data_26577 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26577 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Light-adapted Cyanobacteriochrome NpR6012g4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-11 _Entry.Accession_date 2015-05-11 _Entry.Last_release_date 2015-12-18 _Entry.Original_release_date 2015-12-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sunghyuk Lim . . . . 26577 2 Nathan Rockwell . C. . . 26577 3 Shelley Martin . S. . . 26577 4 'J. Clark' Lagarias . . . . 26577 5 James Ames . B. . . 26577 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26577 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 643 26577 '15N chemical shifts' 167 26577 '1H chemical shifts' 1068 26577 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 . . 2018-01-19 2015-05-11 update author 'update assignment' 26577 2 . . 2016-07-12 2015-05-11 update BMRB 'update entry citation' 26577 1 . . 2015-12-18 2015-05-11 original author 'original release' 26577 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26582 'Dark-state Cyanobacteriochrome (NpR6012g4)' 26577 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26577 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26537963 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N chemical shift assignments of cyanobacteriochrome NpR6012g4 in the green-absorbing photoproduct state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 157 _Citation.Page_last 161 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sunghyuk Lim . . . . 26577 1 2 Nathan Rockwell . C. . . 26577 1 3 Shelley Martin . S. . . 26577 1 4 'J. Clark' Lagarias . . . . 26577 1 5 James Ames . B. . . 26577 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CBCRs 26577 1 NMR 26577 1 PCB 26577 1 cyanobacteriochromes 26577 1 photoreceptors 26577 1 phycocyanobilin 26577 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26577 _Assembly.ID 1 _Assembly.Name 'Cyanobacteriochrome GAF6012g4' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Phycocyanobilin-attached Cyanobacteriochrome NpR6012g4' _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 'Cyanobacteriochrome NpR6012g4' 1 $Cyanobacteriochrome_NpR6012g4 A . yes native no no . . . 26577 1 2 Phycocyanobilin 2 $entity_CYC A . yes native no no . . . 26577 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 thioether single . 1 . 1 CYS 105 105 SG . 2 . 2 CYC 1 1 CAC . 'Cyanobacteriochrome NpR6012g4' . 105 CYS SG . Phycocyanobilin . 1 1 CAC 26577 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cyanobacteriochrome_NpR6012g4 _Entity.Sf_category entity _Entity.Sf_framecode Cyanobacteriochrome_NpR6012g4 _Entity.Entry_ID 26577 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cyanobacteriochrome_NpR6012g4 _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 ; MGEKAVTKISNRIRQSSDVE EIFKTTTQEVRQLLRCDRVA VYRFNPNWTGEFVAESVAHT WVKLVGPDIKTVWEDTHLQE TQGGRYAQGENFVVNDIYQV GHSPCHIEILEQFEVKAYVI VPVFAGEQLWGLLAAYQNSG TRDWDESEVTLLARIGNQLG LALQQTEYLQQVQGQSAKPG ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 . 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 1 583 MET . 26577 1 2 584 GLY . 26577 1 3 585 GLU . 26577 1 4 586 LYS . 26577 1 5 587 ALA . 26577 1 6 588 VAL . 26577 1 7 589 THR . 26577 1 8 590 LYS . 26577 1 9 591 ILE . 26577 1 10 592 SER . 26577 1 11 593 ASN . 26577 1 12 594 ARG . 26577 1 13 595 ILE . 26577 1 14 596 ARG . 26577 1 15 597 GLN . 26577 1 16 598 SER . 26577 1 17 599 SER . 26577 1 18 600 ASP . 26577 1 19 601 VAL . 26577 1 20 602 GLU . 26577 1 21 603 GLU . 26577 1 22 604 ILE . 26577 1 23 605 PHE . 26577 1 24 606 LYS . 26577 1 25 607 THR . 26577 1 26 608 THR . 26577 1 27 609 THR . 26577 1 28 610 GLN . 26577 1 29 611 GLU . 26577 1 30 612 VAL . 26577 1 31 613 ARG . 26577 1 32 614 GLN . 26577 1 33 615 LEU . 26577 1 34 616 LEU . 26577 1 35 617 ARG . 26577 1 36 618 CYS . 26577 1 37 619 ASP . 26577 1 38 620 ARG . 26577 1 39 621 VAL . 26577 1 40 622 ALA . 26577 1 41 623 VAL . 26577 1 42 624 TYR . 26577 1 43 625 ARG . 26577 1 44 626 PHE . 26577 1 45 627 ASN . 26577 1 46 628 PRO . 26577 1 47 629 ASN . 26577 1 48 630 TRP . 26577 1 49 631 THR . 26577 1 50 632 GLY . 26577 1 51 633 GLU . 26577 1 52 634 PHE . 26577 1 53 635 VAL . 26577 1 54 636 ALA . 26577 1 55 637 GLU . 26577 1 56 638 SER . 26577 1 57 639 VAL . 26577 1 58 640 ALA . 26577 1 59 641 HIS . 26577 1 60 642 THR . 26577 1 61 643 TRP . 26577 1 62 644 VAL . 26577 1 63 645 LYS . 26577 1 64 646 LEU . 26577 1 65 647 VAL . 26577 1 66 648 GLY . 26577 1 67 649 PRO . 26577 1 68 650 ASP . 26577 1 69 651 ILE . 26577 1 70 652 LYS . 26577 1 71 653 THR . 26577 1 72 654 VAL . 26577 1 73 655 TRP . 26577 1 74 656 GLU . 26577 1 75 657 ASP . 26577 1 76 658 THR . 26577 1 77 659 HIS . 26577 1 78 660 LEU . 26577 1 79 661 GLN . 26577 1 80 662 GLU . 26577 1 81 663 THR . 26577 1 82 664 GLN . 26577 1 83 665 GLY . 26577 1 84 666 GLY . 26577 1 85 667 ARG . 26577 1 86 668 TYR . 26577 1 87 669 ALA . 26577 1 88 670 GLN . 26577 1 89 671 GLY . 26577 1 90 672 GLU . 26577 1 91 673 ASN . 26577 1 92 674 PHE . 26577 1 93 675 VAL . 26577 1 94 676 VAL . 26577 1 95 677 ASN . 26577 1 96 678 ASP . 26577 1 97 679 ILE . 26577 1 98 680 TYR . 26577 1 99 681 GLN . 26577 1 100 682 VAL . 26577 1 101 683 GLY . 26577 1 102 684 HIS . 26577 1 103 685 SER . 26577 1 104 686 PRO . 26577 1 105 687 CYS . 26577 1 106 688 HIS . 26577 1 107 689 ILE . 26577 1 108 690 GLU . 26577 1 109 691 ILE . 26577 1 110 692 LEU . 26577 1 111 693 GLU . 26577 1 112 694 GLN . 26577 1 113 695 PHE . 26577 1 114 696 GLU . 26577 1 115 697 VAL . 26577 1 116 698 LYS . 26577 1 117 699 ALA . 26577 1 118 700 TYR . 26577 1 119 701 VAL . 26577 1 120 702 ILE . 26577 1 121 703 VAL . 26577 1 122 704 PRO . 26577 1 123 705 VAL . 26577 1 124 706 PHE . 26577 1 125 707 ALA . 26577 1 126 708 GLY . 26577 1 127 709 GLU . 26577 1 128 710 GLN . 26577 1 129 711 LEU . 26577 1 130 712 TRP . 26577 1 131 713 GLY . 26577 1 132 714 LEU . 26577 1 133 715 LEU . 26577 1 134 716 ALA . 26577 1 135 717 ALA . 26577 1 136 718 TYR . 26577 1 137 719 GLN . 26577 1 138 720 ASN . 26577 1 139 721 SER . 26577 1 140 722 GLY . 26577 1 141 723 THR . 26577 1 142 724 ARG . 26577 1 143 725 ASP . 26577 1 144 726 TRP . 26577 1 145 727 ASP . 26577 1 146 728 GLU . 26577 1 147 729 SER . 26577 1 148 730 GLU . 26577 1 149 731 VAL . 26577 1 150 732 THR . 26577 1 151 733 LEU . 26577 1 152 734 LEU . 26577 1 153 735 ALA . 26577 1 154 736 ARG . 26577 1 155 737 ILE . 26577 1 156 738 GLY . 26577 1 157 739 ASN . 26577 1 158 740 GLN . 26577 1 159 741 LEU . 26577 1 160 742 GLY . 26577 1 161 743 LEU . 26577 1 162 744 ALA . 26577 1 163 745 LEU . 26577 1 164 746 GLN . 26577 1 165 747 GLN . 26577 1 166 748 THR . 26577 1 167 749 GLU . 26577 1 168 750 TYR . 26577 1 169 751 LEU . 26577 1 170 752 GLN . 26577 1 171 753 GLN . 26577 1 172 754 VAL . 26577 1 173 755 GLN . 26577 1 174 756 GLY . 26577 1 175 757 GLN . 26577 1 176 758 SER . 26577 1 177 759 ALA . 26577 1 178 760 LYS . 26577 1 179 761 PRO . 26577 1 180 762 GLY . 26577 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 . MET 1 1 26577 1 . GLY 2 2 26577 1 . GLU 3 3 26577 1 . LYS 4 4 26577 1 . ALA 5 5 26577 1 . VAL 6 6 26577 1 . THR 7 7 26577 1 . LYS 8 8 26577 1 . ILE 9 9 26577 1 . SER 10 10 26577 1 . ASN 11 11 26577 1 . ARG 12 12 26577 1 . ILE 13 13 26577 1 . ARG 14 14 26577 1 . GLN 15 15 26577 1 . SER 16 16 26577 1 . SER 17 17 26577 1 . ASP 18 18 26577 1 . VAL 19 19 26577 1 . GLU 20 20 26577 1 . GLU 21 21 26577 1 . ILE 22 22 26577 1 . PHE 23 23 26577 1 . LYS 24 24 26577 1 . THR 25 25 26577 1 . THR 26 26 26577 1 . THR 27 27 26577 1 . GLN 28 28 26577 1 . GLU 29 29 26577 1 . VAL 30 30 26577 1 . ARG 31 31 26577 1 . GLN 32 32 26577 1 . LEU 33 33 26577 1 . LEU 34 34 26577 1 . ARG 35 35 26577 1 . CYS 36 36 26577 1 . ASP 37 37 26577 1 . ARG 38 38 26577 1 . VAL 39 39 26577 1 . ALA 40 40 26577 1 . VAL 41 41 26577 1 . TYR 42 42 26577 1 . ARG 43 43 26577 1 . PHE 44 44 26577 1 . ASN 45 45 26577 1 . PRO 46 46 26577 1 . ASN 47 47 26577 1 . TRP 48 48 26577 1 . THR 49 49 26577 1 . GLY 50 50 26577 1 . GLU 51 51 26577 1 . PHE 52 52 26577 1 . VAL 53 53 26577 1 . ALA 54 54 26577 1 . GLU 55 55 26577 1 . SER 56 56 26577 1 . VAL 57 57 26577 1 . ALA 58 58 26577 1 . HIS 59 59 26577 1 . THR 60 60 26577 1 . TRP 61 61 26577 1 . VAL 62 62 26577 1 . LYS 63 63 26577 1 . LEU 64 64 26577 1 . VAL 65 65 26577 1 . GLY 66 66 26577 1 . PRO 67 67 26577 1 . ASP 68 68 26577 1 . ILE 69 69 26577 1 . LYS 70 70 26577 1 . THR 71 71 26577 1 . VAL 72 72 26577 1 . TRP 73 73 26577 1 . GLU 74 74 26577 1 . ASP 75 75 26577 1 . THR 76 76 26577 1 . HIS 77 77 26577 1 . LEU 78 78 26577 1 . GLN 79 79 26577 1 . GLU 80 80 26577 1 . THR 81 81 26577 1 . GLN 82 82 26577 1 . GLY 83 83 26577 1 . GLY 84 84 26577 1 . ARG 85 85 26577 1 . TYR 86 86 26577 1 . ALA 87 87 26577 1 . GLN 88 88 26577 1 . GLY 89 89 26577 1 . GLU 90 90 26577 1 . ASN 91 91 26577 1 . PHE 92 92 26577 1 . VAL 93 93 26577 1 . VAL 94 94 26577 1 . ASN 95 95 26577 1 . ASP 96 96 26577 1 . ILE 97 97 26577 1 . TYR 98 98 26577 1 . GLN 99 99 26577 1 . VAL 100 100 26577 1 . GLY 101 101 26577 1 . HIS 102 102 26577 1 . SER 103 103 26577 1 . PRO 104 104 26577 1 . CYS 105 105 26577 1 . HIS 106 106 26577 1 . ILE 107 107 26577 1 . GLU 108 108 26577 1 . ILE 109 109 26577 1 . LEU 110 110 26577 1 . GLU 111 111 26577 1 . GLN 112 112 26577 1 . PHE 113 113 26577 1 . GLU 114 114 26577 1 . VAL 115 115 26577 1 . LYS 116 116 26577 1 . ALA 117 117 26577 1 . TYR 118 118 26577 1 . VAL 119 119 26577 1 . ILE 120 120 26577 1 . VAL 121 121 26577 1 . PRO 122 122 26577 1 . VAL 123 123 26577 1 . PHE 124 124 26577 1 . ALA 125 125 26577 1 . GLY 126 126 26577 1 . GLU 127 127 26577 1 . GLN 128 128 26577 1 . LEU 129 129 26577 1 . TRP 130 130 26577 1 . GLY 131 131 26577 1 . LEU 132 132 26577 1 . LEU 133 133 26577 1 . ALA 134 134 26577 1 . ALA 135 135 26577 1 . TYR 136 136 26577 1 . GLN 137 137 26577 1 . ASN 138 138 26577 1 . SER 139 139 26577 1 . GLY 140 140 26577 1 . THR 141 141 26577 1 . ARG 142 142 26577 1 . ASP 143 143 26577 1 . TRP 144 144 26577 1 . ASP 145 145 26577 1 . GLU 146 146 26577 1 . SER 147 147 26577 1 . GLU 148 148 26577 1 . VAL 149 149 26577 1 . THR 150 150 26577 1 . LEU 151 151 26577 1 . LEU 152 152 26577 1 . ALA 153 153 26577 1 . ARG 154 154 26577 1 . ILE 155 155 26577 1 . GLY 156 156 26577 1 . ASN 157 157 26577 1 . GLN 158 158 26577 1 . LEU 159 159 26577 1 . GLY 160 160 26577 1 . LEU 161 161 26577 1 . ALA 162 162 26577 1 . LEU 163 163 26577 1 . GLN 164 164 26577 1 . GLN 165 165 26577 1 . THR 166 166 26577 1 . GLU 167 167 26577 1 . TYR 168 168 26577 1 . LEU 169 169 26577 1 . GLN 170 170 26577 1 . GLN 171 171 26577 1 . VAL 172 172 26577 1 . GLN 173 173 26577 1 . GLY 174 174 26577 1 . GLN 175 175 26577 1 . SER 176 176 26577 1 . ALA 177 177 26577 1 . LYS 178 178 26577 1 . PRO 179 179 26577 1 . GLY 180 180 26577 1 stop_ save_ save_entity_CYC _Entity.Sf_category entity _Entity.Sf_framecode entity_CYC _Entity.Entry_ID 26577 _Entity.ID 2 _Entity.BMRB_code CYC _Entity.Name entity_CYC _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CYC _Entity.Nonpolymer_comp_label $chem_comp_CYC _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 588.694 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PHYCOCYANOBILIN BMRB 26577 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID PHYCOCYANOBILIN BMRB 26577 2 CYC 'Three letter code' 26577 2 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 1 CYC $chem_comp_CYC 26577 2 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 26577 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Cyanobacteriochrome_NpR6012g4 . 272131 organism . 'Nostoc Punctiforme' 'Nostoc Punctiforme' . . Bacteria . Nostoc Punctiforme . . . . . . . . . . . . . 26577 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 26577 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Cyanobacteriochrome_NpR6012g4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 26577 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CYC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYC _Chem_comp.Entry_ID 26577 _Chem_comp.ID CYC _Chem_comp.Provenance PDB _Chem_comp.Name PHYCOCYANOBILIN _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CYC _Chem_comp.PDB_code CYC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-05-02 _Chem_comp.Modified_date 2014-05-02 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CYC _Chem_comp.Number_atoms_all 83 _Chem_comp.Number_atoms_nh 43 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C33 H40 N4 O6' _Chem_comp.Formula_weight 588.694 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CPC _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C ; SMILES 'OpenEye OEToolkits' 1.7.6 26577 CYC ; CC[C@@H]1[C@@H](C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C ; SMILES_CANONICAL CACTVS 3.385 26577 CYC ; CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 26577 CYC ; CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C ; SMILES CACTVS 3.385 26577 CYC ; InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 ; InChI InChI 1.03 26577 CYC VXTXPYZGDQPMHK-GMXXPEQVSA-N InChIKey InChI 1.03 26577 CYC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one 'SYSTEMATIC NAME' ACD-LABS 4.04 26577 CYC ; 3-[5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 26577 CYC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CHA CHA CHA CHA . C . . N 0 . . . 1 no no . . . . 16.072 . -11.574 . -17.298 . -2.348 0.022 -0.098 1 . 26577 CYC NA NA NA 'N A' . N . . N 0 . . . 1 no no . . . . 14.262 . -13.278 . -17.145 . -0.444 -1.511 -0.052 2 . 26577 CYC C1A C1A C1A C1A . C . . N 0 . . . 1 no no . . . . 14.747 . -11.984 . -17.112 . -1.732 -1.233 -0.274 3 . 26577 CYC C2A C2A C2A C2A . C . . N 0 . . . 1 no no . . . . 13.728 . -11.126 . -16.625 . -2.372 -2.415 -0.717 4 . 26577 CYC C3A C3A C3A C3A . C . . N 0 . . . 1 no no . . . . 12.553 . -11.911 . -16.509 . -1.422 -3.389 -0.747 5 . 26577 CYC C4A C4A C4A C4A . C . . N 0 . . . 1 no no . . . . 12.899 . -13.242 . -16.846 . -0.212 -2.795 -0.322 6 . 26577 CYC CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 11.203 . -11.379 . -16.135 . -1.623 -4.826 -1.154 7 . 26577 CYC CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 13.886 . -9.738 . -16.100 . -3.825 -2.566 -1.085 8 . 26577 CYC CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 14.280 . -9.828 . -14.581 . -4.645 -2.838 0.178 9 . 26577 CYC CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 15.763 . -9.548 . -14.423 . -6.099 -2.989 -0.190 10 . 26577 CYC O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 16.410 . -10.079 . -13.469 . -6.444 -2.889 -1.344 11 . 26577 CYC O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 16.282 . -8.743 . -15.262 . -7.011 -3.234 0.764 12 . 26577 CYC CHB CHB CHB CHB . C . . N 0 . . . 1 no no . . . . 12.006 . -14.365 . -16.911 . 1.037 -3.453 -0.205 13 . 26577 CYC NB NB NB 'N B' . N . . N 0 . . . 1 no no . . . . 10.914 . -14.235 . -14.608 . 2.082 -1.543 0.964 14 . 26577 CYC C1B C1B C1B C1B . C . . N 0 . . . 1 no no . . . . 11.114 . -14.835 . -15.895 . 2.083 -2.835 0.445 15 . 26577 CYC C2B C2B C2B C2B . C . . N 0 . . . 1 no no . . . . 10.295 . -16.021 . -15.972 . 3.351 -3.397 0.707 16 . 26577 CYC C3B C3B C3B C3B . C . . N 0 . . . 1 no no . . . . 9.520 . -16.056 . -14.783 . 4.084 -2.460 1.366 17 . 26577 CYC C4B C4B C4B C4B . C . . N 0 . . . 1 no no . . . . 9.952 . -14.886 . -13.935 . 3.286 -1.310 1.520 18 . 26577 CYC CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 10.208 . -17.019 . -17.077 . 3.809 -4.782 0.327 19 . 26577 CYC CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 8.480 . -17.082 . -14.505 . 5.503 -2.623 1.846 20 . 