . 1 . . . . 628 LYS+ CG . 15469 1 1473 . 1 1 120 120 LYS HG2 H 1 1.236 0.02 . 2 . . . . 628 LYS+ HG2 . 15469 1 1474 . 1 1 120 120 LYS HG3 H 1 1.345 0.02 . 2 . . . . 628 LYS+ HG3 . 15469 1 1475 . 1 1 120 120 LYS CD C 13 28.247 0.40 . 1 . . . . 628 LYS+ CD . 15469 1 1476 . 1 1 120 120 LYS HD2 H 1 1.501 0.02 . 2 . . . . 628 LYS+ HD2 . 15469 1 1477 . 1 1 120 120 LYS HD3 H 1 1.481 0.02 . 2 . . . . 628 LYS+ HD3 . 15469 1 1478 . 1 1 120 120 LYS CE C 13 41.955 0.40 . 1 . . . . 628 LYS+ CE . 15469 1 1479 . 1 1 120 120 LYS HE2 H 1 2.858 0.02 . 2 . . . . 628 LYS+ QE . 15469 1 1480 . 1 1 120 120 LYS C C 13 176.933 0.40 . 1 . . . . 628 LYS+ C . 15469 1 1481 . 1 1 121 121 ALA N N 15 123.991 0.40 . 1 . . . . 629 ALA N . 15469 1 1482 . 1 1 121 121 ALA H H 1 6.580 0.02 . 1 . . . . 629 ALA H . 15469 1 1483 . 1 1 121 121 ALA CA C 13 49.798 0.40 . 1 . . . . 629 ALA CA . 15469 1 1484 . 1 1 121 121 ALA HA H 1 4.412 0.02 . 1 . . . . 629 ALA HA . 15469 1 1485 . 1 1 121 121 ALA HB1 H 1 1.143 0.02 . 1 . . . . 629 ALA QB . 15469 1 1486 . 1 1 121 121 ALA HB2 H 1 1.143 0.02 . 1 . . . . 629 ALA QB . 15469 1 1487 . 1 1 121 121 ALA HB3 H 1 1.143 0.02 . 1 . . . . 629 ALA QB . 15469 1 1488 . 1 1 121 121 ALA CB C 13 16.984 0.40 . 1 . . . . 629 ALA CB . 15469 1 1489 . 1 1 122 122 PRO CD C 13 49.471 0.40 . 1 . . . . 630 PRO CD . 15469 1 1490 . 1 1 122 122 PRO CA C 13 62.597 0.40 . 1 . . . . 630 PRO CA . 15469 1 1491 . 1 1 122 122 PRO HA H 1 4.210 0.02 . 1 . . . . 630 PRO HA . 15469 1 1492 . 1 1 122 122 PRO CB C 13 31.623 0.40 . 1 . . . . 630 PRO CB . 15469 1 1493 . 1 1 122 122 PRO HB2 H 1 2.223 0.02 . 2 . . . . 630 PRO HB2 . 15469 1 1494 . 1 1 122 122 PRO HB3 H 1 1.737 0.02 . 2 . . . . 630 PRO HB3 . 15469 1 1495 . 1 1 122 122 PRO CG C 13 27.889 0.40 . 1 . . . . 630 PRO CG . 15469 1 1496 . 1 1 122 122 PRO HG2 H 1 1.925 0.02 . 2 . . . . 630 PRO QG . 15469 1 1497 . 1 1 122 122 PRO HD2 H 1 3.689 0.02 . 2 . . . . 630 PRO HD2 . 15469 1 1498 . 1 1 122 122 PRO HD3 H 1 3.020 0.02 . 2 . . . . 630 PRO HD3 . 15469 1 1499 . 1 1 122 122 PRO C C 13 176.133 0.40 . 1 . . . . 630 PRO C . 15469 1 1500 . 1 1 123 123 ALA N N 15 122.590 0.40 . 1 . . . . 631 ALA N . 15469 1 1501 . 1 1 123 123 ALA H H 1 7.938 0.02 . 1 . . . . 631 ALA H . 15469 1 1502 . 1 1 123 123 ALA CA C 13 50.739 0.40 . 1 . . . . 631 ALA CA . 15469 1 1503 . 1 1 123 123 ALA HA H 1 5.096 0.02 . 1 . . . . 631 ALA HA . 15469 1 1504 . 