26577 CYC CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 7.111 . -16.406 . -14.410 . 6.465 -2.076 0.789 21 . 26577 CYC OB OB OB 'O B' . O . . N 0 . . . 1 no no . . . . 9.560 . -14.550 . -12.786 . 3.627 -0.275 2.068 22 . 26577 CYC NC NC NC 'N C' . N . . N 0 . . . 1 no no . . . . 20.847 . -14.689 . -20.726 . 2.198 1.441 -1.275 23 . 26577 CYC C1C C1C C1C C1C . C . . N 0 . . . 1 no no . . . . 21.538 . -15.374 . -21.636 . 3.297 1.044 -1.928 24 . 26577 CYC C2C C2C C2C C2C . C . . R 0 . . . 1 no no . . . . 21.141 . -16.843 . -21.715 . 4.486 1.846 -1.450 25 . 26577 CYC C3C C3C C3C C3C . C . . R 0 . . . 1 no no . . . . 20.014 . -16.879 . -20.661 . 3.895 2.797 -0.390 26 . 26577 CYC C4C C4C C4C C4C . C . . N 0 . . . 1 no no . . . . 19.877 . -15.510 . -20.085 . 2.425 2.442 -0.368 27 . 26577 CYC CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 20.636 . -17.098 . -23.144 . 5.535 0.927 -0.820 28 . 26577 CYC CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 20.179 . -18.039 . -19.615 . 4.090 4.255 -0.808 29 . 26577 CYC CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 20.016 . -19.399 . -20.329 . 5.583 4.590 -0.812 30 . 26577 CYC OC OC OC 'O C' . O . . N 0 . . . 1 no no . . . . 22.420 . -14.918 . -22.359 . 3.334 0.174 -2.772 31 . 26577 CYC CHD CHD CHD CHD . C . . N 0 . . . 1 no no . . . . 18.816 . -15.053 . -19.282 . 1.490 3.017 0.415 32 . 26577 CYC ND ND ND 'N D' . N . . N 0 . . . 1 yes no . . . . 17.212 . -13.553 . -18.257 . -0.209 1.258 0.021 33 . 26577 CYC C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 18.494 . -13.816 . -18.691 . 0.171 2.504 0.437 34 . 26577 CYC C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 19.326 . -12.648 . -18.415 . -0.963 3.184 0.887 35 . 26577 CYC C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 18.480 . -11.682 . -17.886 . -2.046 2.344 0.744 36 . 26577 CYC C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 17.178 . -12.262 . -17.796 . -1.578 1.137 0.203 37 . 26577 CYC CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 20.780 . -12.407 . -18.647 . -0.996 4.588 1.433 38 . 26577 CYC CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 18.918 . -10.360 . -17.354 . -3.474 2.663 1.105 39 . 26577 CYC CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 19.071 . -9.232 . -18.399 . -4.178 3.283 -0.104 40 . 26577 CYC CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 19.672 . -7.982 . -17.708 . -5.606 3.602 0.257 41 . 26577 CYC O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 20.012 . -7.018 . -18.466 . -6.018 3.360 1.367 42 . 26577 CYC O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . 19.829 . -7.970 . -16.431 . -6.420 4.157 -0.655 43 . 26577 CYC HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 16.272 . -10.553 . -17.007 . -3.419 0.118 -0.202 44 . 26577 CYC HMA1 HMA1 HMA1 HMA1 . H . . N 0 . . . 0 no no . . . . 10.475 . -12.203 . -16.120 . -1.450 -4.927 -2.225 45 . 26577 CYC HMA2 HMA2 HMA2 HMA2 . H . . N 0 . . . 0 no no . . . . 11.254 . -10.917 . -15.138 . -0.920 -5.458 -0.611 46 . 26577 CYC HMA3 HMA3 HMA3 HMA3 . H . . N 0 . . . 0 no no . . . . 10.889 . -10.626 . -16.872 . -2.642 -5.131 -0.920 47 . 26577 CYC HAA1 HAA1 HAA1 HAA1 . H . . N 0 . . . 0 no no . . . . 14.677 . -9.216 . -16.659 . -4.178 -1.649 -1.557 48 . 26577 CYC HAA2 HAA2 HAA2 HAA2 . H . . N 0 . . . 0 no no . . . . 12.938 . -9.190 . -16.207 . -3.940 -3.399 -1.779 49 . 26577 CYC HBA1 HBA1 HBA1 HBA1 . H . . N 0 . . . 0 no no . . . . 13.704 . -9.086 . -14.009 . -4.293 -3.755 0.650 50 . 26577 CYC HBA2 HBA2 HBA2 HBA2 . H . . N 0 . . . 0 no no . . . . 14.056 . -10.837 . -14.204 . -4.531 -2.005 0.872 51 . 26577 CYC H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 17.200 . -8.617 . -15.054 . -7.931 -3.323 0.480 52 . 26577 CYC HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 12.008 . -14.921 . -17.837 . 1.169 -4.439 -0.624 53 . 26577 CYC HB HB HB 'H B' . H . . N 0 . . . 1 no no . . . . 11.419 . -13.445 . -14.261 . 1.342 -0.917 0.927 54 . 26577 CYC HMB1 HMB1 HMB1 HMB1 . H . . N 0 . . . 0 no no . . . . 9.483 . -17.802 . -16.809 . 3.003 -5.301 -0.191 55 . 26577 CYC HMB2 HMB2 HMB2 HMB2 . H . . N 0 . . . 0 no no . . . . 9.881 . -16.517 . -17.999 . 4.677 -4.711 -0.328 56 . 26577 CYC HMB3 HMB3 HMB3 HMB3 . H . . N 0 . . . 0 no no . . . . 11.196 . -17.475 . -17.238 . 4.078 -5.336 1.227 57 . 26577 CYC HAB1 HAB1 HAB1 HAB1 . H . . N 0 . . . 0 no no . . . . 8.468 . -17.822 . -15.319 . 5.637 -2.073 2.778 58 . 26577 CYC HAB2 HAB2 HAB2 HAB2 . H . . N 0 . . . 0 no no . . . . 8.707 . -17.586 . -13.554 . 5.711 -3.679 2.015 59 . 26577 CYC HBB1 HBB1 HBB1 HBB1 . H . . N 0 . . . 0 no no . . . . 6.341 . -17.164 . -14.204 . 7.492 -2.194 1.137 60 . 26577 CYC HBB2 HBB2 HBB2 HBB2 . H . . N 0 . . . 0 no no . . . . 7.123 . -15.666 . -13.596 . 6.332 -2.626 -0.142 61 . 26577 CYC HBB3 HBB3 HBB3 HBB3 . H . . N 0 . . . 0 no no . . . . 6.884 . -15.902 . -15.361 . 6.258 -1.020 0.621 62 . 26577 CYC HC HC HC 'H C' . H . . N 0 . . . 1 no no . . . . 20.991 . -13.721 . -20.520 . 1.321 1.058 -1.432 63 . 26577 CYC H2C H2C H2C H2C . H . . N 0 . . . 1 no no . . . . 21.972 . -17.512 . -21.448 . 4.920 2.414 -2.273 64 . 26577 CYC H3C H3C H3C H3C . H . . N 0 . . . 1 no no . . . . 19.084 . -17.092 . -21.208 . 4.348 2.613 0.584 65 . 26577 CYC HMC1 HMC1 HMC1 HMC1 . H . . N 0 . . . 0 no no . . . . 20.337 . -18.152 . -23.245 . 5.939 0.261 -1.583 66 . 26577 CYC HMC2 HMC2 HMC2 HMC2 . H . . N 0 . . . 0 no no . . . . 19.770 . -16.451 . -23.348 . 6.341 1.529 -0.400 67 . 26577 CYC HMC3 HMC3 HMC3 HMC3 . H . . N 0 . . . 0 no no . . . . 21.439 . -16.874 . -23.862 . 5.073 0.336 -0.029 68 . 26577 CYC HAC1 HAC1 HAC1 HAC1 . H . . N 0 . . . 0 no yes . . . . 21.178 . -17.982 . -19.158 . 3.682 4.405 -1.808 69 . 26577 CYC HAC2 HAC2 HAC2 HAC2 . H . . N 0 . . . 0 no no . . . . 19.412 . -17.940 . -18.833 . 3.574 4.907 -0.104 70 . 26577 CYC HBC1 HBC1 HBC1 HBC1 . H . . N 0 . . . 0 no no . . . . 20.131 . -20.213 . -19.599 . 5.717 5.653 -1.014 71 . 26577 CYC HBC2 HBC2 HBC2 HBC2 . H . . N 0 . . . 0 no no . . . . 19.017 . -19.455 . -20.786 . 6.012 4.348 0.160 72 . 26577 CYC HBC3 HBC3 HBC3 HBC3 . H . . N 0 . . . 0 no no . . . . 20.783 . -19.497 . -21.111 . 6.084 4.007 -1.586 73 . 26577 CYC HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 18.087 . -15.821 . -19.072 . 1.748 3.870 1.026 74 . 26577 CYC HD HD HD 'H D' . H . . N 0 . . . 1 no no . . . . 16.442 . -14.191 . -18.275 . 0.377 0.576 -0.342 75 . 26577 CYC HMD1 HMD1 HMD1 HMD1 . H . . N 0 . . . 0 no no . . . . 20.927 . -11.993 . -19.655 . -1.162 5.291 0.616 76 . 26577 CYC HMD2 HMD2 HMD2 HMD2 . H . . N 0 . . . 0 no no . . . . 21.157 . -11.694 . -17.899 . -1.804 4.676 2.159 77 . 26577 CYC HMD3 HMD3 HMD3 HMD3 . H . . N 0 . . . 0 no no . . . . 21.328 . -13.357 . -18.557 . -0.045 4.812 1.917 78 . 26577 CYC HAD1 HAD1 HAD1 HAD1 . H . . N 0 . . . 0 no no . . . . 18.176 . -10.033 . -16.610 . -3.988 1.748 1.396 79 . 26577 CYC HAD2 HAD2 HAD2 HAD2 . H . . N 0 . . . 0 no no . . . . 19.892 . -10.500 . -16.863 . -3.489 3.369 1.936 80 . 26577 CYC HBD1 HBD1 HBD1 HBD1 . H . . N 0 . . . 0 no no . . . . 19.740 . -9.565 . -19.206 . -3.663 4.199 -0.394 81 . 26577 CYC HBD2 HBD2 HBD2 HBD2 . H . . N 0 . . . 0 no no . . . . 18.086 . -8.983 . -18.820 . -4.162 2.578 -0.934 82 . 26577 CYC H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . 20.227 . -7.148 . -16.168 . -7.328 4.344 -0.377 83 . 26577 CYC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CHA C1A no Z 1 . 26577 CYC 2 . SING CHA C4D no N 2 . 26577 CYC 3 . SING CHA HHA no N 3 . 26577 CYC 4 . SING NA C1A no N 4 . 26577 CYC 5 . DOUB NA C4A no N 5 . 26577 CYC 6 . SING C1A C2A no N 6 . 26577 CYC 7 . DOUB C2A C3A no N 7 . 26577 CYC 8 . SING C2A CAA no N 8 . 26577 CYC 9 . SING C3A C4A no N 9 . 26577 CYC 10 . SING C3A CMA no N 10 . 26577 CYC 11 . SING C4A CHB no N 11 . 26577 CYC 12 . SING CMA HMA1 no N 12 . 26577 CYC 13 . SING CMA HMA2 no N 13 . 26577 CYC 14 . SING CMA HMA3 no N 14 . 26577 CYC 15 . SING CAA CBA no N 15 . 26577 CYC 16 . SING CAA HAA1 no N 16 . 26577 CYC 17 . SING CAA HAA2 no N 17 . 26577 CYC 18 . SING CBA CGA no N 18 . 26577 CYC 19 . SING CBA HBA1 no N 19 . 26577 CYC 20 . SING CBA HBA2 no N 20 . 26577 CYC 21 . DOUB CGA O1A no N 21 . 26577 CYC 22 . SING CGA O2A no N 22 . 26577 CYC 23 . SING O2A H2A no N 23 . 26577 CYC 24 . DOUB CHB C1B no Z 24 . 26577 CYC 25 . SING CHB HHB no N 25 . 26577 CYC 26 . SING NB C1B no N 26 . 26577 CYC 27 . SING NB C4B no N 27 . 26577 CYC 28 . SING NB HB no N 28 . 26577 CYC 29 . SING C1B C2B no N 29 . 26577 CYC 30 . DOUB C2B C3B no N 30 . 26577 CYC 31 . SING C2B CMB no N 31 . 26577 CYC 32 . SING C3B C4B no N 32 . 26577 CYC 33 . SING C3B CAB no N 33 . 26577 CYC 34 . DOUB C4B OB no N 34 . 26577 CYC 35 . SING CMB HMB1 no N 35 . 26577 CYC 36 . SING CMB HMB2 no N 36 . 26577 CYC 37 . SING CMB HMB3 no N 37 . 26577 CYC 38 . SING CAB CBB no N 38 . 26577 CYC 39 . SING CAB HAB1 no N 39 . 26577 CYC 40 . SING CAB HAB2 no N 40 . 26577 CYC 41 . SING CBB HBB1 no N 41 . 26577 CYC 42 . SING CBB HBB2 no N 42 . 26577 CYC 43 . SING CBB HBB3 no N 43 . 26577 CYC 44 . SING NC C1C no N 44 . 26577 CYC 45 . SING NC C4C no N 45 . 26577 CYC 46 . SING NC HC no N 46 . 26577 CYC 47 . SING C1C C2C no N 47 . 26577 CYC 48 . DOUB C1C OC no N 48 . 26577 CYC 49 . SING C2C C3C no N 49 . 26577 CYC 50 . SING C2C CMC no N 50 . 26577 CYC 51 . SING C2C H2C no N 51 . 26577 CYC 52 . SING C3C C4C no N 52 . 26577 CYC 53 . SING C3C CAC no N 53 . 26577 CYC 54 . SING C3C H3C no N 54 . 26577 CYC 55 . DOUB C4C CHD no Z 55 . 26577 CYC 56 . SING CMC HMC1 no N 56 . 26577 CYC 57 . SING CMC HMC2 no N 57 . 26577 CYC 58 . SING CMC HMC3 no N 58 . 26577 CYC 59 . SING CAC CBC no N 59 . 26577 CYC 60 . SING CAC HAC1 no N 60 . 26577 CYC 61 . SING CAC HAC2 no N 61 . 26577 CYC 62 . SING CBC HBC1 no N 62 . 26577 CYC 63 . SING CBC HBC2 no N 63 . 26577 CYC 64 . SING CBC HBC3 no N 64 . 26577 CYC 65 . SING CHD C1D no N 65 . 26577 CYC 66 . SING CHD HHD no N 66 . 26577 CYC 67 . SING ND C1D yes N 67 . 26577 CYC 68 . SING ND C4D yes N 68 . 26577 CYC 69 . SING ND HD no N 69 . 26577 CYC 70 . DOUB C1D C2D yes N 70 . 26577 CYC 71 . SING C2D C3D yes N 71 . 26577 CYC 72 . SING C2D CMD no N 72 . 26577 CYC 73 . DOUB C3D C4D yes N 73 . 26577 CYC 74 . SING C3D CAD no N 74 . 26577 CYC 75 . SING CMD HMD1 no N 75 . 26577 CYC 76 . SING CMD HMD2 no N 76 . 26577 CYC 77 . SING CMD HMD3 no N 77 . 26577 CYC 78 . SING CAD CBD no N 78 . 26577 CYC 79 . SING CAD HAD1 no N 79 . 26577 CYC 80 . SING CAD HAD2 no N 80 . 26577 CYC 81 . SING CBD CGD no N 81 . 26577 CYC 82 . SING CBD HBD1 no N 82 . 26577 CYC 83 . SING CBD HBD2 no N 83 . 26577 CYC 84 . DOUB CGD O1D no N 84 . 26577 CYC 85 . SING CGD O2D no N 85 . 26577 CYC 86 . SING O2D H2D no N 86 . 26577 CYC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26577 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N and 13C labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26577 2 2 'Cyanobacteriochrome NpR6012g4' '[U-99% 13C; U-99% 15N]' . . 1 $Cyanobacteriochrome_NpR6012g4 . . 0.4 . . mM . . . . 26577 2 3 D2O '[U-99% 2H]' . . . . . . 7 . . '% v/v' . . . . 26577 2 4 H2O 'natural abundance' . . . . . . 93 . . '% v/v' . . . . 26577 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26577 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26577 1 2 'Cyanobacteriochrome NpR6012g4' '[U-99% 15N]' . . 1 $Cyanobacteriochrome_NpR6012g4 . . 0.4 . . mM . . . . 26577 1 3 D2O '[U-99% 2H]' . . . . . . 7 . . '% v/v' . . . . 26577 1 4 H2O 'natural abundance' . . . . . . 93 . . '% v/v' . . . . 26577 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26577 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26577 1 pressure 1 . atm 26577 1 temperature 301 . K 26577 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26577 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26577 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26577 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26577 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26577 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26577 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26577 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a triple-resonance cryogenic TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26577 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'equipped with a triple-resonance cryogenic TCI probe' . . 26577 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 26577 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26577 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 26577 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 41.706 na indirect 0.251449530 . . . . . 26577 1 H 1 water protons . . . . ppm 4.744 internal direct 1.000000000 . . . . . 26577 1 N 15 water protons . . . . ppm 118.050 na indirect 0.101329118 . . . . . 26577 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 26577 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26577 1 2 '3D 1H-15N TOCSY' . . . 26577 1 3 '3D 1H-15N NOESY' . . . 26577 1 4 '3D HNCO' . . . 26577 1 5 '3D HNCA' . . . 26577 1 6 '3D HNCACB' . . . 26577 1 7 '3D CBCA(CO)NH' . . . 26577 1 8 '3D HBHA(CO)NH' . . . 26577 1 10 '3D HN(CA)CO' . . . 26577 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 17 17 SER HA H 1 4.381 0.002 . 1 . . . . . 599 S HA . 26577 1 2 . 1 1 17 17 SER HB2 H 1 3.901 0.019 . 2 . . . . . 599 S HB# . 26577 1 3 . 1 1 17 17 SER HB3 H 1 3.901 0.019 . 2 . . . . . 599 S HB# . 26577 1 4 . 1 1 17 17 SER C C 13 174.407 0 . 1 . . . . . 599 S C . 26577 1 5 . 1 1 17 17 SER CA C 13 59.429 0 . 1 . . . . . 599 S CA . 26577 1 6 . 1 1 17 17 SER CB C 13 63.765 0.002 . 1 . . . . . 599 S CB . 26577 1 7 . 1 1 18 18 ASP H H 1 8.147 0 . 1 . . . . . 600 D H . 26577 1 8 . 1 1 18 18 ASP HA H 1 4.635 0 . 1 . . . . . 600 D HA . 26577 1 9 . 1 1 18 18 ASP C C 13 177.194 0 . 1 . . . . . 600 D C . 26577 1 10 . 1 1 18 18 ASP CA C 13 54.621 0 . 1 . . . . . 600 D CA . 26577 1 11 . 1 1 18 18 ASP CB C 13 41.54 0 . 1 . . . . . 600 D CB . 26577 1 12 . 1 1 18 18 ASP N N 15 121.428 0 . 1 . . . . . 600 D N . 26577 1 13 . 1 1 19 19 VAL H H 1 8.13 0.008 . 1 . . . . . 601 V H . 26577 1 14 . 1 1 19 19 VAL HA H 1 3.459 0.006 . 1 . . . . . 601 V HA . 26577 1 15 . 1 1 19 19 VAL HB H 1 1.794 0.007 . 1 . . . . . 601 V HB . 26577 1 16 . 1 1 19 19 VAL HG11 H 1 0.58 0.008 . 1 . . . . . 601 V HG1# . 26577 1 17 . 1 1 19 19 VAL HG12 H 1 0.58 0.008 . 1 . . . . . 601 V HG1# . 26577 1 18 . 1 1 19 19 VAL HG13 H 1 0.58 0.008 . 1 . . . . . 601 V HG1# . 26577 1 19 . 1 1 19 19 VAL HG21 H 1 0.789 0.009 . 1 . . . . . 601 V HG2# . 26577 1 20 . 1 1 19 19 VAL HG22 H 1 0.789 0.009 . 1 . . . . . 601 V HG2# . 26577 1 21 . 1 1 19 19 VAL HG23 H 1 0.789 0.009 . 1 . . . . . 601 V HG2# . 26577 1 22 . 1 1 19 19 VAL C C 13 176.023 0.023 . 1 . . . . . 601 V C . 26577 1 23 . 1 1 19 19 VAL CA C 13 65.215 0.034 . 1 . . . . . 601 V CA . 26577 1 24 . 1 1 19 19 VAL CB C 13 31.487 0.021 . 1 . . . . . 601 V CB . 26577 1 25 . 1 1 19 19 VAL CG1 C 13 21.667 0.011 . 1 . . . . . 601 V CG1 . 26577 1 26 . 1 1 19 19 VAL CG2 C 13 21.854 0.034 . 1 . . . . . 601 V CG2 . 26577 1 27 . 1 1 19 19 VAL N N 15 120.827 0.035 . 1 . . . . . 601 V N . 26577 1 28 . 1 1 20 20 GLU H H 1 8.038 0 . 1 . . . . . 602 E H . 26577 1 29 . 1 1 20 20 GLU HA H 1 3.929 0.017 . 1 . . . . . 602 E HA . 26577 1 30 . 1 1 20 20 GLU HB2 H 1 2.132 0.005 . 2 . . . . . 602 E HB# . 26577 1 31 . 1 1 20 20 GLU HB3 H 1 2.132 0.005 . 2 . . . . . 602 E HB# . 26577 1 32 . 1 1 20 20 GLU HG2 H 1 2.377 0.004 . 2 . . . . . 602 E HG# . 26577 1 33 . 1 1 20 20 GLU HG3 H 1 2.377 0.004 . 2 . . . . . 602 E HG# . 26577 1 34 . 1 1 20 20 GLU C C 13 179.483 0.011 . 1 . . . . . 602 E C . 26577 1 35 . 