1 1 123 123 ALA HB1 H 1 0.960 0.02 . 1 . . . . 631 ALA QB . 15469 1 1505 . 1 1 123 123 ALA HB2 H 1 0.960 0.02 . 1 . . . . 631 ALA QB . 15469 1 1506 . 1 1 123 123 ALA HB3 H 1 0.960 0.02 . 1 . . . . 631 ALA QB . 15469 1 1507 . 1 1 123 123 ALA CB C 13 22.265 0.40 . 1 . . . . 631 ALA CB . 15469 1 1508 . 1 1 123 123 ALA C C 13 176.761 0.40 . 1 . . . . 631 ALA C . 15469 1 1509 . 1 1 124 124 VAL N N 15 125.660 0.40 . 1 . . . . 632 VAL N . 15469 1 1510 . 1 1 124 124 VAL H H 1 8.144 0.02 . 1 . . . . 632 VAL H . 15469 1 1511 . 1 1 124 124 VAL CA C 13 61.349 0.40 . 1 . . . . 632 VAL CA . 15469 1 1512 . 1 1 124 124 VAL HA H 1 4.269 0.02 . 1 . . . . 632 VAL HA . 15469 1 1513 . 1 1 124 124 VAL CB C 13 32.919 0.40 . 1 . . . . 632 VAL CB . 15469 1 1514 . 1 1 124 124 VAL HB H 1 1.722 0.02 . 1 . . . . 632 VAL HB . 15469 1 1515 . 1 1 124 124 VAL HG11 H 1 0.717 0.02 . 2 . . . . 632 VAL QG1 . 15469 1 1516 . 1 1 124 124 VAL HG12 H 1 0.717 0.02 . 2 . . . . 632 VAL QG1 . 15469 1 1517 . 1 1 124 124 VAL HG13 H 1 0.717 0.02 . 2 . . . . 632 VAL QG1 . 15469 1 1518 . 1 1 124 124 VAL HG21 H 1 0.277 0.02 . 2 . . . . 632 VAL QG2 . 15469 1 1519 . 1 1 124 124 VAL HG22 H 1 0.277 0.02 . 2 . . . . 632 VAL QG2 . 15469 1 1520 . 1 1 124 124 VAL HG23 H 1 0.277 0.02 . 2 . . . . 632 VAL QG2 . 15469 1 1521 . 1 1 124 124 VAL CG1 C 13 21.955 0.40 . 2 . . . . 632 VAL CG1 . 15469 1 1522 . 1 1 124 124 VAL CG2 C 13 21.358 0.40 . 2 . . . . 632 VAL CG2 . 15469 1 1523 . 1 1 124 124 VAL C C 13 174.068 0.40 . 1 . . . . 632 VAL C . 15469 1 1524 . 1 1 125 125 VAL N N 15 128.256 0.40 . 1 . . . . 633 VAL N . 15469 1 1525 . 1 1 125 125 VAL H H 1 8.141 0.02 . 1 . . . . 633 VAL H . 15469 1 1526 . 1 1 125 125 VAL CA C 13 59.470 0.40 . 1 . . . . 633 VAL CA . 15469 1 1527 . 1 1 125 125 VAL HA H 1 4.731 0.02 . 1 . . . . 633 VAL HA . 15469 1 1528 . 1 1 125 125 VAL CB C 13 32.916 0.40 . 1 . . . . 633 VAL CB . 15469 1 1529 . 1 1 125 125 VAL HB H 1 1.658 0.02 . 1 . . . . 633 VAL HB . 15469 1 1530 . 1 1 125 125 VAL HG11 H 1 0.560 0.02 . 2 . . . . 633 VAL QG1 . 15469 1 1531 . 1 1 125 125 VAL HG12 H 1 0.560 0.02 . 2 . . . . 633 VAL QG1 . 15469 1 1532 . 1 1 125 125 VAL HG13 H 1 0.560 0.02 . 2 . . . . 633 VAL QG1 . 15469 1 1533 . 1 1 125 125 VAL HG21 H 1 0.330 0.02 . 2 . . . . 633 VAL QG2 . 15469 1 1534 . 1 1 125 125 VAL HG22 H 1 0.330 0.02 . 2 . . . . 633 VAL QG2 . 15469 1 1535 . 1 1 125 125 VAL HG23 H 1 0.330 0.02 . 2 . . . . 633 VAL QG2 . 15469 1 1536 . 1 1 125 125 VAL CG1 C 13 21.149 0.40 . 2 . . . . 633 VAL CG1 . 15469 1 1537 . 1 1 125 125 VAL CG2 C 13 19.900 0.40 . 2 . . . . 633 VAL CG2 . 15469 1 1538 . 1 1 125 125 VAL C C 13 174.341 0.40 . 1 . . . . 633 VAL C . 15469 1 1539 . 1 1 126 126 SER N N 15 118.968 0.40 . 1 . . . . 634 SER N . 15469 1 1540 . 1 1 126 126 SER H H 1 8.578 0.02 . 1 . . . . 634 SER H . 15469 1 1541 . 1 1 126 126 SER CA C 13 53.866 0.40 . 1 . . . . 634 SER CA . 15469 1 1542 . 1 1 126 126 SER HA H 1 4.909 0.02 . 1 . . . . 634 SER HA . 15469 1 1543 . 1 1 126 126 SER CB C 13 64.457 0.40 . 1 . . . . 634 SER CB . 15469 1 1544 . 1 1 126 126 SER HB2 H 1 3.802 0.02 . 2 . . . . 634 SER HB2 . 15469 1 1545 . 1 1 126 126 SER HB3 H 1 2.966 0.02 . 2 . . . . 634 SER HB3 . 15469 1 1546 . 1 1 126 126 SER C C 13 175.601 0.40 . 1 . . . . 634 SER C . 15469 1 1547 . 1 1 127 127 VAL N N 15 118.862 0.40 . 1 . . . . 635 VAL N . 15469 1 1548 . 1 1 127 127 VAL H H 1 8.517 0.02 . 1 . . . . 635 VAL H . 15469 1 1549 . 1 1 127 127 VAL CA C 13 59.179 0.40 . 1 . . . . 635 VAL CA . 15469 1 1550 . 1 1 127 127 VAL HA H 1 4.509 0.02 . 1 . . . . 635 VAL HA . 15469 1 1551 . 1 1 127 127 VAL CB C 13 32.604 0.40 . 1 . . . . 635 VAL CB . 15469 1 1552 . 1 1 127 127 VAL HB H 1 2.056 0.02 . 1 . . . . 635 VAL HB . 15469 1 1553 . 1 1 127 127 VAL HG11 H 1 0.476 0.02 . 2 . . . . 635 VAL QG1 . 15469 1 1554 . 1 1 127 127 VAL HG12 H 1 0.476 0.02 . 2 . . . . 635 VAL QG1 . 15469 1 1555 . 1 1 127 127 VAL HG13 H 1 0.476 0.02 . 2 . . . . 635 VAL QG1 . 15469 1 1556 . 1 1 127 127 VAL HG21 H 1 0.196 0.02 . 2 . . . . 635 VAL QG2 . 15469 1 1557 . 1 1 127 127 VAL HG22 H 1 0.196 0.02 . 2 . . . . 635 VAL QG2 . 15469 1 1558 . 1 1 127 127 VAL HG23 H 1 0.196 0.02 . 2 . . . . 635 VAL QG2 . 15469 1 1559 . 1 1 127 127 VAL CG1 C 13 19.200 0.40 . 2 . . . . 635 VAL CG1 . 15469 1 1560 . 1 1 127 127 VAL CG2 C 13 21.280 0.40 . 2 . . . . 635 VAL CG2 . 15469 1 1561 . 1 1 127 127 VAL C C 13 178.483 0.40 . 1 . . . . 635 VAL C . 15469 1 1562 . 1 1 128 128 SER N N 15 112.596 0.40 . 1 . . . . 636 SER N . 15469 1 1563 . 1 1 128 128 SER H H 1 8.239 0.02 . 1 . . . . 636 SER H . 15469 1 1564 . 1 1 128 128 SER CA C 13 61.398 0.40 . 1 . . . . 636 SER CA . 15469 1 1565 . 1 1 128 128 SER HA H 1 3.907 0.02 . 1 . . . . 636 SER HA . 15469 1 1566 . 1 1 128 128 SER CB C 13 63.546 0.40 . 1 . . . . 636 SER CB . 15469 1 1567 . 1 1 128 128 SER HB2 H 1 3.885 0.02 . 