1 1 20 20 GLU CA C 13 59.92 0.043 . 1 . . . . . 602 E CA . 26577 1 36 . 1 1 20 20 GLU CB C 13 29.289 0.035 . 1 . . . . . 602 E CB . 26577 1 37 . 1 1 20 20 GLU CG C 13 36.773 0 . 1 . . . . . 602 E CG . 26577 1 38 . 1 1 20 20 GLU N N 15 119.651 0 . 1 . . . . . 602 E N . 26577 1 39 . 1 1 21 21 GLU H H 1 7.886 0.006 . 1 . . . . . 603 E H . 26577 1 40 . 1 1 21 21 GLU HA H 1 4.14 0.004 . 1 . . . . . 603 E HA . 26577 1 41 . 1 1 21 21 GLU HB2 H 1 2.137 0 . 2 . . . . . 603 E HB# . 26577 1 42 . 1 1 21 21 GLU HB3 H 1 2.137 0 . 2 . . . . . 603 E HB# . 26577 1 43 . 1 1 21 21 GLU HG2 H 1 2.357 0.004 . 2 . . . . . 603 E HG# . 26577 1 44 . 1 1 21 21 GLU HG3 H 1 2.357 0.004 . 2 . . . . . 603 E HG# . 26577 1 45 . 1 1 21 21 GLU C C 13 179.057 0 . 1 . . . . . 603 E C . 26577 1 46 . 1 1 21 21 GLU CA C 13 59.262 0.06 . 1 . . . . . 603 E CA . 26577 1 47 . 1 1 21 21 GLU CB C 13 29.205 0 . 1 . . . . . 603 E CB . 26577 1 48 . 1 1 21 21 GLU CG C 13 36.09 0 . 1 . . . . . 603 E CG . 26577 1 49 . 1 1 21 21 GLU N N 15 119.793 0.009 . 1 . . . . . 603 E N . 26577 1 50 . 1 1 22 22 ILE H H 1 7.808 0.011 . 1 . . . . . 604 I H . 26577 1 51 . 1 1 22 22 ILE HA H 1 3.767 0.009 . 1 . . . . . 604 I HA . 26577 1 52 . 1 1 22 22 ILE HB H 1 1.749 0.014 . 1 . . . . . 604 I HB . 26577 1 53 . 1 1 22 22 ILE HG12 H 1 1.592 0.009 . 2 . . . . . 604 I HG12 . 26577 1 54 . 1 1 22 22 ILE HG13 H 1 0.909 0.009 . 2 . . . . . 604 I HG13 . 26577 1 55 . 1 1 22 22 ILE HG21 H 1 0.574 0.009 . 1 . . . . . 604 I HG2# . 26577 1 56 . 1 1 22 22 ILE HG22 H 1 0.574 0.009 . 1 . . . . . 604 I HG2# . 26577 1 57 . 1 1 22 22 ILE HG23 H 1 0.574 0.009 . 1 . . . . . 604 I HG2# . 26577 1 58 . 1 1 22 22 ILE HD11 H 1 0.602 0.005 . 1 . . . . . 604 I HD1# . 26577 1 59 . 1 1 22 22 ILE HD12 H 1 0.602 0.005 . 1 . . . . . 604 I HD1# . 26577 1 60 . 1 1 22 22 ILE HD13 H 1 0.602 0.005 . 1 . . . . . 604 I HD1# . 26577 1 61 . 1 1 22 22 ILE C C 13 180.092 0.008 . 1 . . . . . 604 I C . 26577 1 62 . 1 1 22 22 ILE CA C 13 65.246 0.05 . 1 . . . . . 604 I CA . 26577 1 63 . 1 1 22 22 ILE CB C 13 37.515 0.069 . 1 . . . . . 604 I CB . 26577 1 64 . 1 1 22 22 ILE CG1 C 13 28.685 0 . 1 . . . . . 604 I CG1 . 26577 1 65 . 1 1 22 22 ILE CG2 C 13 17.146 0.014 . 1 . . . . . 604 I CG2 . 26577 1 66 . 1 1 22 22 ILE CD1 C 13 13.538 0.044 . 1 . . . . . 604 I CD1 . 26577 1 67 . 1 1 22 22 ILE N N 15 120.901 0.014 . 1 . . . . . 604 I N . 26577 1 68 . 1 1 23 23 PHE H H 1 8.298 0.005 . 1 . . . . . 605 F H . 26577 1 69 . 1 1 23 23 PHE HB2 H 1 3.345 0.011 . 2 . . . . . 605 F HB2 . 26577 1 70 . 1 1 23 23 PHE HB3 H 1 3.014 0.007 . 2 . . . . . 605 F HB3 . 26577 1 71 . 1 1 23 23 PHE HD1 H 1 7.095 0.014 . 3 . . . . . 605 F HD# . 26577 1 72 . 1 1 23 23 PHE HD2 H 1 7.095 0.014 . 3 . . . . . 605 F HD# . 26577 1 73 . 1 1 23 23 PHE HE1 H 1 7.223 0.005 . 3 . . . . . 605 F HE# . 26577 1 74 . 1 1 23 23 PHE HE2 H 1 7.223 0.005 . 3 . . . . . 605 F HE# . 26577 1 75 . 1 1 23 23 PHE C C 13 178.948 0 . 1 . . . . . 605 F C . 26577 1 76 . 1 1 23 23 PHE CA C 13 58.773 0 . 1 . . . . . 605 F CA . 26577 1 77 . 1 1 23 23 PHE CB C 13 37.83 0.114 . 1 . . . . . 605 F CB . 26577 1 78 . 1 1 23 23 PHE N N 15 120.728 0 . 1 . . . . . 605 F N . 26577 1 79 . 1 1 24 24 LYS H H 1 8.425 0.009 . 1 . . . . . 606 K H . 26577 1 80 . 1 1 24 24 LYS HA H 1 4.053 0.02 . 1 . . . . . 606 K HA . 26577 1 81 . 1 1 24 24 LYS HB2 H 1 2.046 0.009 . 2 . . . . . 606 K HB# . 26577 1 82 . 1 1 24 24 LYS HB3 H 1 2.046 0.009 . 2 . . . . . 606 K HB# . 26577 1 83 . 1 1 24 24 LYS HG2 H 1 1.488 0.01 . 2 . . . . . 606 K HG# . 26577 1 84 . 1 1 24 24 LYS HG3 H 1 1.488 0.01 . 2 . . . . . 606 K HG# . 26577 1 85 . 1 1 24 24 LYS HD2 H 1 1.786 0.002 . 2 . . . . . 606 K HD# . 26577 1 86 . 1 1 24 24 LYS HD3 H 1 1.786 0.002 . 2 . . . . . 606 K HD# . 26577 1 87 . 1 1 24 24 LYS HE2 H 1 3.041 0.009 . 2 . . . . . 606 K HE# . 26577 1 88 . 1 1 24 24 LYS HE3 H 1 3.041 0.009 . 2 . . . . . 606 K HE# . 26577 1 89 . 1 1 24 24 LYS C C 13 178.423 0.026 . 1 . . . . . 606 K C . 26577 1 90 . 1 1 24 24 LYS CA C 13 60.286 0.029 . 1 . . . . . 606 K CA . 26577 1 91 . 1 1 24 24 LYS CB C 13 32.721 0.031 . 1 . . . . . 606 K CB . 26577 1 92 . 1 1 24 24 LYS CG C 13 25.106 0.002 . 1 . . . . . 606 K CG . 26577 1 93 . 1 1 24 24 LYS CD C 13 29.568 0.022 . 1 . . . . . 606 K CD . 26577 1 94 . 1 1 24 24 LYS CE C 13 42.108 0.041 . 1 . . . . . 606 K CE . 26577 1 95 . 1 1 24 24 LYS N N 15 122.639 0.04 . 1 . . . . . 606 K N . 26577 1 96 . 1 1 25 25 THR H H 1 8.59 0.003 . 1 . . . . . 607 T H . 26577 1 97 . 1 1 25 25 THR HA H 1 4.031 0.017 . 1 . . . . . 607 T HA . 26577 1 98 . 1 1 25 25 THR HB H 1 4.223 0.006 . 1 . . . . . 607 T HB . 26577 1 99 . 1 1 25 25 THR HG21 H 1 1.272 0.001 . 1 . . . . . 607 T HG2# . 26577 1 100 . 1 1 25 25 THR HG22 H 1 1.272 0.001 . 1 . . . . . 607 T HG2# . 26577 1 101 . 1 1 25 25 THR HG23 H 1 1.272 0.001 . 1 . . . . . 607 T HG2# . 26577 1 102 . 1 1 25 25 THR C C 13 176.877 0 . 1 . . . . . 607 T C . 26577 1 103 . 1 1 25 25 THR CA C 13 66.114 0.031 . 1 . . . . . 607 T CA . 26577 1 104 . 1 1 25 25 THR CB C 13 68.804 0.023 . 1 . . . . . 607 T CB . 26577 1 105 . 1 1 25 25 THR CG2 C 13 22.058 0.005 . 1 . . . . . 607 T CG2 . 26577 1 106 . 1 1 25 25 THR N N 15 113.925 0.033 . 1 . . . . . 607 T N . 26577 1 107 . 1 1 26 26 THR H H 1 8.342 0.012 . 1 . . . . . 608 T H . 26577 1 108 . 1 1 26 26 THR C C 13 176.21 0.013 . 1 . . . . . 608 T C . 26577 1 109 . 1 1 26 26 THR CA C 13 68.33 0 . 1 . . . . . 608 T CA . 26577 1 110 . 1 1 26 26 THR CB C 13 68.79 0 . 1 . . . . . 608 T CB . 26577 1 111 . 1 1 26 26 THR N N 15 117.292 0.008 . 1 . . . . . 608 T N . 26577 1 112 . 1 1 27 27 THR H H 1 8.067 0.004 . 1 . . . . . 609 T H . 26577 1 113 . 1 1 27 27 THR HA H 1 3.738 0.007 . 1 . . . . . 609 T HA . 26577 1 114 . 1 1 27 27 THR HB H 1 3.968 0.005 . 1 . . . . . 609 T HB . 26577 1 115 . 1 1 27 27 THR HG21 H 1 1.152 0.006 . 1 . . . . . 609 T HG2# . 26577 1 116 . 1 1 27 27 THR HG22 H 1 1.152 0.006 . 1 . . . . . 609 T HG2# . 26577 1 117 . 1 1 27 27 THR HG23 H 1 1.152 0.006 . 1 . . . . . 609 T HG2# . 26577 1 118 . 1 1 27 27 THR C C 13 176.64 0 . 1 . . . . . 609 T C . 26577 1 119 . 1 1 27 27 THR CA C 13 66.147 0.004 . 1 . . . . . 609 T CA . 26577 1 120 . 1 1 27 27 THR CB C 13 67.965 0.079 . 1 . . . . . 609 T CB . 26577 1 121 . 1 1 27 27 THR CG2 C 13 23.394 0.042 . 1 . . . . . 609 T CG2 . 26577 1 122 . 1 1 27 27 THR N N 15 109.146 0.028 . 1 . . . . . 609 T N . 26577 1 123 . 1 1 28 28 GLN H H 1 7.666 0.008 . 1 . . . . . 610 Q H . 26577 1 124 . 1 1 28 28 GLN HA H 1 4.339 0.014 . 1 . . . . . 610 Q HA . 26577 1 125 . 1 1 28 28 GLN C C 13 178.613 0.005 . 1 . . . . . 610 Q C . 26577 1 126 . 1 1 28 28 GLN CA C 13 59.14 0.01 . 1 . . . . . 610 Q CA . 26577 1 127 . 1 1 28 28 GLN CB C 13 28.682 0 . 1 . . . . . 610 Q CB . 26577 1 128 . 1 1 28 28 GLN N N 15 121.685 0.029 . 1 . . . . . 610 Q N . 26577 1 129 . 1 1 29 29 GLU H H 1 8.383 0.009 . 1 . . . . . 611 E H . 26577 1 130 . 1 1 29 29 GLU HA H 1 4.152 0.014 . 1 . . . . . 611 E HA . 26577 1 131 . 1 1 29 29 GLU C C 13 179.956 0.016 . 1 . . . . . 611 E C . 26577 1 132 . 1 1 29 29 GLU CA C 13 59.505 0.013 . 1 . . . . . 611 E CA . 26577 1 133 . 1 1 29 29 GLU CB C 13 29.526 0 . 1 . . . . . 611 E CB . 26577 1 134 . 1 1 29 29 GLU N N 15 119.664 0.037 . 1 . . . . . 611 E N . 26577 1 135 . 1 1 30 30 VAL H H 1 8.366 0.007 . 1 . . . . . 612 V H . 26577 1 136 . 1 1 30 30 VAL HA H 1 3.536 0.011 . 1 . . . . . 612 V HA . 26577 1 137 . 1 1 30 30 VAL HB H 1 2.179 0.01 . 1 . . . . . 612 V HB . 26577 1 138 . 1 1 30 30 VAL HG11 H 1 0.875 0.011 . 1 . . . . . 612 V HG1# . 26577 1 139 . 1 1 30 30 VAL HG12 H 1 0.875 0.011 . 1 . . . . . 612 V HG1# . 26577 1 140 . 1 1 30 30 VAL HG13 H 1 0.875 0.011 . 1 . . . . . 612 V HG1# . 26577 1 141 . 1 1 30 30 VAL HG21 H 1 1.166 0.005 . 1 . . . . . 612 V HG2# . 26577 1 142 . 1 1 30 30 VAL HG22 H 1 1.166 0.005 . 1 . . . . . 612 V HG2# . 26577 1 143 . 1 1 30 30 VAL HG23 H 1 1.166 0.005 . 1 . . . . . 612 V HG2# . 26577 1 144 . 1 1 30 30 VAL C C 13 176.859 0 . 1 . . . . . 612 V C . 26577 1 145 . 1 1 30 30 VAL CA C 13 66.886 0.093 . 1 . . . . . 612 V CA . 26577 1 146 . 1 1 30 30 VAL CB C 13 31.459 0.006 . 1 . . . . . 612 V CB . 26577 1 147 . 1 1 30 30 VAL CG1 C 13 24.129 0.035 . 1 . . . . . 612 V CG1 . 26577 1 148 . 1 1 30 30 VAL CG2 C 13 25.074 0.024 . 1 . . . . . 612 V CG2 . 26577 1 149 . 1 1 30 30 VAL N N 15 117.795 0.058 . 1 . . . . . 612 V N . 26577 1 150 . 1 1 31 31 ARG H H 1 8.066 0.008 . 1 . . . . . 613 R H . 26577 1 151 . 1 1 31 31 ARG HA H 1 3.968 0.026 . 1 . . . . . 613 R HA . 26577 1 152 . 1 1 31 31 ARG C C 13 178.981 0.003 . 1 . . . . . 613 R C . 26577 1 153 . 1 1 31 31 ARG CA C 13 60.861 0.001 . 1 . . . . . 613 R CA . 26577 1 154 . 1 1 31 31 ARG CB C 13 30.756 0 . 1 . . . . . 613 R CB . 26577 1 155 . 1 1 31 31 ARG N N 15 120.488 0 . 1 . . . . . 613 R N . 26577 1 156 . 1 1 32 32 GLN H H 1 7.82 0.006 . 1 . . . . . 614 Q H . 26577 1 157 . 1 1 32 32 GLN HA H 1 4.259 0.023 . 1 . . . . . 614 Q HA . 26577 1 158 . 1 1 32 32 GLN HB2 H 1 2.242 0 . 2 . . . . . 614 Q HB# . 26577 1 159 . 1 1 32 32 GLN HB3 H 1 2.242 0 . 2 . . . . . 614 Q HB# . 26577 1 160 . 1 1 32 32 GLN HG2 H 1 2.533 0.014 . 2 . . . . . 614 Q HG# . 26577 1 161 . 1 1 32 32 GLN HG3 H 1 2.533 0.014 . 2 . . . . . 614 Q HG# . 26577 1 162 . 1 1 32 32 GLN C C 13 178.485 0.023 . 1 . . . . . 614 Q C . 26577 1 163 . 1 1 32 32 GLN CA C 13 58.441 0.006 . 1 . . . . . 614 Q CA . 26577 1 164 . 1 1 32 32 GLN CB C 13 28.637 0 . 1 . . . . . 614 Q CB . 26577 1 165 . 1 1 32 32 GLN CG C 13 33.977 0 . 1 . . . . . 614 Q CG . 26577 1 166 . 1 1 32 32 GLN N N 15 116.144 0.037 . 1 . . . . . 614 Q N . 26577 1 167 . 1 1 33 33 LEU H H 1 8.319 0.016 . 1 . . . . . 615 L H . 26577 1 168 . 1 1 33 33 LEU HA H 1 4.211 0.014 . 1 . . . . . 615 L HA . 26577 1 169 . 1 1 33 33 LEU HB2 H 1 1.887 0.01 . 2 . . . . . 615 L HB2 . 26577 1 170 . 1 1 33 33 LEU HB3 H 1 1.595 0.005 . 2 . . . . . 615 L HB3 . 26577 1 171 . 1 1 33 33 LEU HG H 1 1.666 0 . 1 . . . . . 615 L HG . 26577 1 172 . 1 1 33 33 LEU HD11 H 1 0.945 0 . 1 . . . . . 615 L HD1# . 26577 1 173 . 1 1 33 33 LEU HD12 H 1 0.945 0 . 1 . . . . . 615 L HD1# . 26577 1 174 . 1 1 33 33 LEU HD13 H 1 0.945 0 . 1 . . . . . 615 L HD1# . 26577 1 175 . 1 1 33 33 LEU HD21 H 1 0.945 0 . 1 . . . . . 615 L HD2# . 26577 1 176 . 1 1 33 33 LEU HD22 H 1 0.945 0 . 1 . . . . . 615 L HD2# . 26577 1 177 . 1 1 33 33 LEU HD23 H 1 0.945 0 . 1 . . . . . 615 L HD2# . 26577 1 178 . 1 1 33 33 LEU C C 13 179.284 0.026 . 1 . . . . . 615 L C . 26577 1 179 . 1 1 33 33 LEU CA C 13 57.922 0.034 . 1 . . . . . 615 L CA . 26577 1 180 . 1 1 33 33 LEU CB C 13 43.158 0.021 . 1 . . . . . 615 L CB . 26577 1 181 . 1 1 33 33 LEU CG C 13 27.182 0 . 1 . . . . . 615 L CG . 26577 1 182 . 1 1 33 33 LEU CD1 C 13 25.016 0 . 1 . . . . . 615 L CD1 . 26577 1 183 . 1 1 33 33 LEU CD2 C 13 23.52 0 . 1 . . . . . 615 L CD2 . 26577 1 184 . 1 1 33 33 LEU N N 15 120.492 0.059 . 1 . . . . . 615 L N . 26577 1 185 . 1 1 34 34 LEU H H 1 8.482 0.012 . 1 . . . . . 616 L H . 26577 1 186 . 1 1 34 34 LEU HA H 1 4.518 0.008 . 1 . . . . . 616 L HA . 26577 1 187 . 1 1 34 34 LEU HB2 H 1 1.93 0.024 . 2 . . . . . 616 L HB2 . 26577 1 188 . 1 1 34 34 LEU HB3 H 1 1.583 0.025 . 2 . . . . . 616 L HB3 . 26577 1 189 . 1 1 34 34 LEU HG H 1 1.82 0.01 . 1 . . . . . 616 L HG . 26577 1 190 . 1 1 34 34 LEU HD11 H 1 0.877 0.007 . 1 . . . . . 616 L HD1# . 26577 1 191 . 1 1 34 34 LEU HD12 H 1 0.877 0.007 . 1 . . . . . 616 L HD1# . 26577 1 192 . 1 1 34 34 LEU HD13 H 1 0.877 0.007 . 1 . . . . . 616 L HD1# . 26577 1 193 . 1 1 34 34 LEU HD21 H 1 0.985 0.005 . 1 . . . . . 616 L HD2# . 26577 1 194 . 1 1 34 34 LEU HD22 H 1 0.985 0.005 . 1 . . . . . 616 L HD2# . 26577 1 195 . 1 1 34 34 LEU HD23 H 1 0.985 0.005 . 1 . . . . . 616 L HD2# . 26577 1 196 . 1 1 34 34 LEU C C 13 177.101 0.006 . 1 . . . . . 616 L C . 26577 1 197 . 1 1 34 34 LEU CA C 13 54.846 0.03 . 1 . . . . . 616 L CA . 26577 1 198 . 1 1 34 34 LEU CB C 13 43.088 0.048 . 1 . . . . . 616 L CB . 26577 1 199 . 1 1 34 34 LEU CG C 13 27.811 0.06 . 1 . . . . . 616 L CG . 26577 1 200 . 1 1 34 34 LEU CD1 C 13 26.129 0.031 . 1 . . . . . 616 L CD1 . 26577 1 201 . 1 1 34 34 LEU CD2 C 13 23.521 0.041 . 1 . . . . . 616 L CD2 . 26577 1 202 . 1 1 34 34 LEU N N 15 114.268 0.022 . 1 . . . . . 616 L N . 26577 1 203 . 1 1 35 35 ARG H H 1 8.099 0.01 . 1 . . . . . 617 R H . 26577 1 204 . 1 1 35 35 ARG HA H 1 4.211 0.007 . 1 . . . . . 617 R HA . 26577 1 205 . 1 1 35 35 ARG HB2 H 1 2.056 0.013 . 2 . . . . . 617 R HB2 . 26577 1 206 . 1 1 35 35 ARG HB3 H 1 1.71 0 . 2 . . . . . 617 R HB3 . 26577 1 207 . 1 1 35 35 ARG C C 13 176.489 0.02 . 1 . . . . . 617 R C . 26577 1 208 . 1 1 35 35 ARG CA C 13 56.984 0.087 . 1 . . . . . 617 R CA . 26577 1 209 . 1 1 35 35 ARG CB C 13 26.518 0.024 . 1 . . . . . 617 R CB . 26577 1 210 . 1 1 35 35 ARG N N 15 118.532 0.032 . 1 . . . . . 617 R N . 26577 1 211 . 1 1 36 36 CYS H H 1 7.49 0.002 . 1 . . . . . 618 C H . 26577 1 212 . 1 1 36 36 CYS HA H 1 5.72 0.011 . 1 . . . . . 618 C HA . 26577 1 213 . 1 1 36 36 CYS HB2 H 1 3.759 0.001 . 2 . . . . . 618 C HB2 . 26577 1 214 . 1 1 36 36 CYS HB3 H 1 2.644 0.005 . 2 . . . . . 618 C HB3 . 26577 1 215 . 1 1 36 36 CYS C C 13 172.701 0.009 . 1 . . . . . 618 C C . 26577 1 216 . 1 1 36 36 CYS CA C 13 55.408 0.052 . 1 . . . . . 618 C CA . 26577 1 217 . 1 1 36 36 CYS CB C 13 29.333 0.032 . 1 . . . . . 618 C CB . 26577 1 218 . 1 1 36 36 CYS N N 15 113.079 0.017 . 1 . . . . . 618 C N . 26577 1 219 . 1 1 37 37 ASP H H 1 7.969 0.013 . 1 . . . . . 619 D H . 26577 1 220 . 1 1 37 37 ASP HA H 1 5.066 0.008 . 1 . . . . . 619 D HA . 26577 1 221 . 1 1 37 37 ASP HB2 H 1 2.228 0.006 . 2 . . . . . 619 D HB2 . 26577 1 222 . 1 1 37 37 ASP HB3 H 1 1.952 0.012 . 2 . . . . . 619 D HB3 . 26577 1 223 . 1 1 37 37 ASP C C 13 174.861 0 . 1 . . . . . 619 D C . 26577 1 224 . 1 1 37 37 ASP CA C 13 57.757 0.09 . 1 . . . . . 619 D CA . 26577 1 225 . 1 1 37 37 ASP CB C 13 43.703 0.046 . 1 . . . . . 619 D CB . 26577 1 226 . 1 1 37 37 ASP N N 15 117.756 0.022 . 1 . . . . . 619 D N . 26577 1 227 . 1 1 38 38 ARG H H 1 8.031 0.011 . 1 . . . . . 620 R H . 26577 1 228 . 1 1 38 38 ARG HA H 1 5.421 0.01 . 1 . . . . . 620 R HA . 26577 1 229 . 1 1 38 38 ARG HB2 H 1 1.596 0 . 2 . . . . . 620 R HB# . 26577 1 230 . 1 1 38 38 ARG HB3 H 1 1.596 0 . 2 . . . . . 620 R HB# . 26577 1 231 . 1 1 38 38 ARG C C 13 174.509 0.003 . 1 . . . . . 620 R C . 26577 1 232 . 1 1 38 38 ARG CA C 13 55.215 0.053 . 1 . . . . . 620 R CA . 26577 1 233 . 1 1 38 38 ARG CB C 13 34.66 0.023 . 1 . . . . . 620 R CB . 26577 1 234 . 1 1 38 38 ARG N N 15 118.745 0.024 . 1 . . . . . 620 R N . 26577 1 235 . 1 1 39 39 VAL H H 1 9.027 0.013 . 1 . . . . . 621 V H . 26577 1 236 . 1 1 39 39 VAL HA H 1 5.423 0.01 . 1 . . . . . 621 V HA . 26577 1 237 . 1 1 39 39 VAL HB H 1 1.989 0.01 . 1 . . . . . 621 V HB . 26577 1 238 . 1 1 39 39 VAL HG11 H 1 0.954 0.005 . 1 . . . . . 621 V HG1# . 26577 1 239 . 1 1 39 39 VAL HG12 H 1 0.954 0.005 . 1 . . . . . 621 V HG1# . 26577 1 240 . 1 1 39 39 VAL HG13 H 1 0.954 0.005 . 1 . . . . . 621 V HG1# . 26577 1 241 . 1 1 39 39 VAL HG21 H 1 0.899 0.006 . 1 . . . . . 621 V HG2# . 26577 1 242 . 1 1 39 39 VAL HG22 H 1 0.899 0.006 . 1 . . . . . 621 V HG2# . 26577 1 243 . 1 1 39 39 VAL HG23 H 1 0.899 0.006 . 1 . . . . . 621 V HG2# . 26577 1 244 . 1 1 39 39 VAL C C 13 174.262 0.006 . 1 . . . . . 621 V C . 26577 1 245 . 1 1 39 39 VAL CA C 13 61.133 0.129 . 1 . . . . . 621 V CA . 26577 1 246 . 1 1 39 39 VAL CB C 13 35.13 0.068 . 1 . . . . . 621 V CB . 26577 1 247 . 1 1 39 39 VAL CG1 C 13 21.123 0.013 . 1 . . . . . 621 V CG1 . 26577 1 248 . 1 1 39 39 VAL CG2 C 13 22.774 0.05 . 1 . . . . . 621 V CG2 . 26577 1 249 . 1 1 39 39 VAL N N 15 128.374 0.023 . 