2 . . . . 636 SER QB . 15469 1 1568 . 1 1 128 128 SER C C 13 173.581 0.40 . 1 . . . . 636 SER C . 15469 1 1569 . 1 1 129 129 SER N N 15 114.540 0.40 . 1 . . . . 637 SER N . 15469 1 1570 . 1 1 129 129 SER H H 1 7.247 0.02 . 1 . . . . 637 SER H . 15469 1 1571 . 1 1 129 129 SER CA C 13 55.420 0.40 . 1 . . . . 637 SER CA . 15469 1 1572 . 1 1 129 129 SER HA H 1 4.943 0.02 . 1 . . . . 637 SER HA . 15469 1 1573 . 1 1 129 129 SER CB C 13 63.848 0.40 . 1 . . . . 637 SER CB . 15469 1 1574 . 1 1 129 129 SER HB2 H 1 4.068 0.02 . 2 . . . . 637 SER HB2 . 15469 1 1575 . 1 1 129 129 SER HB3 H 1 3.769 0.02 . 2 . . . . 637 SER HB3 . 15469 1 1576 . 1 1 130 130 PRO CD C 13 50.419 0.40 . 1 . . . . 638 PRO CD . 15469 1 1577 . 1 1 130 130 PRO CA C 13 64.776 0.40 . 1 . . . . 638 PRO CA . 15469 1 1578 . 1 1 130 130 PRO HA H 1 4.182 0.02 . 1 . . . . 638 PRO HA . 15469 1 1579 . 1 1 130 130 PRO CB C 13 31.966 0.40 . 1 . . . . 638 PRO CB . 15469 1 1580 . 1 1 130 130 PRO HB2 H 1 2.383 0.02 . 2 . . . . 638 PRO HB2 . 15469 1 1581 . 1 1 130 130 PRO HB3 H 1 1.960 0.02 . 2 . . . . 638 PRO HB3 . 15469 1 1582 . 1 1 130 130 PRO CG C 13 27.611 0.40 . 1 . . . . 638 PRO CG . 15469 1 1583 . 1 1 130 130 PRO HG2 H 1 2.131 0.02 . 2 . . . . 638 PRO HG2 . 15469 1 1584 . 1 1 130 130 PRO HG3 H 1 2.017 0.02 . 2 . . . . 638 PRO HG3 . 15469 1 1585 . 1 1 130 130 PRO HD2 H 1 3.878 0.02 . 2 . . . . 638 PRO HD2 . 15469 1 1586 . 1 1 130 130 PRO HD3 H 1 3.824 0.02 . 2 . . . . 638 PRO HD3 . 15469 1 1587 . 1 1 130 130 PRO C C 13 179.248 0.40 . 1 . . . . 638 PRO C . 15469 1 1588 . 1 1 131 131 ASP N N 15 116.165 0.40 . 1 . . . . 639 ASP- N . 15469 1 1589 . 1 1 131 131 ASP H H 1 8.189 0.02 . 1 . . . . 639 ASP- H . 15469 1 1590 . 1 1 131 131 ASP CA C 13 55.712 0.40 . 1 . . . . 639 ASP- CA . 15469 1 1591 . 1 1 131 131 ASP HA H 1 4.354 0.02 . 1 . . . . 639 ASP- HA . 15469 1 1592 . 1 1 131 131 ASP CB C 13 40.085 0.40 . 1 . . . . 639 ASP- CB . 15469 1 1593 . 1 1 131 131 ASP HB2 H 1 2.595 0.02 . 2 . . . . 639 ASP- HB2 . 15469 1 1594 . 1 1 131 131 ASP HB3 H 1 2.505 0.02 . 2 . . . . 639 ASP- HB3 . 15469 1 1595 . 1 1 131 131 ASP C C 13 176.995 0.40 . 1 . . . . 639 ASP- C . 15469 1 1596 . 1 1 132 132 ALA N N 15 120.981 0.40 . 1 . . . . 640 ALA N . 15469 1 1597 . 1 1 132 132 ALA H H 1 7.597 0.02 . 1 . . . . 640 ALA H . 15469 1 1598 . 1 1 132 132 ALA CA C 13 52.604 0.40 . 1 . . . . 640 ALA CA . 15469 1 1599 . 1 1 132 132 ALA HA H 1 4.221 0.02 . 1 . . . . 640 ALA HA . 15469 1 1600 . 1 1 132 132 ALA HB1 H 1 1.355 0.02 . 1 . . . . 640 ALA QB . 15469 1 1601 . 1 1 132 132 ALA HB2 H 1 1.355 0.02 . 1 . . . . 640 ALA QB . 15469 1 1602 . 1 1 132 132 ALA HB3 H 1 1.355 0.02 . 1 . . . . 640 ALA QB . 15469 1 1603 . 1 1 132 132 ALA CB C 13 18.228 0.40 . 1 . . . . 640 ALA CB . 15469 1 1604 . 1 1 132 132 ALA C C 13 177.959 0.40 . 1 . . . . 640 ALA C . 15469 1 1605 . 1 1 133 133 VAL N N 15 120.764 0.40 . 1 . . . . 641 VAL N . 15469 1 1606 . 1 1 133 133 VAL H H 1 7.273 0.02 . 1 . . . . 641 VAL H . 15469 1 1607 . 1 1 133 133 VAL CA C 13 66.394 0.40 . 1 . . . . 641 VAL CA . 15469 1 1608 . 1 1 133 133 VAL HA H 1 3.217 0.02 . 1 . . . . 641 VAL HA . 15469 1 1609 . 1 1 133 133 VAL CB C 13 31.363 0.40 . 1 . . . . 641 VAL CB . 15469 1 1610 . 1 1 133 133 VAL HB H 1 2.119 0.02 . 1 . . . . 641 VAL HB . 15469 1 1611 . 1 1 133 133 VAL HG11 H 1 0.654 0.02 . 2 . . . . 641 VAL QG1 . 15469 1 1612 . 1 1 133 133 VAL HG12 H 1 0.654 0.02 . 2 . . . . 641 VAL QG1 . 15469 1 1613 . 1 1 133 133 VAL HG13 H 1 0.654 0.02 . 2 . . . . 641 VAL QG1 . 15469 1 1614 . 1 1 133 133 VAL HG21 H 1 0.674 0.02 . 2 . . . . 641 VAL QG2 . 15469 1 1615 . 1 1 133 133 VAL HG22 H 1 0.674 0.02 . 2 . . . . 641 VAL QG2 . 15469 1 1616 . 1 1 133 133 VAL HG23 H 1 0.674 0.02 . 2 . . . . 641 VAL QG2 . 15469 1 1617 . 1 1 133 133 VAL CG1 C 13 20.746 0.40 . 2 . . . . 641 VAL CG1 . 15469 1 1618 . 1 1 133 133 VAL CG2 C 13 22.300 0.40 . 2 . . . . 641 VAL CG2 . 15469 1 1619 . 1 1 133 133 VAL C C 13 177.049 0.40 . 1 . . . . 641 VAL C . 15469 1 1620 . 1 1 134 134 THR N N 15 112.653 0.40 . 1 . . . . 642 THR N . 15469 1 1621 . 1 1 134 134 THR H H 1 7.489 0.02 . 1 . . . . 642 THR H . 15469 1 1622 . 1 1 134 134 THR CA C 13 65.103 0.40 . 1 . . . . 642 THR CA . 15469 1 1623 . 1 1 134 134 THR HA H 1 3.840 0.02 . 1 . . . . 642 THR HA . 15469 1 1624 . 1 1 134 134 THR CB C 13 67.683 0.40 . 1 . . . . 642 THR CB . 15469 1 1625 . 1 1 134 134 THR HB H 1 4.088 0.02 . 1 . . . . 642 THR HB . 15469 1 1626 . 1 1 134 134 THR HG21 H 1 1.126 0.02 . 1 . . . . 642 THR QG2 . 15469 1 1627 . 1 1 134 134 THR HG22 H 1 1.126 0.02 . 1 . . . . 642 THR QG2 . 15469 1 1628 . 1 1 134 134 THR HG23 H 1 1.126 0.02 . 1 . . . . 642 THR QG2 . 15469 1 1629 . 1 1 134 134 THR CG2 C 13 21.327 0.40 . 1 . . . . 642 THR CG2 . 15469 1 1630 . 1 1 134 134 THR C C 13 177.619 0.40 . 1 . . . . 642 THR C . 15469 1 1631 . 