1 . . . . . 621 V N . 26577 1 250 . 1 1 40 40 ALA H H 1 9.822 0.013 . 1 . . . . . 622 A H . 26577 1 251 . 1 1 40 40 ALA HA H 1 5.572 0.012 . 1 . . . . . 622 A HA . 26577 1 252 . 1 1 40 40 ALA HB1 H 1 1.327 0.009 . 1 . . . . . 622 A HB# . 26577 1 253 . 1 1 40 40 ALA HB2 H 1 1.327 0.009 . 1 . . . . . 622 A HB# . 26577 1 254 . 1 1 40 40 ALA HB3 H 1 1.327 0.009 . 1 . . . . . 622 A HB# . 26577 1 255 . 1 1 40 40 ALA C C 13 174.257 0 . 1 . . . . . 622 A C . 26577 1 256 . 1 1 40 40 ALA CA C 13 50.851 0.073 . 1 . . . . . 622 A CA . 26577 1 257 . 1 1 40 40 ALA CB C 13 25.608 0.021 . 1 . . . . . 622 A CB . 26577 1 258 . 1 1 40 40 ALA N N 15 128.809 0.02 . 1 . . . . . 622 A N . 26577 1 259 . 1 1 41 41 VAL H H 1 8.354 0.01 . 1 . . . . . 623 V H . 26577 1 260 . 1 1 41 41 VAL HA H 1 4.837 0.006 . 1 . . . . . 623 V HA . 26577 1 261 . 1 1 41 41 VAL HB H 1 1.557 0.013 . 1 . . . . . 623 V HB . 26577 1 262 . 1 1 41 41 VAL HG11 H 1 0.75 0.005 . 1 . . . . . 623 V HG1# . 26577 1 263 . 1 1 41 41 VAL HG12 H 1 0.75 0.005 . 1 . . . . . 623 V HG1# . 26577 1 264 . 1 1 41 41 VAL HG13 H 1 0.75 0.005 . 1 . . . . . 623 V HG1# . 26577 1 265 . 1 1 41 41 VAL HG21 H 1 0.679 0.009 . 1 . . . . . 623 V HG2# . 26577 1 266 . 1 1 41 41 VAL HG22 H 1 0.679 0.009 . 1 . . . . . 623 V HG2# . 26577 1 267 . 1 1 41 41 VAL HG23 H 1 0.679 0.009 . 1 . . . . . 623 V HG2# . 26577 1 268 . 1 1 41 41 VAL C C 13 173.766 0.009 . 1 . . . . . 623 V C . 26577 1 269 . 1 1 41 41 VAL CA C 13 60.866 0.015 . 1 . . . . . 623 V CA . 26577 1 270 . 1 1 41 41 VAL CB C 13 34.522 0.002 . 1 . . . . . 623 V CB . 26577 1 271 . 1 1 41 41 VAL CG1 C 13 21.716 0.038 . 1 . . . . . 623 V CG1 . 26577 1 272 . 1 1 41 41 VAL CG2 C 13 21.041 0.055 . 1 . . . . . 623 V CG2 . 26577 1 273 . 1 1 41 41 VAL N N 15 118.203 0.025 . 1 . . . . . 623 V N . 26577 1 274 . 1 1 42 42 TYR H H 1 9.272 0.012 . 1 . . . . . 624 Y H . 26577 1 275 . 1 1 42 42 TYR HA H 1 4.392 0.017 . 1 . . . . . 624 Y HA . 26577 1 276 . 1 1 42 42 TYR HB2 H 1 2.166 0.005 . 2 . . . . . 624 Y HB2 . 26577 1 277 . 1 1 42 42 TYR HB3 H 1 1.914 0.005 . 2 . . . . . 624 Y HB3 . 26577 1 278 . 1 1 42 42 TYR HD1 H 1 7.081 0.012 . 3 . . . . . 624 Y HD# . 26577 1 279 . 1 1 42 42 TYR HD2 H 1 7.081 0.012 . 3 . . . . . 624 Y HD# . 26577 1 280 . 1 1 42 42 TYR HE1 H 1 6.737 0.015 . 3 . . . . . 624 Y HE# . 26577 1 281 . 1 1 42 42 TYR HE2 H 1 6.737 0.015 . 3 . . . . . 624 Y HE# . 26577 1 282 . 1 1 42 42 TYR C C 13 172.666 0.003 . 1 . . . . . 624 Y C . 26577 1 283 . 1 1 42 42 TYR CA C 13 56.072 0.035 . 1 . . . . . 624 Y CA . 26577 1 284 . 1 1 42 42 TYR CB C 13 42.014 0.005 . 1 . . . . . 624 Y CB . 26577 1 285 . 1 1 42 42 TYR N N 15 132.019 0.012 . 1 . . . . . 624 Y N . 26577 1 286 . 1 1 43 43 ARG H H 1 8.029 0.011 . 1 . . . . . 625 R H . 26577 1 287 . 1 1 43 43 ARG HA H 1 3.747 0.009 . 1 . . . . . 625 R HA . 26577 1 288 . 1 1 43 43 ARG HB2 H 1 1.192 0.007 . 2 . . . . . 625 R HB2 . 26577 1 289 . 1 1 43 43 ARG HB3 H 1 0.729 0.011 . 2 . . . . . 625 R HB3 . 26577 1 290 . 1 1 43 43 ARG HG2 H 1 -0.002 0.011 . 2 . . . . . 625 R HG# . 26577 1 291 . 1 1 43 43 ARG HG3 H 1 -0.002 0.011 . 2 . . . . . 625 R HG# . 26577 1 292 . 1 1 43 43 ARG HD2 H 1 3.007 0.012 . 2 . . . . . 625 R HD2 . 26577 1 293 . 1 1 43 43 ARG HD3 H 1 2.801 0.012 . 2 . . . . . 625 R HD3 . 26577 1 294 . 1 1 43 43 ARG HE H 1 6.916 0.001 . 1 . . . . . 625 R HE . 26577 1 295 . 1 1 43 43 ARG C C 13 175.373 0.011 . 1 . . . . . 625 R C . 26577 1 296 . 1 1 43 43 ARG CA C 13 54.123 0.044 . 1 . . . . . 625 R CA . 26577 1 297 . 1 1 43 43 ARG CB C 13 35.047 0.118 . 1 . . . . . 625 R CB . 26577 1 298 . 1 1 43 43 ARG CG C 13 25.728 0.087 . 1 . . . . . 625 R CG . 26577 1 299 . 1 1 43 43 ARG CD C 13 43.746 0.057 . 1 . . . . . 625 R CD . 26577 1 300 . 1 1 43 43 ARG CZ C 13 159.583 0 . 1 . . . . . 625 R CZ . 26577 1 301 . 1 1 43 43 ARG N N 15 127.228 0.042 . 1 . . . . . 625 R N . 26577 1 302 . 1 1 43 43 ARG NE N 15 84.328 0.017 . 1 . . . . . 625 R NE . 26577 1 303 . 1 1 44 44 PHE H H 1 7.674 0.005 . 1 . . . . . 626 F H . 26577 1 304 . 1 1 44 44 PHE HA H 1 4.637 0.007 . 1 . . . . . 626 F HA . 26577 1 305 . 1 1 44 44 PHE HB2 H 1 2.763 0.004 . 2 . . . . . 626 F HB2 . 26577 1 306 . 1 1 44 44 PHE HB3 H 1 2.291 0.009 . 2 . . . . . 626 F HB3 . 26577 1 307 . 1 1 44 44 PHE HD1 H 1 7.08 0.018 . 3 . . . . . 626 F HD# . 26577 1 308 . 1 1 44 44 PHE HD2 H 1 7.08 0.018 . 3 . . . . . 626 F HD# . 26577 1 309 . 1 1 44 44 PHE C C 13 176.209 0.026 . 1 . . . . . 626 F C . 26577 1 310 . 1 1 44 44 PHE CA C 13 59.274 0.067 . 1 . . . . . 626 F CA . 26577 1 311 . 1 1 44 44 PHE CB C 13 40.168 0.086 . 1 . . . . . 626 F CB . 26577 1 312 . 1 1 44 44 PHE N N 15 123.06 0.044 . 1 . . . . . 626 F N . 26577 1 313 . 1 1 45 45 ASN H H 1 9.063 0.002 . 1 . . . . . 627 N H . 26577 1 314 . 1 1 45 45 ASN HA H 1 4.815 0.004 . 1 . . . . . 627 N HA . 26577 1 315 . 1 1 45 45 ASN HB2 H 1 2.709 0.001 . 2 . . . . . 627 N HB2 . 26577 1 316 . 1 1 45 45 ASN HB3 H 1 2.365 0 . 2 . . . . . 627 N HB3 . 26577 1 317 . 1 1 45 45 ASN C C 13 175.88 0 . 1 . . . . . 627 N C . 26577 1 318 . 1 1 45 45 ASN CA C 13 51.433 0.052 . 1 . . . . . 627 N CA . 26577 1 319 . 1 1 45 45 ASN CB C 13 37.139 0.098 . 1 . . . . . 627 N CB . 26577 1 320 . 1 1 45 45 ASN N N 15 120.445 0.047 . 1 . . . . . 627 N N . 26577 1 321 . 1 1 46 46 PRO HA H 1 3.865 0.017 . 1 . . . . . 628 P HA . 26577 1 322 . 1 1 46 46 PRO HB2 H 1 2.237 0.009 . 2 . . . . . 628 P HB2 . 26577 1 323 . 1 1 46 46 PRO HB3 H 1 1.723 0.007 . 2 . . . . . 628 P HB3 . 26577 1 324 . 1 1 46 46 PRO C C 13 175.512 0 . 1 . . . . . 628 P C . 26577 1 325 . 1 1 46 46 PRO CA C 13 65.355 0.065 . 1 . . . . . 628 P CA . 26577 1 326 . 1 1 46 46 PRO CB C 13 31.655 0.02 . 1 . . . . . 628 P CB . 26577 1 327 . 1 1 47 47 ASN H H 1 7.325 0.002 . 1 . . . . . 629 N H . 26577 1 328 . 1 1 47 47 ASN HA H 1 4.641 0.008 . 1 . . . . . 629 N HA . 26577 1 329 . 1 1 47 47 ASN HB2 H 1 3.355 0.008 . 2 . . . . . 629 N HB2 . 26577 1 330 . 1 1 47 47 ASN HB3 H 1 2.77 0.007 . 2 . . . . . 629 N HB3 . 26577 1 331 . 1 1 47 47 ASN C C 13 175.55 0.013 . 1 . . . . . 629 N C . 26577 1 332 . 1 1 47 47 ASN CA C 13 51.829 0.079 . 1 . . . . . 629 N CA . 26577 1 333 . 1 1 47 47 ASN CB C 13 37.027 0.021 . 1 . . . . . 629 N CB . 26577 1 334 . 1 1 47 47 ASN N N 15 111.35 0.019 . 1 . . . . . 629 N N . 26577 1 335 . 1 1 48 48 TRP H H 1 7.898 0.007 . 1 . . . . . 630 W H . 26577 1 336 . 1 1 48 48 TRP HA H 1 3.945 0.035 . 1 . . . . . 630 W HA . 26577 1 337 . 1 1 48 48 TRP HB2 H 1 3.89 0.013 . 2 . . . . . 630 W HB2 . 26577 1 338 . 1 1 48 48 TRP HB3 H 1 3.643 0.003 . 2 . . . . . 630 W HB3 . 26577 1 339 . 1 1 48 48 TRP HD1 H 1 7.079 0.011 . 1 . . . . . 630 W HD1 . 26577 1 340 . 1 1 48 48 TRP HE1 H 1 9.947 0.001 . 1 . . . . . 630 W HE1 . 26577 1 341 . 1 1 48 48 TRP HE3 H 1 6.324 0.017 . 1 . . . . . 630 W HE3 . 26577 1 342 . 1 1 48 48 TRP HZ2 H 1 7.384 0.004 . 1 . . . . . 630 W HZ2 . 26577 1 343 . 1 1 48 48 TRP HZ3 H 1 5.853 0.006 . 1 . . . . . 630 W HZ3 . 26577 1 344 . 1 1 48 48 TRP C C 13 177.878 0.001 . 1 . . . . . 630 W C . 26577 1 345 . 1 1 48 48 TRP CA C 13 61.14 0.079 . 1 . . . . . 630 W CA . 26577 1 346 . 1 1 48 48 TRP CB C 13 25.761 0.009 . 1 . . . . . 630 W CB . 26577 1 347 . 1 1 48 48 TRP CE2 C 13 138.934 0 . 1 . . . . . 630 W CE2 . 26577 1 348 . 1 1 48 48 TRP N N 15 110.382 0.013 . 1 . . . . . 630 W N . 26577 1 349 . 1 1 48 48 TRP NE1 N 15 128.286 0.007 . 1 . . . . . 630 W NE1 . 26577 1 350 . 1 1 49 49 THR H H 1 7.159 0.012 . 1 . . . . . 631 T H . 26577 1 351 . 1 1 49 49 THR HA H 1 4.497 0.006 . 1 . . . . . 631 T HA . 26577 1 352 . 1 1 49 49 THR HB H 1 4.605 0.018 . 1 . . . . . 631 T HB . 26577 1 353 . 1 1 49 49 THR HG21 H 1 1.28 0.007 . 1 . . . . . 631 T HG2# . 26577 1 354 . 1 1 49 49 THR HG22 H 1 1.28 0.007 . 1 . . . . . 631 T HG2# . 26577 1 355 . 1 1 49 49 THR HG23 H 1 1.28 0.007 . 1 . . . . . 631 T HG2# . 26577 1 356 . 1 1 49 49 THR C C 13 173.316 0.019 . 1 . . . . . 631 T C . 26577 1 357 . 1 1 49 49 THR CA C 13 63.807 0.091 . 1 . . . . . 631 T CA . 26577 1 358 . 1 1 49 49 THR CB C 13 71.745 0.058 . 1 . . . . . 631 T CB . 26577 1 359 . 1 1 49 49 THR CG2 C 13 21.491 0.083 . 1 . . . . . 631 T CG2 . 26577 1 360 . 1 1 49 49 THR N N 15 107.051 0.042 . 1 . . . . . 631 T N . 26577 1 361 . 1 1 50 50 GLY H H 1 8.297 0.011 . 1 . . . . . 632 G H . 26577 1 362 . 1 1 50 50 GLY HA2 H 1 3.94 0.027 . 2 . . . . . 632 G HA2 . 26577 1 363 . 1 1 50 50 GLY HA3 H 1 3.498 0.01 . 2 . . . . . 632 G HA3 . 26577 1 364 . 1 1 50 50 GLY C C 13 170.683 0.026 . 1 . . . . . 632 G C . 26577 1 365 . 1 1 50 50 GLY CA C 13 47.475 0.021 . 1 . . . . . 632 G CA . 26577 1 366 . 1 1 50 50 GLY N N 15 106.884 0.047 . 1 . . . . . 632 G N . 26577 1 367 . 1 1 51 51 GLU H H 1 6.658 0.01 . 1 . . . . . 633 E H . 26577 1 368 . 1 1 51 51 GLU HA H 1 4.248 0.015 . 1 . . . . . 633 E HA . 26577 1 369 . 1 1 51 51 GLU HB2 H 1 1.897 0.003 . 2 . . . . . 633 E HB2 . 26577 1 370 . 1 1 51 51 GLU HB3 H 1 1.721 0.018 . 2 . . . . . 633 E HB3 . 26577 1 371 . 1 1 51 51 GLU HG2 H 1 1.883 0.008 . 2 . . . . . 633 E HG2 . 26577 1 372 . 1 1 51 51 GLU HG3 H 1 1.76 0.001 . 2 . . . . . 633 E HG3 . 26577 1 373 . 1 1 51 51 GLU C C 13 174.432 0.006 . 1 . . . . . 633 E C . 26577 1 374 . 1 1 51 51 GLU CA C 13 54.021 0.102 . 1 . . . . . 633 E CA . 26577 1 375 . 1 1 51 51 GLU CB C 13 32.774 0.115 . 1 . . . . . 633 E CB . 26577 1 376 . 1 1 51 51 GLU CG C 13 34.791 0.048 . 1 . . . . . 633 E CG . 26577 1 377 . 1 1 51 51 GLU N N 15 112.586 0.013 . 1 . . . . . 633 E N . 26577 1 378 . 1 1 52 52 PHE H H 1 9.035 0.004 . 1 . . . . . 634 F H . 26577 1 379 . 1 1 52 52 PHE HA H 1 4.95 0.009 . 1 . . . . . 634 F HA . 26577 1 380 . 1 1 52 52 PHE HB2 H 1 2.717 0.008 . 2 . . . . . 634 F HB2 . 26577 1 381 . 1 1 52 52 PHE HB3 H 1 2.523 0.003 . 2 . . . . . 634 F HB3 . 26577 1 382 . 1 1 52 52 PHE HD1 H 1 7.075 0.014 . 3 . . . . . 634 F HD# . 26577 1 383 . 1 1 52 52 PHE HD2 H 1 7.075 0.014 . 3 . . . . . 634 F HD# . 26577 1 384 . 1 1 52 52 PHE HE1 H 1 6.907 0.004 . 3 . . . . . 634 F HE# . 26577 1 385 . 1 1 52 52 PHE HE2 H 1 6.907 0.004 . 3 . . . . . 634 F HE# . 26577 1 386 . 1 1 52 52 PHE C C 13 176.224 0.015 . 1 . . . . . 634 F C . 26577 1 387 . 1 1 52 52 PHE CA C 13 59.246 0.065 . 1 . . . . . 634 F CA . 26577 1 388 . 1 1 52 52 PHE CB C 13 39.236 0.028 . 1 . . . . . 634 F CB . 26577 1 389 . 1 1 52 52 PHE N N 15 120.586 0.055 . 1 . . . . . 634 F N . 26577 1 390 . 1 1 53 53 VAL H H 1 8.373 0.009 . 1 . . . . . 635 V H . 26577 1 391 . 1 1 53 53 VAL HA H 1 4.43 0.011 . 1 . . . . . 635 V HA . 26577 1 392 . 1 1 53 53 VAL HB H 1 2.253 0.003 . 1 . . . . . 635 V HB . 26577 1 393 . 1 1 53 53 VAL HG11 H 1 0.724 0.007 . 1 . . . . . 635 V HG1# . 26577 1 394 . 1 1 53 53 VAL HG12 H 1 0.724 0.007 . 1 . . . . . 635 V HG1# . 26577 1 395 . 1 1 53 53 VAL HG13 H 1 0.724 0.007 . 1 . . . . . 635 V HG1# . 26577 1 396 . 1 1 53 53 VAL HG21 H 1 0.443 0.015 . 1 . . . . . 635 V HG2# . 26577 1 397 . 1 1 53 53 VAL HG22 H 1 0.443 0.015 . 1 . . . . . 635 V HG2# . 26577 1 398 . 1 1 53 53 VAL HG23 H 1 0.443 0.015 . 1 . . . . . 635 V HG2# . 26577 1 399 . 1 1 53 53 VAL C C 13 175.604 0.003 . 1 . . . . . 635 V C . 26577 1 400 . 1 1 53 53 VAL CA C 13 60.778 0.036 . 1 . . . . . 635 V CA . 26577 1 401 . 1 1 53 53 VAL CB C 13 33.076 0.037 . 1 . . . . . 635 V CB . 26577 1 402 . 1 1 53 53 VAL CG1 C 13 22.727 0.035 . 1 . . . . . 635 V CG1 . 26577 1 403 . 1 1 53 53 VAL CG2 C 13 18.478 0.027 . 1 . . . . . 635 V CG2 . 26577 1 404 . 1 1 53 53 VAL N N 15 114.553 0.042 . 1 . . . . . 635 V N . 26577 1 405 . 1 1 54 54 ALA H H 1 7.395 0.006 . 1 . . . . . 636 A H . 26577 1 406 . 1 1 54 54 ALA HA H 1 4.749 0.004 . 1 . . . . . 636 A HA . 26577 1 407 . 1 1 54 54 ALA HB1 H 1 1.334 0.005 . 1 . . . . . 636 A HB# . 26577 1 408 . 1 1 54 54 ALA HB2 H 1 1.334 0.005 . 1 . . . . . 636 A HB# . 26577 1 409 . 1 1 54 54 ALA HB3 H 1 1.334 0.005 . 1 . . . . . 636 A HB# . 26577 1 410 . 1 1 54 54 ALA C C 13 175.192 0.005 . 1 . . . . . 636 A C . 26577 1 411 . 1 1 54 54 ALA CA C 13 51.93 0.016 . 1 . . . . . 636 A CA . 26577 1 412 . 1 1 54 54 ALA CB C 13 23.311 0.032 . 1 . . . . . 636 A CB . 26577 1 413 . 1 1 54 54 ALA N N 15 120.379 0.023 . 1 . . . . . 636 A N . 26577 1 414 . 1 1 55 55 GLU H H 1 9.036 0.003 . 1 . . . . . 637 E H . 26577 1 415 . 1 1 55 55 GLU HA H 1 5.692 0.014 . 1 . . . . . 637 E HA . 26577 1 416 . 1 1 55 55 GLU HB2 H 1 1.98 0.029 . 2 . . . . . 637 E HB# . 26577 1 417 . 1 1 55 55 GLU HB3 H 1 1.98 0.029 . 2 . . . . . 637 E HB# . 26577 1 418 . 1 1 55 55 GLU C C 13 174.493 0.006 . 1 . . . . . 637 E C . 26577 1 419 . 1 1 55 55 GLU CA C 13 55.58 0.033 . 1 . . . . . 637 E CA . 26577 1 420 . 1 1 55 55 GLU CB C 13 33.452 0.15 . 1 . . . . . 637 E CB . 26577 1 421 . 1 1 55 55 GLU N N 15 116.324 0.006 . 1 . . . . . 637 E N . 26577 1 422 . 1 1 56 56 SER H H 1 8.929 0.011 . 1 . . . . . 638 S H . 26577 1 423 . 1 1 56 56 SER HA H 1 4.896 0.009 . 1 . . . . . 638 S HA . 26577 1 424 . 1 1 56 56 SER HB2 H 1 3.915 0.005 . 2 . . . . . 638 S HB2 . 26577 1 425 . 1 1 56 56 SER HB3 H 1 3.533 0.025 . 2 . . . . . 638 S HB3 . 26577 1 426 . 1 1 56 56 SER C C 13 173.358 0.022 . 1 . . . . . 638 S C . 26577 1 427 . 1 1 56 56 SER CA C 13 57.022 0.056 . 1 . . . . . 638 S CA . 26577 1 428 . 1 1 56 56 SER CB C 13 64.175 0 . 1 . . . . . 638 S CB . 26577 1 429 . 1 1 56 56 SER N N 15 113.553 0.02 . 1 . . . . . 638 S N . 26577 1 430 . 1 1 57 57 VAL H H 1 8.888 0.01 . 1 . . . . . 639 V H . 26577 1 431 . 1 1 57 57 VAL HA H 1 5.094 0.005 . 1 . . . . . 639 V HA . 26577 1 432 . 1 1 57 57 VAL HB H 1 2.212 0.007 . 1 . . . . . 639 V HB . 26577 1 433 . 1 1 57 57 VAL HG11 H 1 0.917 0.013 . 1 . . . . . 639 V HG1# . 26577 1 434 . 1 1 57 57 VAL HG12 H 1 0.917 0.013 . 1 . . . . . 639 V HG1# . 26577 1 435 . 1 1 57 57 VAL HG13 H 1 0.917 0.013 . 1 . . . . . 639 V HG1# . 26577 1 436 . 1 1 57 57 VAL HG21 H 1 1.468 0.007 . 1 . . . . . 639 V HG2# . 26577 1 437 . 1 1 57 57 VAL HG22 H 1 1.468 0.007 . 1 . . . . . 639 V HG2# . 26577 1 438 . 1 1 57 57 VAL HG23 H 1 1.468 0.007 . 1 . . . . . 639 V HG2# . 26577 1 439 . 1 1 57 57 VAL C C 13 173.154 0.003 . 1 . . . . . 639 V C . 26577 1 440 . 1 1 57 57 VAL CA C 13 59.475 0.076 . 1 . . . . . 639 V CA . 26577 1 441 . 1 1 57 57 VAL CB C 13 35.66 0.038 . 1 . . . . . 639 V CB . 26577 1 442 . 1 1 57 57 VAL CG1 C 13 18.318 0.022 . 1 . . . . . 639 V CG1 . 26577 1 443 . 1 1 57 57 VAL CG2 C 13 21.545 0.017 . 1 . . . . . 639 V CG2 . 26577 1 444 . 1 1 57 57 VAL N N 15 127.372 0.018 . 1 . . . . . 639 V N . 26577 1 445 . 1 1 58 58 ALA H H 1 8.189 0.004 . 1 . . . . . 640 A H . 26577 1 446 . 1 1 58 58 ALA HA H 1 4.593 0.013 . 1 . . . . . 640 A HA . 26577 1 447 . 1 1 58 58 ALA HB1 H 1 1.817 0.01 . 1 . . . . . 640 A HB# . 26577 1 448 . 1 1 58 58 ALA HB2 H 1 1.817 0.01 . 1 . . . . . 640 A HB# . 26577 1 449 . 1 1 58 58 ALA HB3 H 1 1.817 0.01 . 1 . . . . . 640 A HB# . 26577 1 450 . 1 1 58 58 ALA C C 13 178.285 0.01 . 1 . . . . . 640 A C . 26577 1 451 . 1 1 58 58 ALA CA C 13 52.691 0.096 . 1 . . . . . 640 A CA . 26577 1 452 . 1 1 58 58 ALA CB C 13 19.802 0.027 . 1 . . . . . 640 A CB . 26577 1 453 . 1 1 58 58 ALA N N 15 128.806 0.014 . 1 . . . . . 640 A N . 26577 1 454 . 1 1 59 59 HIS H H 1 8.541 0.006 . 1 . . . . . 641 H H . 26577 1 455 . 1 1 59 59 HIS HA H 1 4.512 0 . 1 . . . . . 641 H HA . 26577 1 456 . 1 1 59 59 HIS HB2 H 1 3.197 0 . 2 . . . . . 641 H HB# . 26577 1 457 . 1 1 59 59 HIS HB3 H 1 3.197 0 . 2 . . . . . 641 H HB# . 26577 1 458 . 1 1 59 59 HIS HD2 H 1 6.985 0 . 1 . . . . . 641 H HD2 . 26577 1 459 . 1 1 59 59 HIS C C 13 175.449 0 . 1 . . . . . 641 H C . 26577 1 460 . 1 1 59 59 HIS CA C 13 58.575 0.062 . 1 . . . . . 641 H CA . 26577 1 461 . 1 1 59 59 HIS CB C 13 30.765 0.076 . 1 . . . . . 641 H CB . 26577 1 462 . 1 1 59 59 HIS N N 15 117.634 0.014 . 1 . . . . . 641 H N . 26577 1 463 . 1 1 60 60 THR H H 1 6.905 0.004 . 1 . . . . . 642 T H . 26577 1 464 . 1 1 60 60 THR HA H 1 3.701 0.003 . 1 . . . . . 642 T HA . 26577 1 465 . 1 1 60 60 THR HB H 1 3.301 0.009 . 1 . . . . . 642 T HB . 26577 1 466 . 1 1 60 60 THR HG21 H 1 0.467 0.005 . 1 . . . . . 642 T HG2# . 26577 1 467 . 1 1 60 60 THR HG22 H 1 0.467 0.005 . 1 . . . . . 642 T HG2# . 26577 1 468 . 1 1 60 60 THR HG23 H 1 0.467 0.005 . 1 . . . . . 642 T HG2# . 26577 1 469 . 1 1 60 60 THR C C 13 173.904 0.004 . 1 . . . . . 642 T C . 26577 1 470 . 1 1 60 60 THR CA C 13 62.905 0.029 . 1 . . . . . 642 T CA . 26577 1 471 . 1 1 60 60 THR CB C 13 68.531 0.017 . 1 . . . . . 642 T CB . 26577 1 472 . 1 1 60 60 THR CG2 C 13 21.138 0.014 . 1 . . . . . 642 T CG2 . 26577 1 473 . 1 1 60 60 THR N N 15 109.367 0.018 . 1 . . . . . 642 T N . 26577 1 474 . 1 1 61 61 TRP H H 1 6.721 0.008 . 1 . . . . . 643 W H . 26577 1 475 . 1 1 61 61 TRP HA H 1 5.334 0.013 . 1 . . . . . 643 W HA . 26577 1 476 . 1 1 61 61 TRP HB2 H 1 3.388 0.006 . 2 . . . . . 643 W HB2 . 26577 1 477 . 1 1 61 61 TRP HB3 H 1 2.881 0.008 . 2 . . . . . 643 W HB3 . 26577 1 478 . 1 1 61 61 TRP HD1 H 1 7.316 0.015 . 1 . . . . . 643 W HD1 . 26577 1 479 . 1 1 61 61 TRP HE1 H 1 10.305 0.01 . 1 . . . . . 643 W HE1 . 26577 1 480 . 1 1 61 61 TRP HE3 H 1 8.106 0.005 . 1 . . . . . 643 W HE3 . 26577 1 481 . 1 1 61 61 TRP C C 13 176.3 0 . 1 . . . . . 643 W C . 26577 1 482 . 1 1 61 61 TRP CA C 13 54.409 0.072 . 1 . . . . . 643 W CA . 26577 1 483 . 1 1 61 61 TRP CB C 13 31.655 0.022 . 1 . . . . . 643 W CB . 26577 1 484 . 1 1 61 61 TRP CE2 C 13 139.448 0 . 1 . . . . . 643 W CE2 . 26577 1 485 . 1 1 61 61 TRP N N 15 120.239 0.023 . 1 . . . . . 643 W N . 26577 1 486 . 1 1 61 61 TRP NE1 N 15 129.541 0.016 . 1 . . . . . 643 W NE1 . 26577 1 487 . 1 1 62 62 VAL H H 1 9.498 0.006 . 1 . . . . . 644 V H . 26577 1 488 . 1 1 62 62 VAL HA H 1 4.183 0.007 . 1 . . . . . 644 V HA . 26577 1 489 . 1 1 62 62 VAL HB H 1 2.336 0.011 . 1 . . . . . 644 V HB . 26577 1 490 . 1 1 62 62 VAL HG11 H 1 1.116 0.007 . 1 . . . . . 644 V HG1# . 26577 1 491 . 1 1 62 62 VAL HG12 H 1 1.116 0.007 . 1 . . . . . 644 V HG1# . 26577 1 492 . 1 1 62 62 VAL HG13 H 1 1.116 0.007 . 1 . . . . . 644 V HG1# . 26577 1 493 . 1 1 62 62 VAL HG21 H 1 1.097 0.005 . 1 . . . . . 644 V HG2# . 26577 1 494 . 1 1 62 62 VAL HG22 H 1 1.097 0.005 . 1 . . . . . 644 V HG2# . 26577 1 495 . 1 1 62 62 VAL HG23 H 1 1.097 0.005 . 1 . . . . . 644 V HG2# . 26577 1 496 . 1 1 62 62 VAL C C 13 176.548 0.017 . 1 . . . . . 644 V C . 26577 1 497 . 1 1 62 62 VAL CA C 13 62.005 0.142 . 1 . . . . . 644 V CA . 26577 1 498 . 1 1 62 62 VAL CB C 13 32.617 0.034 . 1 . . . . . 644 V CB . 26577 1 499 . 1 1 62 62 VAL CG1 C 13 21.408 0.036 . 1 . . . . . 644 V CG1 . 26577 1 500 . 1 1 62 62 VAL CG2 C 13 19.441 0.037 . 1 . . . . . 644 V CG2 . 26577 1 501 . 1 1 62 62 VAL N N 15 118.854 0.033 . 1 . . . . . 644 V N . 26577 1 502 . 1 1 63 63 LYS H H 1 8.526 0.008 . 1 . . . . . 645 K H . 26577 1 503 . 1 1 63 63 LYS HA H 1 4.032 0.015 . 1 . . . . . 645 K HA . 26577 1 504 . 1 1 63 63 LYS HB2 H 1 1.781 0.012 . 2 . . . . . 645 K HB# . 26577 1 505 . 1 1 63 63 LYS HB3 H 1 1.781 0.012 . 2 . . . . . 645 K HB# . 26577 1 506 . 1 1 63 63 LYS HE2 H 1 3.024 0 . 2 . . . . . 645 K HE# . 26577 1 507 . 1 1 63 63 LYS HE3 H 1 3.024 0 . 2 . . . . . 645 K HE# . 26577 1 508 . 1 1 63 63 LYS C C 13 174.012 0.016 . 1 . . . . . 645 K C . 26577 1 509 . 1 1 63 63 LYS CA C 13 57.008 0.04 . 1 . . . . . 645 K CA . 26577 1 510 . 1 1 63 63 LYS CB C 13 33.041 0.106 . 1 . . . . . 645 K CB . 26577 1 511 . 1 1 63 63 LYS CE C 13 40.042 0 . 1 . . . . . 645 K CE . 26577 1 512 . 1 1 63 63 LYS N N 15 123.118 0.016 . 1 . . . . . 645 K N . 26577 1 513 . 1 1 64 64 LEU H H 1 9.69 0.014 . 1 . . . . . 646 L H . 26577 1 514 . 1 1 64 64 LEU HA H 1 4.518 0.014 . 1 . . . . . 646 L HA . 26577 1 515 . 1 1 64 64 LEU HB2 H 1 1.637 0.014 . 2 . . . . . 646 L HB# . 26577 1 516 . 1 1 64 64 LEU HB3 H 1 1.637 0.014 . 2 . . . . . 646 L HB# . 26577 1 517 . 1 1 64 64 LEU HG H 1 0.487 0.01 . 1 . . . . . 646 L HG . 26577 1 518 . 1 1 64 64 LEU HD11 H 1 -0.513 0.006 . 1 . . . . . 646 L HD1# . 26577 1 519 . 1 1 64 64 LEU HD12 H 1 -0.513 0.006 . 1 . . . . . 646 L HD1# . 26577 1 520 . 1 1 64 64 LEU HD13 H 1 -0.513 0.006 . 1 . . . . . 646 L HD1# . 26577 1 521 . 1 1 64 64 LEU HD21 H 1 -0.806 0.007 . 1 . . . . . 646 L HD2# . 26577 1 522 . 1 1 64 64 LEU HD22 H 1 -0.806 0.007 . 1 . . . . . 646 L HD2# . 26577 1 523 . 1 1 64 64 LEU HD23 H 1 -0.806 0.007 . 1 . . . . . 646 L HD2# . 26577 1 524 . 1 1 64 64 LEU C C 13 174.446 0 . 1 . . . . . 646 L C . 26577 1 525 . 1 1 64 64 LEU CA C 13 55.304 0.056 . 1 . . . . . 646 L CA . 26577 1 526 . 1 1 64 64 LEU CB C 13 45.337 0 . 1 . . . . . 646 L CB . 26577 1 527 . 1 1 64 64 LEU CG C 13 27.45 0.021 . 1 . . . . . 646 L CG . 26577 1 528 . 1 1 64 64 LEU CD1 C 13 21.146 0.017 . 1 . . . . . 646 L CD1 . 26577 1 529 . 1 1 64 64 LEU CD2 C 13 24.399 0.019 . 1 . . . . . 646 L CD2 . 26577 1 530 . 1 1 64 64 LEU N N 15 123.88 0.016 . 1 . . . . . 646 L N . 26577 1 531 . 1 1 65 65 VAL H H 1 7.48 0.013 . 1 . . . . . 647 V H . 26577 1 532 . 1 1 65 65 VAL HA H 1 4.031 0.011 . 1 . . . . . 647 V HA . 26577 1 533 . 1 1 65 65 VAL HB H 1 1.949 0.006 . 1 . . . . . 647 V HB . 26577 1 534 . 1 1 65 65 VAL HG11 H 1 0.761 0.006 . 1 . . . . . 647 V HG1# . 26577 1 535 . 1 1 65 65 VAL HG12 H 1 0.761 0.006 . 1 . . . . . 647 V HG1# . 26577 1 536 . 1 1 65 65 VAL HG13 H 1 0.761 0.006 . 1 . . . . . 647 V HG1# . 26577 1 537 . 1 1 65 65 VAL HG21 H 1 0.494 0.007 . 1 . . . . . 647 V HG2# . 26577 1 538 . 1 1 65 65 VAL HG22 H 1 0.494 0.007 . 1 . . . . . 647 V HG2# . 26577 1 539 . 1 1 65 65 VAL HG23 H 1 0.494 0.007 . 1 . . . . . 647 V HG2# . 26577 1 540 . 1 1 65 65 VAL C C 13 175.951 0.007 . 1 . . . . . 647 V C . 26577 1 541 . 1 1 65 65 VAL CA C 13 61.349 0.085 . 1 . . . . . 647 V CA . 26577 1 542 . 1 1 65 65 VAL CB C 13 32.676 0.072 . 1 . . . . . 647 V CB . 26577 1 543 . 1 1 65 65 VAL CG1 C 13 20.706 0.03 . 1 . . . . . 647 V CG1 . 26577 1 544 . 1 1 65 65 VAL CG2 C 13 22.117 0.025 . 1 . . . . . 647 V CG2 . 26577 1 545 . 1 1 65 65 VAL N N 15 118.005 0.011 . 1 . . . . . 647 V N . 26577 1 546 . 1 1 66 66 GLY H H 1 8.247 0.009 . 1 . . . . . 648 G H . 26577 1 547 . 1 1 66 66 GLY HA2 H 1 4.269 0.015 . 2 . . . . . 648 G HA2 . 26577 1 548 . 1 1 66 66 GLY HA3 H 1 4.087 0.002 . 2 . . . . . 648 G HA3 . 26577 1 549 . 1 1 66 66 GLY C C 13 171.482 0 . 1 . . . . . 648 G C . 26577 1 550 . 1 1 66 66 GLY CA C 13 44.771 0.042 . 1 . . . . . 648 G CA . 26577 1 551 . 1 1 66 66 GLY N N 15 116.605 0.034 . 1 . . . . . 648 G N . 26577 1 552 . 1 1 67 67 PRO HA H 1 4.495 0.005 . 1 . . . . . 649 P HA . 26577 1 553 . 1 1 67 67 PRO HB2 H 1 2.296 0.006 . 2 . . . . . 649 P HB2 . 26577 1 554 . 1 1 67 67 PRO HB3 H 1 2.004 0.009 . 2 . . . . . 649 P HB3 . 26577 1 555 . 1 1 67 67 PRO HG2 H 1 2.042 0 . 2 . . . . . 649 P HG# . 26577 1 556 . 1 1 67 67 PRO HG3 H 1 2.042 0 . 2 . . . . . 649 P HG# . 26577 1 557 . 1 1 67 67 PRO HD2 H 1 3.673 0.002 . 2 . . . . . 649 P HD2 . 26577 1 558 . 1 1 67 67 PRO HD3 H 1 3.612 0.001 . 2 . . . . . 649 P HD3 . 26577 1 559 . 1 1 67 67 PRO C C 13 176.996 0 . 1 . . . . . 649 P C . 26577 1 560 . 1 1 67 67 PRO CA C 13 63.869 0.007 . 1 . . . . . 649 P CA . 26577 1 561 . 1 1 67 67 PRO CB C 13 32.029 0.043 . 1 . . . . . 649 P CB . 26577 1 562 . 1 1 67 67 PRO CG C 13 27.216 0 . 1 . . . . . 649 P CG . 26577 1 563 . 1 1 67 67 PRO CD C 13 49.878 0.028 . 1 . . . . . 649 P CD . 26577 1 564 . 1 1 68 68 ASP H H 1 8.716 0.004 . 1 . . . . . 650 D H . 26577 1 565 . 1 1 68 68 ASP HA H 1 4.555 0.01 . 1 . . . . . 650 D HA . 26577 1 566 . 1 1 68 68 ASP HB2 H 1 2.767 0 . 2 . . . . . 650 D HB2 . 26577 1 567 . 1 1 68 68 ASP HB3 H 1 2.685 0 . 2 . . . . . 650 D HB3 . 26577 1 568 . 1 1 68 68 ASP C C 13 175.22 0.005 . 1 . . . . . 650 D C . 26577 1 569 . 1 1 68 68 ASP CA C 13 54.243 0.07 . 1 . . . . . 650 D CA . 26577 1 570 . 1 1 68 68 ASP CB C 13 40.203 0.026 . 1 . . . . . 650 D CB . 26577 1 571 . 1 1 68 68 ASP N N 15 116.414 0.03 . 1 . . . . . 650 D N . 26577 1 572 . 1 1 69 69 ILE H H 1 7.326 0.006 . 1 . . . . . 651 I H . 26577 1 573 . 1 1 69 69 ILE HA H 1 4.052 0.014 . 1 . . . . . 651 I HA . 26577 1 574 . 1 1 69 69 ILE HB H 1 1.833 0.018 . 1 . . . . . 651 I HB . 26577 1 575 . 1 1 69 69 ILE HG12 H 1 1.35 0.009 . 2 . . . . . 651 I HG12 . 26577 1 576 . 1 1 69 69 ILE HG13 H 1 1.003 0.001 . 2 . . . . . 651 I HG13 . 26577 1 577 . 1 1 69 69 ILE HG21 H 1 1.076 0.008 . 1 . . . . . 651 I HG2# . 26577 1 578 . 1 1 69 69 ILE HG22 H 1 1.076 0.008 . 1 . . . . . 651 I HG2# . 26577 1 579 . 1 1 69 69 ILE HG23 H 1 1.076 0.008 . 1 . . . . . 651 I HG2# . 26577 1 580 . 1 1 69 69 ILE HD11 H 1 0.569 0.003 . 1 . . . . . 651 I HD1# . 26577 1 581 . 1 1 69 69 ILE HD12 H 1 0.569 0.003 . 1 . . . . . 651 I HD1# . 26577 1 582 . 1 1 69 69 ILE HD13 H 1 0.569 0.003 . 1 . . . . . 651 I HD1# . 26577 1 583 . 1 1 69 69 ILE C C 13 175.719 0.007 . 1 . . . . . 651 I C . 26577 1 584 . 1 1 69 69 ILE CA C 13 61.686 0.1 . 1 . . . . . 651 I CA . 26577 1 585 . 1 1 69 69 ILE CB C 13 37.825 0.036 . 1 . . . . . 651 I CB . 26577 1 586 . 1 1 69 69 ILE CG1 C 13 27.489 0.01 . 1 . . . . . 651 I CG1 . 26577 1 587 . 1 1 69 69 ILE CG2 C 13 17.425 0.016 . 1 . . . . . 651 I CG2 . 26577 1 588 . 1 1 69 69 ILE CD1 C 13 12.283 0.013 . 1 . . . . . 651 I CD1 . 26577 1 589 . 1 1 69 69 ILE N N 15 121.58 0.024 . 1 . . . . . 651 I N . 26577 1 590 . 1 1 70 70 LYS H H 1 8.553 0.007 . 1 . . . . . 652 K H . 26577 1 591 . 1 1 70 70 LYS HA H 1 4.927 0.011 . 1 . . . . . 652 K HA . 26577 1 592 . 1 1 70 70 LYS HB2 H 1 1.8 0.002 . 2 . . . . . 652 K HB2 . 26577 1 593 . 1 1 70 70 LYS HB3 H 1 1.676 0.006 . 2 . . . . . 652 K HB3 . 26577 1 594 . 1 1 70 70 LYS HG2 H 1 1.421 0.006 . 2 . . . . . 652 K HG# . 26577 1 595 . 1 1 70 70 LYS HG3 H 1 1.421 0.006 . 2 . . . . . 652 K HG# . 26577 1 596 . 1 1 70 70 LYS HD2 H 1 1.695 0 . 2 . . . . . 652 K HD# . 26577 1 597 . 1 1 70 70 LYS HD3 H 1 1.695 0 . 2 . . . . . 652 K HD# . 26577 1 598 . 1 1 70 70 LYS HE2 H 1 3.004 0.001 . 2 . . . . . 652 K HE# . 26577 1 599 . 1 1 70 70 LYS HE3 H 1 3.004 0.001 . 2 . . . . . 652 K HE# . 26577 1 600 . 1 1 70 70 LYS C C 13 176.892 0.004 . 1 . . . . . 652 K C . 26577 1 601 . 1 1 70 70 LYS CA C 13 54.248 0.105 . 1 . . . . . 652 K CA . 26577 1 602 . 1 1 70 70 LYS CB C 13 34.774 0.033 . 1 . . . . . 652 K CB . 26577 1 603 . 1 1 70 70 LYS CG C 13 24.292 0 . 1 . . . . . 652 K CG . 26577 1 604 . 1 1 70 70 LYS CD C 13 29.035 0 . 1 . . . . . 652 K CD . 26577 1 605 . 1 1 70 70 LYS CE C 13 42.203 0 . 1 . . . . . 652 K CE . 26577 1 606 . 1 1 70 70 LYS N N 15 129.162 0.024 . 1 . . . . . 652 K N . 26577 1 607 . 1 1 71 71 THR H H 1 8.676 0.006 . 1 . . . . . 653 T H . 26577 1 608 . 1 1 71 71 THR HA H 1 4.83 0.006 . 1 . . . . . 653 T HA . 26577 1 609 . 1 1 71 71 THR HB H 1 4.496 0.007 . 1 . . . . . 653 T HB . 26577 1 610 . 1 1 71 71 THR HG21 H 1 1.601 0.007 . 1 . . . . . 653 T HG2# . 26577 1 611 . 1 1 71 71 THR HG22 H 1 1.601 0.007 . 1 . . . . . 653 T HG2# . 26577 1 612 . 1 1 71 71 THR HG23 H 1 1.601 0.007 . 1 . . . . . 653 T HG2# . 26577 1 613 . 1 1 71 71 THR C C 13 177.343 0.006 . 1 . . . . . 653 T C . 26577 1 614 . 1 1 71 71 THR CA C 13 62.007 0.098 . 1 . . . . . 653 T CA . 26577 1 615 . 1 1 71 71 THR CB C 13 70.216 0.075 . 1 . . . . . 653 T CB . 26577 1 616 . 1 1 71 71 THR CG2 C 13 23.769 0.029 . 1 . . . . . 653 T CG2 . 26577 1 617 . 1 1 71 71 THR N N 15 116.884 0.026 . 1 . . . . . 653 T N . 26577 1 618 . 1 1 72 72 VAL H H 1 9.251 0.005 . 1 . . . . . 654 V H . 26577 1 619 . 1 1 72 72 VAL HA H 1 3.687 0.009 . 1 . . . . . 654 V HA . 26577 1 620 . 1 1 72 72 VAL HB H 1 1.826 0.01 . 1 . . . . . 654 V HB . 26577 1 621 . 1 1 72 72 VAL HG11 H 1 0.798 0.006 . 1 . . . . . 654 V HG1# . 26577 1 622 . 1 1 72 72 VAL HG12 H 1 0.798 0.006 . 1 . . . . . 654 V HG1# . 26577 1 623 . 1 1 72 72 VAL HG13 H 1 0.798 0.006 . 1 . . . . . 654 V HG1# . 26577 1 624 . 1 1 72 72 VAL HG21 H 1 0.724 0.004 . 1 . . . . . 654 V HG2# . 26577 1 625 . 1 1 72 72 VAL HG22 H 1 0.724 0.004 . 1 . . . . . 654 V HG2# . 26577 1 626 . 1 1 72 72 VAL HG23 H 1 0.724 0.004 . 1 . . . . . 654 V HG2# . 26577 1 627 . 1 1 72 72 VAL C C 13 174.864 0.009 . 1 . . . . . 654 V C . 26577 1 628 . 1 1 72 72 VAL CA C 13 64.591 0.061 . 1 . . . . . 654 V CA . 26577 1 629 . 1 1 72 72 VAL CB C 13 31.453 0.02 . 1 . . . . . 654 V CB . 26577 1 630 . 1 1 72 72 VAL CG1 C 13 20.764 0.048 . 1 . . . . . 654 V CG1 . 26577 1 631 . 1 1 72 72 VAL CG2 C 13 19.499 0.03 . 1 . . . . . 654 V CG2 . 26577 1 632 . 1 1 72 72 VAL N N 15 120.166 0.033 . 1 . . . . . 654 V N . 26577 1 633 . 1 1 73 73 TRP H H 1 6.714 0.003 . 1 . . . . . 655 W H . 26577 1 634 . 1 1 73 73 TRP HA H 1 4.945 0.011 . 1 . . . . . 655 W HA . 26577 1 635 . 1 1 73 73 TRP HB2 H 1 3.437 0.003 . 2 . . . . . 655 W HB2 . 26577 1 636 . 1 1 73 73 TRP HB3 H 1 2.683 0.012 . 2 . . . . . 655 W HB3 . 26577 1 637 . 1 1 73 73 TRP HD1 H 1 7.298 0.01 . 1 . . . . . 655 W HD1 . 26577 1 638 . 1 1 73 73 TRP HE1 H 1 10.962 0.01 . 1 . . . . . 655 W HE1 . 26577 1 639 . 1 1 73 73 TRP HZ2 H 1 7.595 0.008 . 1 . . . . . 655 W HZ2 . 26577 1 640 . 1 1 73 73 TRP C C 13 175.801 0.007 . 1 . . . . . 655 W C . 26577 1 641 . 1 1 73 73 TRP CA C 13 54.85 0.032 . 1 . . . . . 655 W CA . 26577 1 642 . 1 1 73 73 TRP CB C 13 33.474 0.024 . 1 . . . . . 655 W CB . 26577 1 643 . 1 1 73 73 TRP CE2 C 13 139.558 0 . 1 . . . . . 655 W CE2 . 26577 1 644 . 1 1 73 73 TRP N N 15 115.256 0.032 . 1 . . . . . 655 W N . 26577 1 645 . 1 1 73 73 TRP NE1 N 15 130.162 0.007 . 1 . . . . . 655 W NE1 . 26577 1 646 . 1 1 74 74 GLU H H 1 9.022 0.01 . 1 . . . . . 656 E H . 26577 1 647 . 1 1 74 74 GLU HA H 1 4.319 0.012 . 1 . . . . . 656 E HA . 26577 1 648 . 1 1 74 74 GLU HB2 H 1 2.063 0.027 . 2 . . . . . 656 E HB# . 26577 1 649 . 1 1 74 74 GLU HB3 H 1 2.063 0.027 . 2 . . . . . 656 E HB# . 26577 1 650 . 1 1 74 74 GLU HG2 H 1 2.289 0.004 . 2 . . . . . 656 E HG# . 26577 1 651 . 1 1 74 74 GLU HG3 H 1 2.289 0.004 . 2 . . . . . 656 E HG# . 26577 1 652 . 1 1 74 74 GLU C C 13 174.852 0.007 . 1 . . . . . 656 E C . 26577 1 653 . 1 1 74 74 GLU CA C 13 56.608 0.05 . 1 . . . . . 656 E CA . 26577 1 654 . 1 1 74 74 GLU CB C 13 29.88 0 . 1 . . . . . 656 E CB . 26577 1 655 . 1 1 74 74 GLU CG C 13 36.153 0 . 1 . . . . . 656 E CG . 26577 1 656 . 1 1 74 74 GLU N N 15 124.543 0.037 . 1 . . . . . 656 E N . 26577 1 657 . 1 1 75 75 ASP H H 1 8.717 0.003 . 1 . . . . . 657 D H . 26577 1 658 . 1 1 75 75 ASP HA H 1 4.889 0.005 . 1 . . . . . 657 D HA . 26577 1 659 . 1 1 75 75 ASP HB2 H 1 3.079 0.007 . 2 . . . . . 657 D HB2 . 26577 1 660 . 1 1 75 75 ASP HB3 H 1 2.312 0.01 . 2 . . . . . 657 D HB3 . 26577 1 661 . 1 1 75 75 ASP C C 13 176.868 0.015 . 1 . . . . . 657 D C . 26577 1 662 . 1 1 75 75 ASP CA C 13 52.366 0.144 . 1 . . . . . 657 D CA . 26577 1 663 . 1 1 75 75 ASP CB C 13 42.828 0.02 . 1 . . . . . 657 D CB . 26577 1 664 . 1 1 75 75 ASP N N 15 124.781 0.012 . 1 . . . . . 657 D N . 26577 1 665 . 1 1 76 76 THR H H 1 8.761 0.015 . 1 . . . . . 658 T H . 26577 1 666 . 1 1 76 76 THR HA H 1 4.837 0.009 . 1 . . . . . 658 T HA . 26577 1 667 . 1 1 76 76 THR HB H 1 4.713 0.011 . 1 . . . . . 658 T HB . 26577 1 668 . 1 1 76 76 THR HG21 H 1 1.19 0.007 . 1 . . . . . 658 T HG2# . 26577 1 669 . 1 1 76 76 THR HG22 H 1 1.19 0.007 . 1 . . . . . 658 T HG2# . 26577 1 670 . 1 1 76 76 THR HG23 H 1 1.19 0.007 . 1 . . . . . 658 T HG2# . 26577 1 671 . 1 1 76 76 THR C C 13 175.609 0 . 1 . . . . . 658 T C . 26577 1 672 . 1 1 76 76 THR CA C 13 60.742 0.095 . 1 . . . . . 658 T CA . 26577 1 673 . 1 1 76 76 THR CB C 13 69.109 0.065 . 1 . . . . . 658 T CB . 26577 1 674 . 1 1 76 76 THR N N 15 115.347 0.018 . 