1 1 135 135 THR N N 15 119.151 0.40 . 1 . . . . 643 THR N . 15469 1 1632 . 1 1 135 135 THR H H 1 7.329 0.02 . 1 . . . . 643 THR H . 15469 1 1633 . 1 1 135 135 THR CA C 13 65.097 0.40 . 1 . . . . 643 THR CA . 15469 1 1634 . 1 1 135 135 THR HA H 1 3.470 0.02 . 1 . . . . 643 THR HA . 15469 1 1635 . 1 1 135 135 THR CB C 13 67.916 0.40 . 1 . . . . 643 THR CB . 15469 1 1636 . 1 1 135 135 THR HB H 1 3.797 0.02 . 1 . . . . 643 THR HB . 15469 1 1637 . 1 1 135 135 THR HG21 H 1 0.963 0.02 . 1 . . . . 643 THR QG2 . 15469 1 1638 . 1 1 135 135 THR HG22 H 1 0.963 0.02 . 1 . . . . 643 THR QG2 . 15469 1 1639 . 1 1 135 135 THR HG23 H 1 0.963 0.02 . 1 . . . . 643 THR QG2 . 15469 1 1640 . 1 1 135 135 THR CG2 C 13 22.306 0.40 . 1 . . . . 643 THR CG2 . 15469 1 1641 . 1 1 135 135 THR C C 13 175.382 0.40 . 1 . . . . 643 THR C . 15469 1 1642 . 1 1 136 136 TYR N N 15 122.838 0.40 . 1 . . . . 644 TYR N . 15469 1 1643 . 1 1 136 136 TYR H H 1 8.772 0.02 . 1 . . . . 644 TYR H . 15469 1 1644 . 1 1 136 136 TYR CA C 13 62.080 0.40 . 1 . . . . 644 TYR CA . 15469 1 1645 . 1 1 136 136 TYR HA H 1 3.771 0.02 . 1 . . . . 644 TYR HA . 15469 1 1646 . 1 1 136 136 TYR CB C 13 39.160 0.40 . 1 . . . . 644 TYR CB . 15469 1 1647 . 1 1 136 136 TYR HB2 H 1 2.972 0.02 . 2 . . . . 644 TYR HB2 . 15469 1 1648 . 1 1 136 136 TYR HB3 H 1 2.876 0.02 . 2 . . . . 644 TYR HB3 . 15469 1 1649 . 1 1 136 136 TYR HD1 H 1 6.870 0.02 . 3 . . . . 644 TYR QD . 15469 1 1650 . 1 1 136 136 TYR HE1 H 1 6.399 0.02 . 3 . . . . 644 TYR QE . 15469 1 1651 . 1 1 136 136 TYR CD1 C 13 133.116 0.40 . 3 . . . . 644 TYR CD1 . 15469 1 1652 . 1 1 136 136 TYR CE1 C 13 117.218 0.40 . 3 . . . . 644 TYR CE1 . 15469 1 1653 . 1 1 136 136 TYR C C 13 176.594 0.40 . 1 . . . . 644 TYR C . 15469 1 1654 . 1 1 137 137 ASN N N 15 116.474 0.40 . 1 . . . . 645 ASN N . 15469 1 1655 . 1 1 137 137 ASN H H 1 8.314 0.02 . 1 . . . . 645 ASN H . 15469 1 1656 . 1 1 137 137 ASN CA C 13 54.776 0.40 . 1 . . . . 645 ASN CA . 15469 1 1657 . 1 1 137 137 ASN HA H 1 4.320 0.02 . 1 . . . . 645 ASN HA . 15469 1 1658 . 1 1 137 137 ASN CB C 13 36.964 0.40 . 1 . . . . 645 ASN CB . 15469 1 1659 . 1 1 137 137 ASN HB2 H 1 2.773 0.02 . 2 . . . . 645 ASN HB2 . 15469 1 1660 . 1 1 137 137 ASN HB3 H 1 2.653 0.02 . 2 . . . . 645 ASN HB3 . 15469 1 1661 . 1 1 137 137 ASN ND2 N 15 110.240 0.40 . 1 . . . . 645 ASN ND2 . 15469 1 1662 . 1 1 137 137 ASN HD21 H 1 7.485 0.02 . 2 . . . . 