1 . . . . . 658 T N . 26577 1 675 . 1 1 77 77 HIS H H 1 8.277 0.004 . 1 . . . . . 659 H H . 26577 1 676 . 1 1 77 77 HIS HA H 1 3.874 0.019 . 1 . . . . . 659 H HA . 26577 1 677 . 1 1 77 77 HIS HD2 H 1 5.99 0.007 . 1 . . . . . 659 H HD2 . 26577 1 678 . 1 1 77 77 HIS C C 13 178.043 0.008 . 1 . . . . . 659 H C . 26577 1 679 . 1 1 77 77 HIS CA C 13 61.128 0.031 . 1 . . . . . 659 H CA . 26577 1 680 . 1 1 77 77 HIS N N 15 122.548 0.102 . 1 . . . . . 659 H N . 26577 1 681 . 1 1 78 78 LEU H H 1 9.084 0.006 . 1 . . . . . 660 L H . 26577 1 682 . 1 1 78 78 LEU HA H 1 3.398 0.008 . 1 . . . . . 660 L HA . 26577 1 683 . 1 1 78 78 LEU HB2 H 1 2.166 0.011 . 2 . . . . . 660 L HB2 . 26577 1 684 . 1 1 78 78 LEU HB3 H 1 1.308 0.031 . 2 . . . . . 660 L HB3 . 26577 1 685 . 1 1 78 78 LEU HG H 1 1.394 0.004 . 1 . . . . . 660 L HG . 26577 1 686 . 1 1 78 78 LEU HD11 H 1 0.3 0.005 . 1 . . . . . 660 L HD1# . 26577 1 687 . 1 1 78 78 LEU HD12 H 1 0.3 0.005 . 1 . . . . . 660 L HD1# . 26577 1 688 . 1 1 78 78 LEU HD13 H 1 0.3 0.005 . 1 . . . . . 660 L HD1# . 26577 1 689 . 1 1 78 78 LEU HD21 H 1 0.896 0.009 . 1 . . . . . 660 L HD2# . 26577 1 690 . 1 1 78 78 LEU HD22 H 1 0.896 0.009 . 1 . . . . . 660 L HD2# . 26577 1 691 . 1 1 78 78 LEU HD23 H 1 0.896 0.009 . 1 . . . . . 660 L HD2# . 26577 1 692 . 1 1 78 78 LEU C C 13 177.736 0.031 . 1 . . . . . 660 L C . 26577 1 693 . 1 1 78 78 LEU CA C 13 57.564 0.072 . 1 . . . . . 660 L CA . 26577 1 694 . 1 1 78 78 LEU CB C 13 41.561 0.057 . 1 . . . . . 660 L CB . 26577 1 695 . 1 1 78 78 LEU CG C 13 26.489 0 . 1 . . . . . 660 L CG . 26577 1 696 . 1 1 78 78 LEU CD1 C 13 25.448 0.031 . 1 . . . . . 660 L CD1 . 26577 1 697 . 1 1 78 78 LEU CD2 C 13 22.323 0.033 . 1 . . . . . 660 L CD2 . 26577 1 698 . 1 1 78 78 LEU N N 15 119.046 0.04 . 1 . . . . . 660 L N . 26577 1 699 . 1 1 79 79 GLN H H 1 7.806 0.003 . 1 . . . . . 661 Q H . 26577 1 700 . 1 1 79 79 GLN HA H 1 4.399 0.006 . 1 . . . . . 661 Q HA . 26577 1 701 . 1 1 79 79 GLN HB2 H 1 2.058 0.008 . 2 . . . . . 661 Q HB2 . 26577 1 702 . 1 1 79 79 GLN HB3 H 1 1.782 0.005 . 2 . . . . . 661 Q HB3 . 26577 1 703 . 1 1 79 79 GLN HG2 H 1 2.596 0.007 . 2 . . . . . 661 Q HG2 . 26577 1 704 . 1 1 79 79 GLN HG3 H 1 2.276 0.002 . 2 . . . . . 661 Q HG3 . 26577 1 705 . 1 1 79 79 GLN C C 13 179.295 0.023 . 1 . . . . . 661 Q C . 26577 1 706 . 1 1 79 79 GLN CA C 13 57.989 0.08 . 1 . . . . . 661 Q CA . 26577 1 707 . 1 1 79 79 GLN CB C 13 27.816 0.155 . 1 . . . . . 661 Q CB . 26577 1 708 . 1 1 79 79 GLN CG C 13 32.557 0.087 . 1 . . . . . 661 Q CG . 26577 1 709 . 1 1 79 79 GLN N N 15 119.455 0.025 . 1 . . . . . 661 Q N . 26577 1 710 . 1 1 80 80 GLU H H 1 8.499 0.013 . 1 . . . . . 662 E H . 26577 1 711 . 1 1 80 80 GLU HA H 1 3.898 0.016 . 1 . . . . . 662 E HA . 26577 1 712 . 1 1 80 80 GLU HB2 H 1 1.954 0.01 . 2 . . . . . 662 E HB# . 26577 1 713 . 1 1 80 80 GLU HB3 H 1 1.954 0.01 . 2 . . . . . 662 E HB# . 26577 1 714 . 1 1 80 80 GLU HG2 H 1 2.31 0.013 . 2 . . . . . 662 E HG# . 26577 1 715 . 1 1 80 80 GLU HG3 H 1 2.31 0.013 . 2 . . . . . 662 E HG# . 26577 1 716 . 1 1 80 80 GLU C C 13 178.236 0.006 . 1 . . . . . 662 E C . 26577 1 717 . 1 1 80 80 GLU CA C 13 58.891 0.061 . 1 . . . . . 662 E CA . 26577 1 718 . 1 1 80 80 GLU CB C 13 29.621 0.043 . 1 . . . . . 662 E CB . 26577 1 719 . 1 1 80 80 GLU CG C 13 36.649 0 . 1 . . . . . 662 E CG . 26577 1 720 . 1 1 80 80 GLU N N 15 119.45 0.021 . 1 . . . . . 662 E N . 26577 1 721 . 1 1 81 81 THR H H 1 7.283 0.014 . 1 . . . . . 663 T H . 26577 1 722 . 1 1 81 81 THR HA H 1 4.119 0.006 . 1 . . . . . 663 T HA . 26577 1 723 . 1 1 81 81 THR HB H 1 4.106 0.002 . 1 . . . . . 663 T HB . 26577 1 724 . 1 1 81 81 THR HG21 H 1 0.806 0.008 . 1 . . . . . 663 T HG2# . 26577 1 725 . 1 1 81 81 THR HG22 H 1 0.806 0.008 . 1 . . . . . 663 T HG2# . 26577 1 726 . 1 1 81 81 THR HG23 H 1 0.806 0.008 . 1 . . . . . 663 T HG2# . 26577 1 727 . 1 1 81 81 THR C C 13 173.919 0 . 1 . . . . . 663 T C . 26577 1 728 . 1 1 81 81 THR CA C 13 60.953 0.074 . 1 . . . . . 663 T CA . 26577 1 729 . 1 1 81 81 THR CB C 13 69.629 0.191 . 1 . . . . . 663 T CB . 26577 1 730 . 1 1 81 81 THR CG2 C 13 20.699 0.011 . 1 . . . . . 663 T CG2 . 26577 1 731 . 1 1 81 81 THR N N 15 104.755 0.027 . 1 . . . . . 663 T N . 26577 1 732 . 1 1 82 82 GLN H H 1 7.149 0.003 . 1 . . . . . 664 Q H . 26577 1 733 . 1 1 82 82 GLN HA H 1 2.481 0.011 . 1 . . . . . 664 Q HA . 26577 1 734 . 1 1 82 82 GLN HB2 H 1 0.297 0.016 . 2 . . . . . 664 Q HB# . 26577 1 735 . 1 1 82 82 GLN HB3 H 1 0.297 0.016 . 2 . . . . . 664 Q HB# . 26577 1 736 . 1 1 82 82 GLN HG2 H 1 1.701 0.014 . 2 . . . . . 664 Q HG# . 26577 1 737 . 1 1 82 82 GLN HG3 H 1 1.701 0.014 . 2 . . . . . 664 Q HG# . 26577 1 738 . 1 1 82 82 GLN C C 13 173.138 0.019 . 1 . . . . . 664 Q C . 26577 1 739 . 1 1 82 82 GLN CA C 13 56.345 0.061 . 1 . . . . . 664 Q CA . 26577 1 740 . 1 1 82 82 GLN CB C 13 24.604 0.079 . 1 . . . . . 664 Q CB . 26577 1 741 . 1 1 82 82 GLN CG C 13 34.014 0.008 . 1 . . . . . 664 Q CG . 26577 1 742 . 1 1 82 82 GLN N N 15 119.845 0.006 . 1 . . . . . 664 Q N . 26577 1 743 . 1 1 83 83 GLY H H 1 8.628 0.009 . 1 . . . . . 665 G H . 26577 1 744 . 1 1 83 83 GLY HA2 H 1 3.709 0.01 . 2 . . . . . 665 G HA2 . 26577 1 745 . 1 1 83 83 GLY HA3 H 1 2.793 0.01 . 2 . . . . . 665 G HA3 . 26577 1 746 . 1 1 83 83 GLY C C 13 173.384 0 . 1 . . . . . 665 G C . 26577 1 747 . 1 1 83 83 GLY CA C 13 44.235 0.074 . 1 . . . . . 665 G CA . 26577 1 748 . 1 1 83 83 GLY N N 15 101.348 0.019 . 1 . . . . . 665 G N . 26577 1 749 . 1 1 84 84 GLY H H 1 7.186 0.006 . 1 . . . . . 666 G H . 26577 1 750 . 1 1 84 84 GLY HA2 H 1 4.306 0 . 2 . . . . . 666 G HA# . 26577 1 751 . 1 1 84 84 GLY HA3 H 1 4.306 0 . 2 . . . . . 666 G HA# . 26577 1 752 . 1 1 84 84 GLY C C 13 176.051 0.018 . 1 . . . . . 666 G C . 26577 1 753 . 1 1 84 84 GLY CA C 13 46.219 0.018 . 1 . . . . . 666 G CA . 26577 1 754 . 1 1 84 84 GLY N N 15 106.715 0.026 . 1 . . . . . 666 G N . 26577 1 755 . 1 1 85 85 ARG H H 1 8.596 0.015 . 1 . . . . . 667 R H . 26577 1 756 . 1 1 85 85 ARG HA H 1 4.033 0.01 . 1 . . . . . 667 R HA . 26577 1 757 . 1 1 85 85 ARG HB2 H 1 1.529 0 . 2 . . . . . 667 R HB2 . 26577 1 758 . 1 1 85 85 ARG HB3 H 1 1.176 0 . 2 . . . . . 667 R HB3 . 26577 1 759 . 1 1 85 85 ARG C C 13 176.213 0.044 . 1 . . . . . 667 R C . 26577 1 760 . 1 1 85 85 ARG CA C 13 56.875 0.021 . 1 . . . . . 667 R CA . 26577 1 761 . 1 1 85 85 ARG CB C 13 27.657 0.036 . 1 . . . . . 667 R CB . 26577 1 762 . 1 1 85 85 ARG N N 15 122.668 0.006 . 1 . . . . . 667 R N . 26577 1 763 . 1 1 86 86 TYR H H 1 7.169 0.008 . 1 . . . . . 668 Y H . 26577 1 764 . 1 1 86 86 TYR HA H 1 4.348 0.005 . 1 . . . . . 668 Y HA . 26577 1 765 . 1 1 86 86 TYR HB2 H 1 3.123 0 . 2 . . . . . 668 Y HB2 . 26577 1 766 . 1 1 86 86 TYR HB3 H 1 3.02 0.029 . 2 . . . . . 668 Y HB3 . 26577 1 767 . 1 1 86 86 TYR HD1 H 1 7.407 0.012 . 3 . . . . . 668 Y HD# . 26577 1 768 . 1 1 86 86 TYR HD2 H 1 7.407 0.012 . 3 . . . . . 668 Y HD# . 26577 1 769 . 1 1 86 86 TYR C C 13 178.678 0.003 . 1 . . . . . 668 Y C . 26577 1 770 . 1 1 86 86 TYR CA C 13 59.731 0.121 . 1 . . . . . 668 Y CA . 26577 1 771 . 1 1 86 86 TYR CB C 13 37.161 0.07 . 1 . . . . . 668 Y CB . 26577 1 772 . 1 1 86 86 TYR N N 15 123.128 0.025 . 1 . . . . . 668 Y N . 26577 1 773 . 1 1 87 87 ALA H H 1 7.054 0.001 . 1 . . . . . 669 A H . 26577 1 774 . 1 1 87 87 ALA HA H 1 4.195 0.006 . 1 . . . . . 669 A HA . 26577 1 775 . 1 1 87 87 ALA HB1 H 1 1.381 0.009 . 1 . . . . . 669 A HB# . 26577 1 776 . 1 1 87 87 ALA HB2 H 1 1.381 0.009 . 1 . . . . . 669 A HB# . 26577 1 777 . 1 1 87 87 ALA HB3 H 1 1.381 0.009 . 1 . . . . . 669 A HB# . 26577 1 778 . 1 1 87 87 ALA C C 13 179.041 0.005 . 1 . . . . . 669 A C . 26577 1 779 . 1 1 87 87 ALA CA C 13 54.523 0.083 . 1 . . . . . 669 A CA . 26577 1 780 . 1 1 87 87 ALA CB C 13 18.059 0.059 . 1 . . . . . 669 A CB . 26577 1 781 . 1 1 87 87 ALA N N 15 121.021 0.015 . 1 . . . . . 669 A N . 26577 1 782 . 1 1 88 88 GLN H H 1 7.144 0.001 . 1 . . . . . 670 Q H . 26577 1 783 . 1 1 88 88 GLN HA H 1 4.529 0.003 . 1 . . . . . 670 Q HA . 26577 1 784 . 1 1 88 88 GLN HB2 H 1 2.502 0.003 . 2 . . . . . 670 Q HB2 . 26577 1 785 . 1 1 88 88 GLN HB3 H 1 2.107 0.004 . 2 . . . . . 670 Q HB3 . 26577 1 786 . 1 1 88 88 GLN HG2 H 1 2.361 0.017 . 2 . . . . . 670 Q HG# . 26577 1 787 . 1 1 88 88 GLN HG3 H 1 2.361 0.017 . 2 . . . . . 670 Q HG# . 26577 1 788 . 1 1 88 88 GLN C C 13 176.33 0.007 . 1 . . . . . 670 Q C . 26577 1 789 . 1 1 88 88 GLN CA C 13 54.97 0.074 . 1 . . . . . 670 Q CA . 26577 1 790 . 1 1 88 88 GLN CB C 13 28.434 0.053 . 1 . . . . . 670 Q CB . 26577 1 791 . 1 1 88 88 GLN CG C 13 34.003 0 . 1 . . . . . 670 Q CG . 26577 1 792 . 1 1 88 88 GLN N N 15 113.306 0.011 . 1 . . . . . 670 Q N . 26577 1 793 . 1 1 89 89 GLY H H 1 8.343 0.004 . 1 . . . . . 671 G H . 26577 1 794 . 1 1 89 89 GLY HA2 H 1 4.325 0.007 . 2 . . . . . 671 G HA2 . 26577 1 795 . 1 1 89 89 GLY HA3 H 1 3.831 0.013 . 2 . . . . . 671 G HA3 . 26577 1 796 . 1 1 89 89 GLY C C 13 173.883 0 . 1 . . . . . 671 G C . 26577 1 797 . 1 1 89 89 GLY CA C 13 45.824 0.066 . 1 . . . . . 671 G CA . 26577 1 798 . 1 1 89 89 GLY N N 15 107.191 0.018 . 1 . . . . . 671 G N . 26577 1 799 . 1 1 90 90 GLU H H 1 7.122 0.011 . 1 . . . . . 672 E H . 26577 1 800 . 1 1 90 90 GLU HA H 1 4.244 0.006 . 1 . . . . . 672 E HA . 26577 1 801 . 1 1 90 90 GLU HB2 H 1 2.211 0.007 . 2 . . . . . 672 E HB# . 26577 1 802 . 1 1 90 90 GLU HB3 H 1 2.211 0.007 . 2 . . . . . 672 E HB# . 26577 1 803 . 1 1 90 90 GLU C C 13 174.122 0.007 . 1 . . . . . 672 E C . 26577 1 804 . 1 1 90 90 GLU CA C 13 57.146 0.013 . 1 . . . . . 672 E CA . 26577 1 805 . 1 1 90 90 GLU CB C 13 30.987 0 . 1 . . . . . 672 E CB . 26577 1 806 . 1 1 90 90 GLU N N 15 119.7 0.02 . 1 . . . . . 672 E N . 26577 1 807 . 1 1 91 91 ASN H H 1 7.925 0.002 . 1 . . . . . 673 N H . 26577 1 808 . 1 1 91 91 ASN HA H 1 5.482 0.016 . 1 . . . . . 673 N HA . 26577 1 809 . 1 1 91 91 ASN HB2 H 1 2.722 0.005 . 2 . . . . . 673 N HB# . 26577 1 810 . 1 1 91 91 ASN HB3 H 1 2.722 0.005 . 2 . . . . . 673 N HB# . 26577 1 811 . 1 1 91 91 ASN C C 13 175.19 0.013 . 1 . . . . . 673 N C . 26577 1 812 . 1 1 91 91 ASN CA C 13 51.367 0.038 . 1 . . . . . 673 N CA . 26577 1 813 . 1 1 91 91 ASN CB C 13 40.373 0 . 1 . . . . . 673 N CB . 26577 1 814 . 1 1 91 91 ASN N N 15 113.104 0.04 . 1 . . . . . 673 N N . 26577 1 815 . 1 1 92 92 PHE H H 1 9.307 0.008 . 1 . . . . . 674 F H . 26577 1 816 . 1 1 92 92 PHE HA H 1 5.233 0.012 . 1 . . . . . 674 F HA . 26577 1 817 . 1 1 92 92 PHE HB2 H 1 3.478 0.006 . 2 . . . . . 674 F HB2 . 26577 1 818 . 1 1 92 92 PHE HB3 H 1 3.124 0.01 . 2 . . . . . 674 F HB3 . 26577 1 819 . 1 1 92 92 PHE HD1 H 1 7.353 0.008 . 3 . . . . . 674 F HD# . 26577 1 820 . 1 1 92 92 PHE HD2 H 1 7.353 0.008 . 3 . . . . . 674 F HD# . 26577 1 821 . 1 1 92 92 PHE HE1 H 1 6.83 0 . 3 . . . . . 674 F HE# . 26577 1 822 . 1 1 92 92 PHE HE2 H 1 6.83 0 . 3 . . . . . 674 F HE# . 26577 1 823 . 1 1 92 92 PHE C C 13 173.286 0.003 . 1 . . . . . 674 F C . 26577 1 824 . 1 1 92 92 PHE CA C 13 56.783 0.028 . 1 . . . . . 674 F CA . 26577 1 825 . 1 1 92 92 PHE CB C 13 44.706 0.097 . 1 . . . . . 674 F CB . 26577 1 826 . 1 1 92 92 PHE N N 15 122.509 0.036 . 1 . . . . . 674 F N . 26577 1 827 . 1 1 93 93 VAL H H 1 8.151 0.012 . 1 . . . . . 675 V H . 26577 1 828 . 1 1 93 93 VAL HA H 1 3.841 0.012 . 1 . . . . . 675 V HA . 26577 1 829 . 1 1 93 93 VAL HB H 1 1.924 0.008 . 1 . . . . . 675 V HB . 26577 1 830 . 1 1 93 93 VAL HG11 H 1 0.866 0.008 . 1 . . . . . 675 V HG1# . 26577 1 831 . 1 1 93 93 VAL HG12 H 1 0.866 0.008 . 1 . . . . . 675 V HG1# . 26577 1 832 . 1 1 93 93 VAL HG13 H 1 0.866 0.008 . 1 . . . . . 675 V HG1# . 26577 1 833 . 1 1 93 93 VAL HG21 H 1 0.848 0.011 . 1 . . . . . 675 V HG2# . 26577 1 834 . 1 1 93 93 VAL HG22 H 1 0.848 0.011 . 1 . . . . . 675 V HG2# . 26577 1 835 . 1 1 93 93 VAL HG23 H 1 0.848 0.011 . 1 . . . . . 675 V HG2# . 26577 1 836 . 1 1 93 93 VAL C C 13 174.218 0.01 . 1 . . . . . 675 V C . 26577 1 837 . 1 1 93 93 VAL CA C 13 62.201 0.076 . 1 . . . . . 675 V CA . 26577 1 838 . 1 1 93 93 VAL CB C 13 33.681 0.047 . 1 . . . . . 675 V CB . 26577 1 839 . 1 1 93 93 VAL CG1 C 13 22.078 0.064 . 1 . . . . . 675 V CG1 . 26577 1 840 . 1 1 93 93 VAL CG2 C 13 21.391 0.045 . 1 . . . . . 675 V CG2 . 26577 1 841 . 1 1 93 93 VAL N N 15 127.055 0.038 . 1 . . . . . 675 V N . 26577 1 842 . 1 1 94 94 VAL H H 1 8.862 0.012 . 1 . . . . . 676 V H . 26577 1 843 . 1 1 94 94 VAL HA H 1 3.771 0.017 . 1 . . . . . 676 V HA . 26577 1 844 . 1 1 94 94 VAL HB H 1 0.787 0.01 . 1 . . . . . 676 V HB . 26577 1 845 . 1 1 94 94 VAL HG11 H 1 0.385 0.012 . 1 . . . . . 676 V HG1# . 26577 1 846 . 1 1 94 94 VAL HG12 H 1 0.385 0.012 . 1 . . . . . 676 V HG1# . 26577 1 847 . 1 1 94 94 VAL HG13 H 1 0.385 0.012 . 1 . . . . . 676 V HG1# . 26577 1 848 . 1 1 94 94 VAL HG21 H 1 -0.279 0.004 . 1 . . . . . 676 V HG2# . 26577 1 849 . 1 1 94 94 VAL HG22 H 1 -0.279 0.004 . 1 . . . . . 676 V HG2# . 26577 1 850 . 1 1 94 94 VAL HG23 H 1 -0.279 0.004 . 1 . . . . . 676 V HG2# . 26577 1 851 . 1 1 94 94 VAL C C 13 175.26 0.019 . 1 . . . . . 676 V C . 26577 1 852 . 1 1 94 94 VAL CA C 13 61.209 0.039 . 1 . . . . . 676 V CA . 26577 1 853 . 1 1 94 94 VAL CB C 13 33.075 0.052 . 1 . . . . . 676 V CB . 26577 1 854 . 1 1 94 94 VAL CG1 C 13 21.596 0.026 . 1 . . . . . 676 V CG1 . 26577 1 855 . 1 1 94 94 VAL CG2 C 13 21.232 0.032 . 1 . . . . . 676 V CG2 . 26577 1 856 . 1 1 94 94 VAL N N 15 128.475 0.032 . 1 . . . . . 676 V N . 26577 1 857 . 1 1 95 95 ASN H H 1 8.965 0.005 . 1 . . . . . 677 N H . 26577 1 858 . 1 1 95 95 ASN HA H 1 5.233 0.006 . 1 . . . . . 677 N HA . 26577 1 859 . 1 1 95 95 ASN HB2 H 1 2.949 0.004 . 2 . . . . . 677 N HB2 . 26577 1 860 . 1 1 95 95 ASN HB3 H 1 2.674 0.014 . 2 . . . . . 677 N HB3 . 26577 1 861 . 1 1 95 95 ASN C C 13 174.773 0.009 . 1 . . . . . 677 N C . 26577 1 862 . 1 1 95 95 ASN CA C 13 54.697 0.076 . 1 . . . . . 677 N CA . 26577 1 863 . 1 1 95 95 ASN CB C 13 38.272 0.008 . 1 . . . . . 677 N CB . 26577 1 864 . 1 1 95 95 ASN N N 15 129.79 0.021 . 1 . . . . . 677 N N . 26577 1 865 . 1 1 96 96 ASP H H 1 6.676 0.007 . 1 . . . . . 678 D H . 26577 1 866 . 1 1 96 96 ASP HA H 1 4.865 0.022 . 1 . . . . . 678 D HA . 26577 1 867 . 1 1 96 96 ASP HB2 H 1 2.789 0.095 . 2 . . . . . 678 D HB2 . 26577 1 868 . 1 1 96 96 ASP HB3 H 1 2.567 0.029 . 2 . . . . . 678 D HB3 . 26577 1 869 . 1 1 96 96 ASP C C 13 178.446 0.018 . 1 . . . . . 678 D C . 26577 1 870 . 1 1 96 96 ASP CA C 13 53.29 0.057 . 1 . . . . . 678 D CA . 26577 1 871 . 1 1 96 96 ASP CB C 13 42.364 0 . 1 . . . . . 678 D CB . 26577 1 872 . 1 1 96 96 ASP N N 15 113.62 0.03 . 1 . . . . . 678 D N . 26577 1 873 . 1 1 97 97 ILE H H 1 7.403 0.011 . 1 . . . . . 679 I H . 26577 1 874 . 1 1 97 97 ILE HA H 1 3.51 0.004 . 1 . . . . . 679 I HA . 26577 1 875 . 1 1 97 97 ILE HB H 1 1.645 0.012 . 1 . . . . . 679 I HB . 26577 1 876 . 1 1 97 97 ILE HG12 H 1 0.744 0.008 . 2 . . . . . 679 I HG12 . 26577 1 877 . 1 1 97 97 ILE HG13 H 1 0.012 0.01 . 2 . . . . . 679 I HG13 . 26577 1 878 . 1 1 97 97 ILE HG21 H 1 0.9 0.005 . 1 . . . . . 679 I HG2# . 26577 1 879 . 1 1 97 97 ILE HG22 H 1 0.9 0.005 . 1 . . . . . 679 I HG2# . 26577 1 880 . 1 1 97 97 ILE HG23 H 1 0.9 0.005 . 1 . . . . . 679 I HG2# . 26577 1 881 . 1 1 97 97 ILE HD11 H 1 0.604 0.012 . 1 . . . . . 679 I HD1# . 26577 1 882 . 1 1 97 97 ILE HD12 H 1 0.604 0.012 . 1 . . . . . 679 I HD1# . 26577 1 883 . 1 1 97 97 ILE HD13 H 1 0.604 0.012 . 1 . . . . . 679 I HD1# . 26577 1 884 . 1 1 97 97 ILE C C 13 174.662 0.017 . 1 . . . . . 679 I C . 26577 1 885 . 1 1 97 97 ILE CA C 13 64.62 0.07 . 1 . . . . . 679 I CA . 26577 1 886 . 1 1 97 97 ILE CB C 13 38.492 0.038 . 1 . . . . . 679 I CB . 26577 1 887 . 1 1 97 97 ILE CG1 C 13 25.118 0.009 . 