645 ASN HD21 . 15469 1 1663 . 1 1 137 137 ASN HD22 H 1 6.828 0.02 . 2 . . . . 645 ASN HD22 . 15469 1 1664 . 1 1 137 137 ASN C C 13 178.995 0.40 . 1 . . . . 645 ASN C . 15469 1 1665 . 1 1 138 138 GLY N N 15 108.260 0.40 . 1 . . . . 646 GLY N . 15469 1 1666 . 1 1 138 138 GLY H H 1 7.764 0.02 . 1 . . . . 646 GLY H . 15469 1 1667 . 1 1 138 138 GLY CA C 13 46.357 0.40 . 1 . . . . 646 GLY CA . 15469 1 1668 . 1 1 138 138 GLY HA2 H 1 3.636 0.02 . 2 . . . . 646 GLY HA2 . 15469 1 1669 . 1 1 138 138 GLY HA3 H 1 3.702 0.02 . 2 . . . . 646 GLY HA3 . 15469 1 1670 . 1 1 138 138 GLY C C 13 176.159 0.40 . 1 . . . . 646 GLY C . 15469 1 1671 . 1 1 139 139 TYR N N 15 120.706 0.40 . 1 . . . . 647 TYR N . 15469 1 1672 . 1 1 139 139 TYR H H 1 7.408 0.02 . 1 . . . . 647 TYR H . 15469 1 1673 . 1 1 139 139 TYR CA C 13 56.981 0.40 . 1 . . . . 647 TYR CA . 15469 1 1674 . 1 1 139 139 TYR HA H 1 4.610 0.02 . 1 . . . . 647 TYR HA . 15469 1 1675 . 1 1 139 139 TYR CB C 13 37.588 0.40 . 1 . . . . 647 TYR CB . 15469 1 1676 . 1 1 139 139 TYR HB2 H 1 2.977 0.02 . 2 . . . . 647 TYR HB2 . 15469 1 1677 . 1 1 139 139 TYR HB3 H 1 2.730 0.02 . 2 . . . . 647 TYR HB3 . 15469 1 1678 . 1 1 139 139 TYR HD1 H 1 6.794 0.02 . 3 . . . . 647 TYR QD . 15469 1 1679 . 1 1 139 139 TYR HE1 H 1 6.544 0.02 . 3 . . . . 647 TYR QE . 15469 1 1680 . 1 1 139 139 TYR CD1 C 13 131.773 0.40 . 3 . . . . 647 TYR CD1 . 15469 1 1681 . 1 1 139 139 TYR CE1 C 13 118.163 0.40 . 3 . . . . 647 TYR CE1 . 15469 1 1682 . 1 1 139 139 TYR C C 13 178.545 0.40 . 1 . . . . 647 TYR C . 15469 1 1683 . 1 1 140 140 LEU N N 15 119.227 0.40 . 1 . . . . 648 LEU N . 15469 1 1684 . 1 1 140 140 LEU H H 1 7.877 0.02 . 1 . . . . 648 LEU H . 15469 1 1685 . 1 1 140 140 LEU CA C 13 56.660 0.40 . 1 . . . . 648 LEU CA . 15469 1 1686 . 1 1 140 140 LEU HA H 1 3.771 0.02 . 1 . . . . 648 LEU HA . 15469 1 1687 . 1 1 140 140 LEU CB C 13 42.295 0.40 . 1 . . . . 648 LEU CB . 15469 1 1688 . 1 1 140 140 LEU HB2 H 1 1.527 0.02 . 2 . . . . 648 LEU HB2 . 15469 1 1689 . 1 1 140 140 LEU HB3 H 1 1.502 0.02 . 2 . . . . 648 LEU HB3 . 15469 1 1690 . 1 1 140 140 LEU CG C 13 26.041 0.40 . 1 . . . . 648 LEU CG . 15469 1 1691 . 1 1 140 140 LEU HG H 1 1.386 0.02 . 1 . . . . 648 LEU HG . 15469 1 1692 . 1 1 140 140 LEU HD11 H 1 0.780 0.02 . 2 . . . . 648 LEU QD1 . 15469 1 1693 . 1 1 140 140 LEU HD12 H 1 0.780 0.02 . 2 . . . . 648 LEU QD1 . 15469 1 1694 . 1 1 140 140 LEU HD13 H 1 0.780 0.02 . 