1 . . . . . 679 I CG1 . 26577 1 888 . 1 1 97 97 ILE CG2 C 13 19.269 0.037 . 1 . . . . . 679 I CG2 . 26577 1 889 . 1 1 97 97 ILE CD1 C 13 15.291 0.035 . 1 . . . . . 679 I CD1 . 26577 1 890 . 1 1 97 97 ILE N N 15 118.654 0.019 . 1 . . . . . 679 I N . 26577 1 891 . 1 1 98 98 TYR H H 1 8.316 0.011 . 1 . . . . . 680 Y H . 26577 1 892 . 1 1 98 98 TYR HA H 1 4.391 0.01 . 1 . . . . . 680 Y HA . 26577 1 893 . 1 1 98 98 TYR HB2 H 1 3.338 0.005 . 2 . . . . . 680 Y HB# . 26577 1 894 . 1 1 98 98 TYR HB3 H 1 3.338 0.005 . 2 . . . . . 680 Y HB# . 26577 1 895 . 1 1 98 98 TYR HD1 H 1 7.354 0.014 . 3 . . . . . 680 Y HD# . 26577 1 896 . 1 1 98 98 TYR HD2 H 1 7.354 0.014 . 3 . . . . . 680 Y HD# . 26577 1 897 . 1 1 98 98 TYR HE1 H 1 6.811 0.015 . 3 . . . . . 680 Y HE# . 26577 1 898 . 1 1 98 98 TYR HE2 H 1 6.811 0.015 . 3 . . . . . 680 Y HE# . 26577 1 899 . 1 1 98 98 TYR C C 13 177.324 0.012 . 1 . . . . . 680 Y C . 26577 1 900 . 1 1 98 98 TYR CA C 13 59.664 0.119 . 1 . . . . . 680 Y CA . 26577 1 901 . 1 1 98 98 TYR CB C 13 37.558 0.072 . 1 . . . . . 680 Y CB . 26577 1 902 . 1 1 98 98 TYR N N 15 116.785 0.011 . 1 . . . . . 680 Y N . 26577 1 903 . 1 1 99 99 GLN H H 1 7.506 0.004 . 1 . . . . . 681 Q H . 26577 1 904 . 1 1 99 99 GLN HA H 1 4.762 0.001 . 1 . . . . . 681 Q HA . 26577 1 905 . 1 1 99 99 GLN C C 13 176.207 0.008 . 1 . . . . . 681 Q C . 26577 1 906 . 1 1 99 99 GLN CA C 13 55.037 0 . 1 . . . . . 681 Q CA . 26577 1 907 . 1 1 99 99 GLN CB C 13 30.261 0 . 1 . . . . . 681 Q CB . 26577 1 908 . 1 1 99 99 GLN N N 15 116.959 0.052 . 1 . . . . . 681 Q N . 26577 1 909 . 1 1 100 100 VAL H H 1 7.469 0.004 . 1 . . . . . 682 V H . 26577 1 910 . 1 1 100 100 VAL HA H 1 4.47 0.006 . 1 . . . . . 682 V HA . 26577 1 911 . 1 1 100 100 VAL HB H 1 2.157 0.003 . 1 . . . . . 682 V HB . 26577 1 912 . 1 1 100 100 VAL HG11 H 1 0.642 0.006 . 1 . . . . . 682 V HG1# . 26577 1 913 . 1 1 100 100 VAL HG12 H 1 0.642 0.006 . 1 . . . . . 682 V HG1# . 26577 1 914 . 1 1 100 100 VAL HG13 H 1 0.642 0.006 . 1 . . . . . 682 V HG1# . 26577 1 915 . 1 1 100 100 VAL HG21 H 1 0.099 0.006 . 1 . . . . . 682 V HG2# . 26577 1 916 . 1 1 100 100 VAL HG22 H 1 0.099 0.006 . 1 . . . . . 682 V HG2# . 26577 1 917 . 1 1 100 100 VAL HG23 H 1 0.099 0.006 . 1 . . . . . 682 V HG2# . 26577 1 918 . 1 1 100 100 VAL C C 13 175.702 0.004 . 1 . . . . . 682 V C . 26577 1 919 . 1 1 100 100 VAL CA C 13 61.241 0.044 . 1 . . . . . 682 V CA . 26577 1 920 . 1 1 100 100 VAL CB C 13 32.85 0.058 . 1 . . . . . 682 V CB . 26577 1 921 . 1 1 100 100 VAL CG1 C 13 21.47 0.039 . 1 . . . . . 682 V CG1 . 26577 1 922 . 1 1 100 100 VAL CG2 C 13 17.809 0.016 . 1 . . . . . 682 V CG2 . 26577 1 923 . 1 1 100 100 VAL N N 15 111.744 0.045 . 1 . . . . . 682 V N . 26577 1 924 . 1 1 101 101 GLY H H 1 8.465 0.005 . 1 . . . . . 683 G H . 26577 1 925 . 1 1 101 101 GLY HA2 H 1 4.063 0.015 . 2 . . . . . 683 G HA2 . 26577 1 926 . 1 1 101 101 GLY HA3 H 1 3.766 0.014 . 2 . . . . . 683 G HA3 . 26577 1 927 . 1 1 101 101 GLY C C 13 175.715 0.005 . 1 . . . . . 683 G C . 26577 1 928 . 1 1 101 101 GLY CA C 13 46.099 0.052 . 1 . . . . . 683 G CA . 26577 1 929 . 1 1 101 101 GLY N N 15 113.107 0.023 . 1 . . . . . 683 G N . 26577 1 930 . 1 1 102 102 HIS H H 1 8.671 0.004 . 1 . . . . . 684 H H . 26577 1 931 . 1 1 102 102 HIS HA H 1 5.219 0.008 . 1 . . . . . 684 H HA . 26577 1 932 . 1 1 102 102 HIS HB2 H 1 3.049 0.012 . 2 . . . . . 684 H HB# . 26577 1 933 . 1 1 102 102 HIS HB3 H 1 3.049 0.012 . 2 . . . . . 684 H HB# . 26577 1 934 . 1 1 102 102 HIS HD2 H 1 5.934 0.01 . 1 . . . . . 684 H HD2 . 26577 1 935 . 1 1 102 102 HIS C C 13 177.279 0.009 . 1 . . . . . 684 H C . 26577 1 936 . 1 1 102 102 HIS CA C 13 54.009 0.057 . 1 . . . . . 684 H CA . 26577 1 937 . 1 1 102 102 HIS CB C 13 31.751 0.048 . 1 . . . . . 684 H CB . 26577 1 938 . 1 1 102 102 HIS N N 15 120.558 0.016 . 1 . . . . . 684 H N . 26577 1 939 . 1 1 103 103 SER H H 1 9.768 0.005 . 1 . . . . . 685 S H . 26577 1 940 . 1 1 103 103 SER HB2 H 1 4.796 0 . 2 . . . . . 685 S HB# . 26577 1 941 . 1 1 103 103 SER HB3 H 1 4.796 0 . 2 . . . . . 685 S HB# . 26577 1 942 . 1 1 103 103 SER CA C 13 57.122 0 . 1 . . . . . 685 S CA . 26577 1 943 . 1 1 103 103 SER CB C 13 64.047 0 . 1 . . . . . 685 S CB . 26577 1 944 . 1 1 103 103 SER N N 15 117.991 0.052 . 1 . . . . . 685 S N . 26577 1 945 . 1 1 104 104 PRO HA H 1 4.28 0.01 . 1 . . . . . 686 P HA . 26577 1 946 . 1 1 104 104 PRO HB2 H 1 2.439 0.002 . 2 . . . . . 686 P HB2 . 26577 1 947 . 1 1 104 104 PRO HB3 H 1 1.984 0 . 2 . . . . . 686 P HB3 . 26577 1 948 . 1 1 104 104 PRO C C 13 178.619 0 . 1 . . . . . 686 P C . 26577 1 949 . 1 1 104 104 PRO CA C 13 66.353 0.06 . 1 . . . . . 686 P CA . 26577 1 950 . 1 1 104 104 PRO CB C 13 31.69 0 . 1 . . . . . 686 P CB . 26577 1 951 . 1 1 105 105 CYS H H 1 7.963 0.011 . 1 . . . . . 687 C H . 26577 1 952 . 1 1 105 105 CYS HA H 1 3.901 0.021 . 1 . . . . . 687 C HA . 26577 1 953 . 1 1 105 105 CYS HB2 H 1 2.585 0.011 . 2 . . . . . 687 C HB# . 26577 1 954 . 1 1 105 105 CYS HB3 H 1 2.585 0.011 . 2 . . . . . 687 C HB# . 26577 1 955 . 1 1 105 105 CYS C C 13 176.245 0.022 . 1 . . . . . 687 C C . 26577 1 956 . 1 1 105 105 CYS CA C 13 58.391 0.068 . 1 . . . . . 687 C CA . 26577 1 957 . 1 1 105 105 CYS CB C 13 29.451 0.002 . 1 . . . . . 687 C CB . 26577 1 958 . 1 1 105 105 CYS N N 15 111.425 0.017 . 1 . . . . . 687 C N . 26577 1 959 . 1 1 106 106 HIS H H 1 7.397 0.005 . 1 . . . . . 688 H H . 26577 1 960 . 1 1 106 106 HIS HA H 1 4.249 0.023 . 1 . . . . . 688 H HA . 26577 1 961 . 1 1 106 106 HIS HB2 H 1 2.862 0.002 . 2 . . . . . 688 H HB# . 26577 1 962 . 1 1 106 106 HIS HB3 H 1 2.862 0.002 . 2 . . . . . 688 H HB# . 26577 1 963 . 1 1 106 106 HIS HD2 H 1 6.338 0.008 . 1 . . . . . 688 H HD2 . 26577 1 964 . 1 1 106 106 HIS C C 13 177.707 0.006 . 1 . . . . . 688 H C . 26577 1 965 . 1 1 106 106 HIS CA C 13 56.451 0.069 . 1 . . . . . 688 H CA . 26577 1 966 . 1 1 106 106 HIS CB C 13 34.017 0.038 . 1 . . . . . 688 H CB . 26577 1 967 . 1 1 106 106 HIS N N 15 122.718 0.031 . 1 . . . . . 688 H N . 26577 1 968 . 1 1 107 107 ILE H H 1 8.004 0.01 . 1 . . . . . 689 I H . 26577 1 969 . 1 1 107 107 ILE HA H 1 3.487 0.013 . 1 . . . . . 689 I HA . 26577 1 970 . 1 1 107 107 ILE HB H 1 2.129 0.003 . 1 . . . . . 689 I HB . 26577 1 971 . 1 1 107 107 ILE HG12 H 1 1.591 0.011 . 2 . . . . . 689 I HG12 . 26577 1 972 . 1 1 107 107 ILE HG13 H 1 1.052 0.003 . 2 . . . . . 689 I HG13 . 26577 1 973 . 1 1 107 107 ILE HG21 H 1 0.922 0.003 . 1 . . . . . 689 I HG2# . 26577 1 974 . 1 1 107 107 ILE HG22 H 1 0.922 0.003 . 1 . . . . . 689 I HG2# . 26577 1 975 . 1 1 107 107 ILE HG23 H 1 0.922 0.003 . 1 . . . . . 689 I HG2# . 26577 1 976 . 1 1 107 107 ILE HD11 H 1 0.763 0.003 . 1 . . . . . 689 I HD1# . 26577 1 977 . 1 1 107 107 ILE HD12 H 1 0.763 0.003 . 1 . . . . . 689 I HD1# . 26577 1 978 . 1 1 107 107 ILE HD13 H 1 0.763 0.003 . 1 . . . . . 689 I HD1# . 26577 1 979 . 1 1 107 107 ILE C C 13 177.512 0 . 1 . . . . . 689 I C . 26577 1 980 . 1 1 107 107 ILE CA C 13 64.651 0.051 . 1 . . . . . 689 I CA . 26577 1 981 . 1 1 107 107 ILE CB C 13 36.926 0.007 . 1 . . . . . 689 I CB . 26577 1 982 . 1 1 107 107 ILE CG1 C 13 28.766 0.035 . 1 . . . . . 689 I CG1 . 26577 1 983 . 1 1 107 107 ILE CG2 C 13 18.086 0.04 . 1 . . . . . 689 I CG2 . 26577 1 984 . 1 1 107 107 ILE CD1 C 13 12.035 0.015 . 1 . . . . . 689 I CD1 . 26577 1 985 . 1 1 107 107 ILE N N 15 118.426 0.001 . 1 . . . . . 689 I N . 26577 1 986 . 1 1 108 108 GLU H H 1 8.352 0.009 . 1 . . . . . 690 E H . 26577 1 987 . 1 1 108 108 GLU HA H 1 4.174 0.009 . 1 . . . . . 690 E HA . 26577 1 988 . 1 1 108 108 GLU HB2 H 1 2.246 0.011 . 2 . . . . . 690 E HB# . 26577 1 989 . 1 1 108 108 GLU HB3 H 1 2.246 0.011 . 2 . . . . . 690 E HB# . 26577 1 990 . 1 1 108 108 GLU HG2 H 1 2.702 0.003 . 2 . . . . . 690 E HG# . 26577 1 991 . 1 1 108 108 GLU HG3 H 1 2.702 0.003 . 2 . . . . . 690 E HG# . 26577 1 992 . 1 1 108 108 GLU C C 13 180.118 0.013 . 1 . . . . . 690 E C . 26577 1 993 . 1 1 108 108 GLU CA C 13 60.794 0.074 . 1 . . . . . 690 E CA . 26577 1 994 . 1 1 108 108 GLU CB C 13 29.673 0.029 . 1 . . . . . 690 E CB . 26577 1 995 . 1 1 108 108 GLU CG C 13 38.073 0.012 . 1 . . . . . 690 E CG . 26577 1 996 . 1 1 108 108 GLU N N 15 117.287 0.025 . 1 . . . . . 690 E N . 26577 1 997 . 1 1 109 109 ILE H H 1 7.629 0.006 . 1 . . . . . 691 I H . 26577 1 998 . 1 1 109 109 ILE HA H 1 4.157 0.014 . 1 . . . . . 691 I HA . 26577 1 999 . 1 1 109 109 ILE HB H 1 2.056 0.006 . 1 . . . . . 691 I HB . 26577 1 1000 . 1 1 109 109 ILE HG12 H 1 2.302 0.016 . 2 . . . . . 691 I HG12 . 26577 1 1001 . 1 1 109 109 ILE HG13 H 1 1.25 0.012 . 2 . . . . . 691 I HG13 . 26577 1 1002 . 1 1 109 109 ILE HG21 H 1 0.922 0.009 . 1 . . . . . 691 I HG2# . 26577 1 1003 . 1 1 109 109 ILE HG22 H 1 0.922 0.009 . 1 . . . . . 691 I HG2# . 26577 1 1004 . 1 1 109 109 ILE HG23 H 1 0.922 0.009 . 1 . . . . . 691 I HG2# . 26577 1 1005 . 1 1 109 109 ILE HD11 H 1 1.037 0.013 . 1 . . . . . 691 I HD1# . 26577 1 1006 . 1 1 109 109 ILE HD12 H 1 1.037 0.013 . 1 . . . . . 691 I HD1# . 26577 1 1007 . 1 1 109 109 ILE HD13 H 1 1.037 0.013 . 1 . . . . . 691 I HD1# . 26577 1 1008 . 1 1 109 109 ILE C C 13 176.62 0 . 1 . . . . . 691 I C . 26577 1 1009 . 1 1 109 109 ILE CA C 13 65.921 0.049 . 1 . . . . . 691 I CA . 26577 1 1010 . 1 1 109 109 ILE CB C 13 38.911 0.063 . 1 . . . . . 691 I CB . 26577 1 1011 . 1 1 109 109 ILE CG1 C 13 29.589 0.012 . 1 . . . . . 691 I CG1 . 26577 1 1012 . 1 1 109 109 ILE CG2 C 13 17.624 0.068 . 1 . . . . . 691 I CG2 . 26577 1 1013 . 1 1 109 109 ILE CD1 C 13 15.304 0.009 . 1 . . . . . 691 I CD1 . 26577 1 1014 . 1 1 109 109 ILE N N 15 119.92 0.032 . 1 . . . . . 691 I N . 26577 1 1015 . 1 1 110 110 LEU H H 1 8.022 0.011 . 1 . . . . . 692 L H . 26577 1 1016 . 1 1 110 110 LEU HA H 1 3.932 0.013 . 1 . . . . . 692 L HA . 26577 1 1017 . 1 1 110 110 LEU HB2 H 1 2.081 0.014 . 2 . . . . . 692 L HB2 . 26577 1 1018 . 1 1 110 110 LEU HB3 H 1 1.211 0 . 2 . . . . . 692 L HB3 . 26577 1 1019 . 1 1 110 110 LEU HD11 H 1 0.57 0.006 . 1 . . . . . 692 L HD1# . 26577 1 1020 . 1 1 110 110 LEU HD12 H 1 0.57 0.006 . 1 . . . . . 692 L HD1# . 26577 1 1021 . 1 1 110 110 LEU HD13 H 1 0.57 0.006 . 1 . . . . . 692 L HD1# . 26577 1 1022 . 1 1 110 110 LEU HD21 H 1 0.747 0.009 . 1 . . . . . 692 L HD2# . 26577 1 1023 . 1 1 110 110 LEU HD22 H 1 0.747 0.009 . 1 . . . . . 692 L HD2# . 26577 1 1024 . 1 1 110 110 LEU HD23 H 1 0.747 0.009 . 1 . . . . . 692 L HD2# . 26577 1 1025 . 1 1 110 110 LEU C C 13 179.914 0.022 . 1 . . . . . 692 L C . 26577 1 1026 . 1 1 110 110 LEU CA C 13 58.744 0 . 1 . . . . . 692 L CA . 26577 1 1027 . 1 1 110 110 LEU CB C 13 41.327 0.033 . 1 . . . . . 692 L CB . 26577 1 1028 . 1 1 110 110 LEU CD1 C 13 26.56 0.024 . 1 . . . . . 692 L CD1 . 26577 1 1029 . 1 1 110 110 LEU CD2 C 13 23.874 0.031 . 1 . . . . . 692 L CD2 . 26577 1 1030 . 1 1 110 110 LEU N N 15 120.059 0.028 . 1 . . . . . 692 L N . 26577 1 1031 . 1 1 111 111 GLU H H 1 9.198 0.009 . 1 . . . . . 693 E H . 26577 1 1032 . 1 1 111 111 GLU HA H 1 3.976 0.008 . 1 . . . . . 693 E HA . 26577 1 1033 . 1 1 111 111 GLU C C 13 181.154 0.01 . 1 . . . . . 693 E C . 26577 1 1034 . 1 1 111 111 GLU CA C 13 59.039 0.027 . 1 . . . . . 693 E CA . 26577 1 1035 . 1 1 111 111 GLU CB C 13 29.834 0 . 1 . . . . . 693 E CB . 26577 1 1036 . 1 1 111 111 GLU N N 15 118.338 0.04 . 1 . . . . . 693 E N . 26577 1 1037 . 1 1 112 112 GLN H H 1 7.935 0.007 . 1 . . . . . 694 Q H . 26577 1 1038 . 1 1 112 112 GLN HA H 1 3.746 0.018 . 1 . . . . . 694 Q HA . 26577 1 1039 . 1 1 112 112 GLN HB2 H 1 1.92 0.005 . 2 . . . . . 694 Q HB# . 26577 1 1040 . 1 1 112 112 GLN HB3 H 1 1.92 0.005 . 2 . . . . . 694 Q HB# . 26577 1 1041 . 1 1 112 112 GLN HG2 H 1 2.416 0.003 . 2 . . . . . 694 Q HG# . 26577 1 1042 . 1 1 112 112 GLN HG3 H 1 2.416 0.003 . 2 . . . . . 694 Q HG# . 26577 1 1043 . 1 1 112 112 GLN C C 13 176.456 0.001 . 1 . . . . . 694 Q C . 26577 1 1044 . 1 1 112 112 GLN CA C 13 58.903 0.072 . 1 . . . . . 694 Q CA . 26577 1 1045 . 1 1 112 112 GLN CB C 13 26.398 0.024 . 1 . . . . . 694 Q CB . 26577 1 1046 . 1 1 112 112 GLN N N 15 123.778 0.021 . 1 . . . . . 694 Q N . 26577 1 1047 . 1 1 113 113 PHE H H 1 6.828 0.013 . 1 . . . . . 695 F H . 26577 1 1048 . 1 1 113 113 PHE HA H 1 4.462 0.011 . 1 . . . . . 695 F HA . 26577 1 1049 . 1 1 113 113 PHE HB2 H 1 2.98 0.007 . 2 . . . . . 695 F HB2 . 26577 1 1050 . 1 1 113 113 PHE HB3 H 1 2.16 0.004 . 2 . . . . . 695 F HB3 . 26577 1 1051 . 1 1 113 113 PHE HD1 H 1 7.096 0.008 . 3 . . . . . 695 F HD# . 26577 1 1052 . 1 1 113 113 PHE HD2 H 1 7.096 0.008 . 3 . . . . . 695 F HD# . 26577 1 1053 . 1 1 113 113 PHE HE1 H 1 7.31 0.012 . 3 . . . . . 695 F HE# . 26577 1 1054 . 1 1 113 113 PHE HE2 H 1 7.31 0.012 . 3 . . . . . 695 F HE# . 26577 1 1055 . 1 1 113 113 PHE HZ H 1 6.912 0.004 . 1 . . . . . 695 F HZ . 26577 1 1056 . 1 1 113 113 PHE C C 13 174.071 0.015 . 1 . . . . . 695 F C . 26577 1 1057 . 1 1 113 113 PHE CA C 13 57.592 0.064 . 1 . . . . . 695 F CA . 26577 1 1058 . 1 1 113 113 PHE CB C 13 38.235 0.012 . 1 . . . . . 695 F CB . 26577 1 1059 . 1 1 113 113 PHE N N 15 112.887 0.023 . 1 . . . . . 695 F N . 26577 1 1060 . 1 1 114 114 GLU H H 1 7.974 0.007 . 1 . . . . . 696 E H . 26577 1 1061 . 1 1 114 114 GLU HA H 1 3.822 0.005 . 1 . . . . . 696 E HA . 26577 1 1062 . 1 1 114 114 GLU C C 13 173.577 0.021 . 1 . . . . . 696 E C . 26577 1 1063 . 1 1 114 114 GLU CA C 13 58.019 0.083 . 1 . . . . . 696 E CA . 26577 1 1064 . 1 1 114 114 GLU CB C 13 26.456 0 . 1 . . . . . 696 E CB . 26577 1 1065 . 1 1 114 114 GLU N N 15 114.43 0.014 . 1 . . . . . 696 E N . 26577 1 1066 . 1 1 115 115 VAL H H 1 7.766 0.003 . 1 . . . . . 697 V H . 26577 1 1067 . 1 1 115 115 VAL HA H 1 3.564 0.009 . 1 . . . . . 697 V HA . 26577 1 1068 . 1 1 115 115 VAL HB H 1 1.883 0.006 . 1 . . . . . 697 V HB . 26577 1 1069 . 1 1 115 115 VAL HG11 H 1 1.226 0.009 . 1 . . . . . 697 V HG1# . 26577 1 1070 . 1 1 115 115 VAL HG12 H 1 1.226 0.009 . 1 . . . . . 697 V HG1# . 26577 1 1071 . 1 1 115 115 VAL HG13 H 1 1.226 0.009 . 1 . . . . . 697 V HG1# . 26577 1 1072 . 1 1 115 115 VAL HG21 H 1 0.827 0.004 . 1 . . . . . 697 V HG2# . 26577 1 1073 . 1 1 115 115 VAL HG22 H 1 0.827 0.004 . 1 . . . . . 697 V HG2# . 26577 1 1074 . 1 1 115 115 VAL HG23 H 1 0.827 0.004 . 1 . . . . . 697 V HG2# . 26577 1 1075 . 1 1 115 115 VAL C C 13 177.003 0.008 . 1 . . . . . 697 V C . 26577 1 1076 . 1 1 115 115 VAL CA C 13 64.47 0.017 . 1 . . . . . 697 V CA . 26577 1 1077 . 1 1 115 115 VAL CB C 13 33.255 0 . 1 . . . . . 697 V CB . 26577 1 1078 . 1 1 115 115 VAL CG1 C 13 24.796 0.036 . 1 . . . . . 697 V CG1 . 26577 1 1079 . 1 1 115 115 VAL CG2 C 13 22.806 0.039 . 1 . . . . . 697 V CG2 . 26577 1 1080 . 1 1 115 115 VAL N N 15 117.102 0.024 . 1 . . . . . 697 V N . 26577 1 1081 . 1 1 116 116 LYS H H 1 9.153 0.008 . 1 . . . . . 698 K H . 26577 1 1082 . 1 1 116 116 LYS HA H 1 4.632 0 . 1 . . . . . 698 K HA . 26577 1 1083 . 1 1 116 116 LYS C C 13 176.795 0.019 . 1 . . . . . 698 K C . 26577 1 1084 . 1 1 116 116 LYS CA C 13 56.221 0 . 1 . . . . . 698 K CA . 26577 1 1085 . 1 1 116 116 LYS CB C 13 33.898 0 . 1 . . . . . 698 K CB . 26577 1 1086 . 1 1 116 116 LYS N N 15 121.098 0.022 . 1 . . . . . 698 K N . 26577 1 1087 . 1 1 117 117 ALA H H 1 8.661 0.009 . 1 . . . . . 699 A H . 26577 1 1088 . 1 1 117 117 ALA HA H 1 4.558 0.008 . 1 . . . . . 699 A HA . 26577 1 1089 . 1 1 117 117 ALA HB1 H 1 1.823 0.011 . 1 . . . . . 699 A HB# . 26577 1 1090 . 1 1 117 117 ALA HB2 H 1 1.823 0.011 . 1 . . . . . 699 A HB# . 26577 1 1091 . 1 1 117 117 ALA HB3 H 1 1.823 0.011 . 1 . . . . . 699 A HB# . 26577 1 1092 . 1 1 117 117 ALA C C 13 175.965 0.005 . 1 . . . . . 699 A C . 26577 1 1093 . 1 1 117 117 ALA CA C 13 52.869 0.088 . 1 . . . . . 