2 . . . . 648 LEU QD1 . 15469 1 1695 . 1 1 140 140 LEU HD21 H 1 0.655 0.02 . 2 . . . . 648 LEU QD2 . 15469 1 1696 . 1 1 140 140 LEU HD22 H 1 0.655 0.02 . 2 . . . . 648 LEU QD2 . 15469 1 1697 . 1 1 140 140 LEU HD23 H 1 0.655 0.02 . 2 . . . . 648 LEU QD2 . 15469 1 1698 . 1 1 140 140 LEU CD1 C 13 24.803 0.40 . 2 . . . . 648 LEU CD1 . 15469 1 1699 . 1 1 140 140 LEU CD2 C 13 23.382 0.40 . 2 . . . . 648 LEU CD2 . 15469 1 1700 . 1 1 140 140 LEU C C 13 178.651 0.40 . 1 . . . . 648 LEU C . 15469 1 1701 . 1 1 141 141 THR N N 15 108.100 0.40 . 1 . . . . 649 THR N . 15469 1 1702 . 1 1 141 141 THR H H 1 7.462 0.02 . 1 . . . . 649 THR H . 15469 1 1703 . 1 1 141 141 THR CA C 13 61.637 0.40 . 1 . . . . 649 THR CA . 15469 1 1704 . 1 1 141 141 THR HA H 1 4.235 0.02 . 1 . . . . 649 THR HA . 15469 1 1705 . 1 1 141 141 THR CB C 13 69.159 0.40 . 1 . . . . 649 THR CB . 15469 1 1706 . 1 1 141 141 THR HB H 1 4.292 0.02 . 1 . . . . 649 THR HB . 15469 1 1707 . 1 1 141 141 THR HG21 H 1 1.137 0.02 . 1 . . . . 649 THR QG2 . 15469 1 1708 . 1 1 141 141 THR HG22 H 1 1.137 0.02 . 1 . . . . 649 THR QG2 . 15469 1 1709 . 1 1 141 141 THR HG23 H 1 1.137 0.02 . 1 . . . . 649 THR QG2 . 15469 1 1710 . 1 1 141 141 THR CG2 C 13 21.340 0.40 . 1 . . . . 649 THR CG2 . 15469 1 1711 . 1 1 141 141 THR C C 13 174.869 0.40 . 1 . . . . 649 THR C . 15469 1 1712 . 1 1 142 142 SER N N 15 117.559 0.40 . 1 . . . . 650 SER N . 15469 1 1713 . 1 1 142 142 SER H H 1 7.654 0.02 . 1 . . . . 650 SER H . 15469 1 1714 . 1 1 142 142 SER CA C 13 58.239 0.40 . 1 . . . . 650 SER CA . 15469 1 1715 . 1 1 142 142 SER HA H 1 4.436 0.02 . 1 . . . . 650 SER HA . 15469 1 1716 . 1 1 142 142 SER CB C 13 63.542 0.40 . 1 . . . . 650 SER CB . 15469 1 1717 . 1 1 142 142 SER HB2 H 1 3.899 0.02 . 2 . . . . 650 SER HB2 . 15469 1 1718 . 1 1 142 142 SER HB3 H 1 3.871 0.02 . 2 . . . . 650 SER HB3 . 15469 1 1719 . 1 1 142 142 SER C C 13 173.754 0.40 . 1 . . . . 650 SER C . 15469 1 1720 . 1 1 143 143 SER N N 15 123.103 0.40 . 1 . . . . 651 SER N . 15469 1 1721 . 1 1 143 143 SER H H 1 7.980 0.02 . 1 . . . . 651 SER H . 15469 1 1722 . 1 1 143 143 SER CA C 13 60.438 0.40 . 1 . . . . 651 SER CA . 15469 1 1723 . 1 1 143 143 SER HA H 1 4.181 0.02 . 1 . . . . 651 SER HA . 15469 1 1724 . 1 1 143 143 SER CB C 13 64.161 0.40 . 1 . . . . 651 SER CB . 15469 1 1725 . 1 1 143 143 SER HB2 H 1 3.766 0.02 . 2 . . . . 651 SER QB . 15469 1 stop_ save_