699 A CA . 26577 1 1094 . 1 1 117 117 ALA CB C 13 23.978 0.037 . 1 . . . . . 699 A CB . 26577 1 1095 . 1 1 117 117 ALA N N 15 123.995 0.036 . 1 . . . . . 699 A N . 26577 1 1096 . 1 1 118 118 TYR H H 1 9.837 0.009 . 1 . . . . . 700 Y H . 26577 1 1097 . 1 1 118 118 TYR HA H 1 5.781 0.008 . 1 . . . . . 700 Y HA . 26577 1 1098 . 1 1 118 118 TYR HB2 H 1 3.398 0.016 . 2 . . . . . 700 Y HB2 . 26577 1 1099 . 1 1 118 118 TYR HB3 H 1 2.389 0.001 . 2 . . . . . 700 Y HB3 . 26577 1 1100 . 1 1 118 118 TYR HD1 H 1 6.651 0.021 . 3 . . . . . 700 Y HD# . 26577 1 1101 . 1 1 118 118 TYR HD2 H 1 6.651 0.021 . 3 . . . . . 700 Y HD# . 26577 1 1102 . 1 1 118 118 TYR HE1 H 1 6.703 0.019 . 3 . . . . . 700 Y HE# . 26577 1 1103 . 1 1 118 118 TYR HE2 H 1 6.703 0.019 . 3 . . . . . 700 Y HE# . 26577 1 1104 . 1 1 118 118 TYR C C 13 170.561 0.021 . 1 . . . . . 700 Y C . 26577 1 1105 . 1 1 118 118 TYR CA C 13 57.672 0.088 . 1 . . . . . 700 Y CA . 26577 1 1106 . 1 1 118 118 TYR CB C 13 41.832 0.034 . 1 . . . . . 700 Y CB . 26577 1 1107 . 1 1 118 118 TYR N N 15 118.063 0.025 . 1 . . . . . 700 Y N . 26577 1 1108 . 1 1 119 119 VAL H H 1 8.501 0.009 . 1 . . . . . 701 V H . 26577 1 1109 . 1 1 119 119 VAL HA H 1 4.697 0.007 . 1 . . . . . 701 V HA . 26577 1 1110 . 1 1 119 119 VAL HB H 1 0.865 0.012 . 1 . . . . . 701 V HB . 26577 1 1111 . 1 1 119 119 VAL HG11 H 1 0.363 0.007 . 1 . . . . . 701 V HG1# . 26577 1 1112 . 1 1 119 119 VAL HG12 H 1 0.363 0.007 . 1 . . . . . 701 V HG1# . 26577 1 1113 . 1 1 119 119 VAL HG13 H 1 0.363 0.007 . 1 . . . . . 701 V HG1# . 26577 1 1114 . 1 1 119 119 VAL HG21 H 1 -0.476 0.01 . 1 . . . . . 701 V HG2# . 26577 1 1115 . 1 1 119 119 VAL HG22 H 1 -0.476 0.01 . 1 . . . . . 701 V HG2# . 26577 1 1116 . 1 1 119 119 VAL HG23 H 1 -0.476 0.01 . 1 . . . . . 701 V HG2# . 26577 1 1117 . 1 1 119 119 VAL C C 13 173.207 0.017 . 1 . . . . . 701 V C . 26577 1 1118 . 1 1 119 119 VAL CA C 13 59.709 0.065 . 1 . . . . . 701 V CA . 26577 1 1119 . 1 1 119 119 VAL CB C 13 35.125 0.067 . 1 . . . . . 701 V CB . 26577 1 1120 . 1 1 119 119 VAL CG1 C 13 21.933 0.036 . 1 . . . . . 701 V CG1 . 26577 1 1121 . 1 1 119 119 VAL CG2 C 13 20.47 0.013 . 1 . . . . . 701 V CG2 . 26577 1 1122 . 1 1 119 119 VAL N N 15 117.83 0.026 . 1 . . . . . 701 V N . 26577 1 1123 . 1 1 120 120 ILE H H 1 9.133 0.008 . 1 . . . . . 702 I H . 26577 1 1124 . 1 1 120 120 ILE HA H 1 4.98 0.007 . 1 . . . . . 702 I HA . 26577 1 1125 . 1 1 120 120 ILE HB H 1 2.516 0.012 . 1 . . . . . 702 I HB . 26577 1 1126 . 1 1 120 120 ILE HG12 H 1 1.808 0.005 . 2 . . . . . 702 I HG1# . 26577 1 1127 . 1 1 120 120 ILE HG13 H 1 1.808 0.005 . 2 . . . . . 702 I HG1# . 26577 1 1128 . 1 1 120 120 ILE HG21 H 1 0.57 0.004 . 1 . . . . . 702 I HG2# . 26577 1 1129 . 1 1 120 120 ILE HG22 H 1 0.57 0.004 . 1 . . . . . 702 I HG2# . 26577 1 1130 . 1 1 120 120 ILE HG23 H 1 0.57 0.004 . 1 . . . . . 702 I HG2# . 26577 1 1131 . 1 1 120 120 ILE HD11 H 1 0.706 0.008 . 1 . . . . . 702 I HD1# . 26577 1 1132 . 1 1 120 120 ILE HD12 H 1 0.706 0.008 . 1 . . . . . 702 I HD1# . 26577 1 1133 . 1 1 120 120 ILE HD13 H 1 0.706 0.008 . 1 . . . . . 702 I HD1# . 26577 1 1134 . 1 1 120 120 ILE C C 13 175.799 0.005 . 1 . . . . . 702 I C . 26577 1 1135 . 1 1 120 120 ILE CA C 13 58.135 0.067 . 1 . . . . . 702 I CA . 26577 1 1136 . 1 1 120 120 ILE CB C 13 38.69 0.016 . 1 . . . . . 702 I CB . 26577 1 1137 . 1 1 120 120 ILE CG1 C 13 27 0 . 1 . . . . . 702 I CG1 . 26577 1 1138 . 1 1 120 120 ILE CG2 C 13 20.637 0.023 . 1 . . . . . 702 I CG2 . 26577 1 1139 . 1 1 120 120 ILE CD1 C 13 10.898 0.025 . 1 . . . . . 702 I CD1 . 26577 1 1140 . 1 1 120 120 ILE N N 15 125.06 0.037 . 1 . . . . . 702 I N . 26577 1 1141 . 1 1 121 121 VAL H H 1 8.761 0.019 . 1 . . . . . 703 V H . 26577 1 1142 . 1 1 121 121 VAL HA H 1 5.502 0.012 . 1 . . . . . 703 V HA . 26577 1 1143 . 1 1 121 121 VAL HB H 1 2.47 0.005 . 1 . . . . . 703 V HB . 26577 1 1144 . 1 1 121 121 VAL HG11 H 1 0.811 0.005 . 1 . . . . . 703 V HG1# . 26577 1 1145 . 1 1 121 121 VAL HG12 H 1 0.811 0.005 . 1 . . . . . 703 V HG1# . 26577 1 1146 . 1 1 121 121 VAL HG13 H 1 0.811 0.005 . 1 . . . . . 703 V HG1# . 26577 1 1147 . 1 1 121 121 VAL HG21 H 1 0.923 0.005 . 1 . . . . . 703 V HG2# . 26577 1 1148 . 1 1 121 121 VAL HG22 H 1 0.923 0.005 . 1 . . . . . 703 V HG2# . 26577 1 1149 . 1 1 121 121 VAL HG23 H 1 0.923 0.005 . 1 . . . . . 703 V HG2# . 26577 1 1150 . 1 1 121 121 VAL C C 13 173.069 0 . 1 . . . . . 703 V C . 26577 1 1151 . 1 1 121 121 VAL CA C 13 56.894 0.077 . 1 . . . . . 703 V CA . 26577 1 1152 . 1 1 121 121 VAL CB C 13 32.287 0.085 . 1 . . . . . 703 V CB . 26577 1 1153 . 1 1 121 121 VAL CG1 C 13 20.526 0.089 . 1 . . . . . 703 V CG1 . 26577 1 1154 . 1 1 121 121 VAL CG2 C 13 19.8 0.034 . 1 . . . . . 703 V CG2 . 26577 1 1155 . 1 1 121 121 VAL N N 15 117.284 0.025 . 1 . . . . . 703 V N . 26577 1 1156 . 1 1 122 122 PRO HA H 1 4.712 0.009 . 1 . . . . . 704 P HA . 26577 1 1157 . 1 1 122 122 PRO HB2 H 1 2.349 0.007 . 2 . . . . . 704 P HB2 . 26577 1 1158 . 1 1 122 122 PRO HB3 H 1 1.983 0.006 . 2 . . . . . 704 P HB3 . 26577 1 1159 . 1 1 122 122 PRO HD2 H 1 4.374 0.003 . 2 . . . . . 704 P HD2 . 26577 1 1160 . 1 1 122 122 PRO HD3 H 1 4.143 0.003 . 2 . . . . . 704 P HD3 . 26577 1 1161 . 1 1 122 122 PRO C C 13 176.074 0 . 1 . . . . . 704 P C . 26577 1 1162 . 1 1 122 122 PRO CA C 13 62.438 0.06 . 1 . . . . . 704 P CA . 26577 1 1163 . 1 1 123 123 VAL H H 1 8.262 0.018 . 1 . . . . . 705 V H . 26577 1 1164 . 1 1 123 123 VAL HA H 1 4.177 0.011 . 1 . . . . . 705 V HA . 26577 1 1165 . 1 1 123 123 VAL HB H 1 1.963 0.005 . 1 . . . . . 705 V HB . 26577 1 1166 . 1 1 123 123 VAL HG11 H 1 0.82 0.005 . 1 . . . . . 705 V HG1# . 26577 1 1167 . 1 1 123 123 VAL HG12 H 1 0.82 0.005 . 1 . . . . . 705 V HG1# . 26577 1 1168 . 1 1 123 123 VAL HG13 H 1 0.82 0.005 . 1 . . . . . 705 V HG1# . 26577 1 1169 . 1 1 123 123 VAL HG21 H 1 0.825 0 . 1 . . . . . 705 V HG2# . 26577 1 1170 . 1 1 123 123 VAL HG22 H 1 0.825 0 . 1 . . . . . 705 V HG2# . 26577 1 1171 . 1 1 123 123 VAL HG23 H 1 0.825 0 . 1 . . . . . 705 V HG2# . 26577 1 1172 . 1 1 123 123 VAL C C 13 174.559 0 . 1 . . . . . 705 V C . 26577 1 1173 . 1 1 123 123 VAL CA C 13 61.655 0.087 . 1 . . . . . 705 V CA . 26577 1 1174 . 1 1 123 123 VAL CB C 13 33.258 0 . 1 . . . . . 705 V CB . 26577 1 1175 . 1 1 123 123 VAL N N 15 120.689 0.056 . 1 . . . . . 705 V N . 26577 1 1176 . 1 1 124 124 PHE H H 1 9.455 0.006 . 1 . . . . . 706 F H . 26577 1 1177 . 1 1 124 124 PHE HA H 1 5.139 0.011 . 1 . . . . . 706 F HA . 26577 1 1178 . 1 1 124 124 PHE HB2 H 1 3.126 0 . 2 . . . . . 706 F HB2 . 26577 1 1179 . 1 1 124 124 PHE HB3 H 1 3.031 0 . 2 . . . . . 706 F HB3 . 26577 1 1180 . 1 1 124 124 PHE HD1 H 1 7.17 0.014 . 3 . . . . . 706 F HD# . 26577 1 1181 . 1 1 124 124 PHE HD2 H 1 7.17 0.014 . 3 . . . . . 706 F HD# . 26577 1 1182 . 1 1 124 124 PHE HE1 H 1 7.413 0.016 . 3 . . . . . 706 F HE# . 26577 1 1183 . 1 1 124 124 PHE HE2 H 1 7.413 0.016 . 3 . . . . . 706 F HE# . 26577 1 1184 . 1 1 124 124 PHE C C 13 175.278 0.013 . 1 . . . . . 706 F C . 26577 1 1185 . 1 1 124 124 PHE CA C 13 58.171 0.029 . 1 . . . . . 706 F CA . 26577 1 1186 . 1 1 124 124 PHE CB C 13 40.171 0.068 . 1 . . . . . 706 F CB . 26577 1 1187 . 1 1 124 124 PHE N N 15 127.866 0.034 . 1 . . . . . 706 F N . 26577 1 1188 . 1 1 125 125 ALA H H 1 8.993 0.009 . 1 . . . . . 707 A H . 26577 1 1189 . 1 1 125 125 ALA HA H 1 4.705 0.004 . 1 . . . . . 707 A HA . 26577 1 1190 . 1 1 125 125 ALA HB1 H 1 1.261 0.004 . 1 . . . . . 707 A HB# . 26577 1 1191 . 1 1 125 125 ALA HB2 H 1 1.261 0.004 . 1 . . . . . 707 A HB# . 26577 1 1192 . 1 1 125 125 ALA HB3 H 1 1.261 0.004 . 1 . . . . . 707 A HB# . 26577 1 1193 . 1 1 125 125 ALA C C 13 177.15 0.014 . 1 . . . . . 707 A C . 26577 1 1194 . 1 1 125 125 ALA CA C 13 50.037 0.319 . 1 . . . . . 707 A CA . 26577 1 1195 . 1 1 125 125 ALA CB C 13 19.476 0.02 . 1 . . . . . 707 A CB . 26577 1 1196 . 1 1 125 125 ALA N N 15 126.438 0.025 . 1 . . . . . 707 A N . 26577 1 1197 . 1 1 126 126 GLY H H 1 8.87 0.007 . 1 . . . . . 708 G H . 26577 1 1198 . 1 1 126 126 GLY HA2 H 1 4.041 0.012 . 2 . . . . . 708 G HA2 . 26577 1 1199 . 1 1 126 126 GLY HA3 H 1 3.645 0.006 . 2 . . . . . 708 G HA3 . 26577 1 1200 . 1 1 126 126 GLY C C 13 174.856 0.014 . 1 . . . . . 708 G C . 26577 1 1201 . 1 1 126 126 GLY CA C 13 46.892 0.03 . 1 . . . . . 708 G CA . 26577 1 1202 . 1 1 126 126 GLY N N 15 114.891 0.018 . 1 . . . . . 708 G N . 26577 1 1203 . 1 1 127 127 GLU H H 1 9.033 0.006 . 1 . . . . . 709 E H . 26577 1 1204 . 1 1 127 127 GLU HA H 1 4.293 0.003 . 1 . . . . . 709 E HA . 26577 1 1205 . 1 1 127 127 GLU HB2 H 1 2.284 0.01 . 2 . . . . . 709 E HB2 . 26577 1 1206 . 1 1 127 127 GLU HB3 H 1 2.031 0.017 . 2 . . . . . 709 E HB3 . 26577 1 1207 . 1 1 127 127 GLU HG2 H 1 2.3 0.001 . 2 . . . . . 709 E HG# . 26577 1 1208 . 1 1 127 127 GLU HG3 H 1 2.3 0.001 . 2 . . . . . 709 E HG# . 26577 1 1209 . 1 1 127 127 GLU C C 13 176.007 0.018 . 1 . . . . . 709 E C . 26577 1 1210 . 1 1 127 127 GLU CA C 13 56.944 0.014 . 1 . . . . . 709 E CA . 26577 1 1211 . 1 1 127 127 GLU CB C 13 29.806 0 . 1 . . . . . 709 E CB . 26577 1 1212 . 1 1 127 127 GLU CG C 13 36.197 0 . 1 . . . . . 709 E CG . 26577 1 1213 . 1 1 127 127 GLU N N 15 123.673 0.035 . 1 . . . . . 709 E N . 26577 1 1214 . 1 1 128 128 GLN H H 1 7.791 0.005 . 1 . . . . . 710 Q H . 26577 1 1215 . 1 1 128 128 GLN HA H 1 4.669 0.007 . 1 . . . . . 710 Q HA . 26577 1 1216 . 1 1 128 128 GLN HB2 H 1 2.307 0.004 . 2 . . . . . 710 Q HB2 . 26577 1 1217 . 1 1 128 128 GLN HB3 H 1 2.195 0.001 . 2 . . . . . 710 Q HB3 . 26577 1 1218 . 1 1 128 128 GLN HG2 H 1 2.39 0 . 2 . . . . . 710 Q HG# . 26577 1 1219 . 1 1 128 128 GLN HG3 H 1 2.39 0 . 2 . . . . . 710 Q HG# . 26577 1 1220 . 1 1 128 128 GLN C C 13 174.995 0.005 . 1 . . . . . 710 Q C . 26577 1 1221 . 1 1 128 128 GLN CA C 13 54.81 0.039 . 1 . . . . . 710 Q CA . 26577 1 1222 . 1 1 128 128 GLN CB C 13 31.005 0.017 . 1 . . . . . 710 Q CB . 26577 1 1223 . 1 1 128 128 GLN CG C 13 33.551 0 . 1 . . . . . 710 Q CG . 26577 1 1224 . 1 1 128 128 GLN N N 15 119.183 0.036 . 1 . . . . . 710 Q N . 26577 1 1225 . 1 1 129 129 LEU H H 1 9.042 0.006 . 1 . . . . . 711 L H . 26577 1 1226 . 1 1 129 129 LEU HA H 1 3.806 0.01 . 1 . . . . . 711 L HA . 26577 1 1227 . 1 1 129 129 LEU HB2 H 1 2.076 0.01 . 2 . . . . . 711 L HB2 . 26577 1 1228 . 1 1 129 129 LEU HB3 H 1 1.181 0.013 . 2 . . . . . 711 L HB3 . 26577 1 1229 . 1 1 129 129 LEU HG H 1 1.589 0.009 . 1 . . . . . 711 L HG . 26577 1 1230 . 1 1 129 129 LEU HD11 H 1 0.56 0.008 . 1 . . . . . 711 L HD1# . 26577 1 1231 . 1 1 129 129 LEU HD12 H 1 0.56 0.008 . 1 . . . . . 711 L HD1# . 26577 1 1232 . 1 1 129 129 LEU HD13 H 1 0.56 0.008 . 1 . . . . . 711 L HD1# . 26577 1 1233 . 1 1 129 129 LEU HD21 H 1 0.745 0.009 . 1 . . . . . 711 L HD2# . 26577 1 1234 . 1 1 129 129 LEU HD22 H 1 0.745 0.009 . 1 . . . . . 711 L HD2# . 26577 1 1235 . 1 1 129 129 LEU HD23 H 1 0.745 0.009 . 1 . . . . . 711 L HD2# . 26577 1 1236 . 1 1 129 129 LEU C C 13 173.344 0.019 . 1 . . . . . 711 L C . 26577 1 1237 . 1 1 129 129 LEU CA C 13 55.749 0.012 . 1 . . . . . 711 L CA . 26577 1 1238 . 1 1 129 129 LEU CB C 13 40.459 0.159 . 1 . . . . . 711 L CB . 26577 1 1239 . 1 1 129 129 LEU CG C 13 27.196 0 . 1 . . . . . 711 L CG . 26577 1 1240 . 1 1 129 129 LEU CD1 C 13 23.016 0.029 . 1 . . . . . 711 L CD1 . 26577 1 1241 . 1 1 129 129 LEU CD2 C 13 27.427 0.04 . 1 . . . . . 711 L CD2 . 26577 1 1242 . 1 1 129 129 LEU N N 15 128.274 0.018 . 1 . . . . . 711 L N . 26577 1 1243 . 1 1 130 130 TRP H H 1 9.188 0.01 . 1 . . . . . 712 W H . 26577 1 1244 . 1 1 130 130 TRP HA H 1 4.368 0.005 . 1 . . . . . 712 W HA . 26577 1 1245 . 1 1 130 130 TRP HB2 H 1 3.217 0.014 . 2 . . . . . 712 W HB# . 26577 1 1246 . 1 1 130 130 TRP HB3 H 1 3.217 0.014 . 2 . . . . . 712 W HB# . 26577 1 1247 . 1 1 130 130 TRP HD1 H 1 7.259 0.018 . 1 . . . . . 712 W HD1 . 26577 1 1248 . 1 1 130 130 TRP HE1 H 1 10.257 0.005 . 1 . . . . . 712 W HE1 . 26577 1 1249 . 1 1 130 130 TRP HZ2 H 1 7.488 0 . 1 . . . . . 712 W HZ2 . 26577 1 1250 . 1 1 130 130 TRP HZ3 H 1 6.554 0 . 1 . . . . . 712 W HZ3 . 26577 1 1251 . 1 1 130 130 TRP HH2 H 1 6.739 0.009 . 1 . . . . . 712 W HH2 . 26577 1 1252 . 1 1 130 130 TRP C C 13 177.578 0.003 . 1 . . . . . 712 W C . 26577 1 1253 . 1 1 130 130 TRP CA C 13 59.93 0.116 . 1 . . . . . 712 W CA . 26577 1 1254 . 1 1 130 130 TRP CB C 13 31.834 0.013 . 1 . . . . . 712 W CB . 26577 1 1255 . 1 1 130 130 TRP CE2 C 13 139.183 0 . 1 . . . . . 712 W CE2 . 26577 1 1256 . 1 1 130 130 TRP N N 15 132.549 0.033 . 1 . . . . . 712 W N . 26577 1 1257 . 1 1 130 130 TRP NE1 N 15 129.541 0.023 . 1 . . . . . 712 W NE1 . 26577 1 1258 . 1 1 131 131 GLY H H 1 8.427 0.004 . 1 . . . . . 713 G H . 26577 1 1259 . 1 1 131 131 GLY HA2 H 1 4.773 0.004 . 2 . . . . . 713 G HA2 . 26577 1 1260 . 1 1 131 131 GLY HA3 H 1 3.848 0.005 . 2 . . . . . 713 G HA3 . 26577 1 1261 . 1 1 131 131 GLY C C 13 170.381 0 . 1 . . . . . 713 G C . 26577 1 1262 . 1 1 131 131 GLY CA C 13 47.174 0.039 . 1 . . . . . 713 G CA . 26577 1 1263 . 1 1 131 131 GLY N N 15 105.183 0.035 . 1 . . . . . 713 G N . 26577 1 1264 . 1 1 132 132 LEU H H 1 9.272 0.005 . 1 . . . . . 714 L H . 26577 1 1265 . 1 1 132 132 LEU HA H 1 5.085 0.008 . 1 . . . . . 714 L HA . 26577 1 1266 . 1 1 132 132 LEU HB2 H 1 1.199 0.034 . 2 . . . . . 714 L HB# . 26577 1 1267 . 1 1 132 132 LEU HB3 H 1 1.199 0.034 . 2 . . . . . 714 L HB# . 26577 1 1268 . 1 1 132 132 LEU HG H 1 1.134 0.007 . 1 . . . . . 714 L HG . 26577 1 1269 . 1 1 132 132 LEU HD11 H 1 0.114 0.01 . 1 . . . . . 714 L HD1# . 26577 1 1270 . 1 1 132 132 LEU HD12 H 1 0.114 0.01 . 1 . . . . . 714 L HD1# . 26577 1 1271 . 1 1 132 132 LEU HD13 H 1 0.114 0.01 . 1 . . . . . 714 L HD1# . 26577 1 1272 . 1 1 132 132 LEU HD21 H 1 0.532 0.008 . 1 . . . . . 714 L HD2# . 26577 1 1273 . 1 1 132 132 LEU HD22 H 1 0.532 0.008 . 1 . . . . . 714 L HD2# . 26577 1 1274 . 1 1 132 132 LEU HD23 H 1 0.532 0.008 . 1 . . . . . 714 L HD2# . 26577 1 1275 . 1 1 132 132 LEU C C 13 174.502 0.023 . 1 . . . . . 714 L C . 26577 1 1276 . 1 1 132 132 LEU CA C 13 53.186 0.041 . 1 . . . . . 714 L CA . 26577 1 1277 . 1 1 132 132 LEU CB C 13 45.598 0.002 . 1 . . . . . 714 L CB . 26577 1 1278 . 1 1 132 132 LEU CG C 13 26.482 0.02 . 1 . . . . . 714 L CG . 26577 1 1279 . 1 1 132 132 LEU CD1 C 13 24.545 0.028 . 1 . . . . . 714 L CD1 . 26577 1 1280 . 1 1 132 132 LEU CD2 C 13 23.774 0.018 . 1 . . . . . 714 L CD2 . 26577 1 1281 . 1 1 132 132 LEU N N 15 117.296 0.028 . 1 . . . . . 714 L N . 26577 1 1282 . 1 1 133 133 LEU H H 1 8.954 0.012 . 1 . . . . . 715 L H . 26577 1 1283 . 1 1 133 133 LEU HA H 1 5.005 0.007 . 1 . . . . . 715 L HA . 26577 1 1284 . 1 1 133 133 LEU HB2 H 1 1.78 0.012 . 2 . . . . . 715 L HB2 . 26577 1 1285 . 1 1 133 133 LEU HB3 H 1 0.901 0.012 . 2 . . . . . 715 L HB3 . 26577 1 1286 . 1 1 133 133 LEU HG H 1 1.311 0.01 . 1 . . . . . 715 L HG . 26577 1 1287 . 1 1 133 133 LEU HD11 H 1 0.711 0.004 . 1 . . . . . 715 L HD1# . 26577 1 1288 . 1 1 133 133 LEU HD12 H 1 0.711 0.004 . 1 . . . . . 715 L HD1# . 26577 1 1289 . 1 1 133 133 LEU HD13 H 1 0.711 0.004 . 1 . . . . . 715 L HD1# . 26577 1 1290 . 1 1 133 133 LEU HD21 H 1 0.672 0.009 . 1 . . . . . 715 L HD2# . 26577 1 1291 . 1 1 133 133 LEU HD22 H 1 0.672 0.009 . 1 . . . . . 715 L HD2# . 26577 1 1292 . 1 1 133 133 LEU HD23 H 1 0.672 0.009 . 1 . . . . . 715 L HD2# . 26577 1 1293 . 1 1 133 133 LEU C C 13 172.622 0.028 . 1 . . . . . 715 L C . 26577 1 1294 . 1 1 133 133 LEU CA C 13 54.178 0.113 . 1 . . . . . 715 L CA . 26577 1 1295 . 1 1 133 133 LEU CB C 13 44.135 0.083 . 1 . . . . . 715 L CB . 26577 1 1296 . 1 1 133 133 LEU CG C 13 27.44 0.001 . 1 . . . . . 715 L CG . 26577 1 1297 . 1 1 133 133 LEU CD1 C 13 23.702 0.029 . 1 . . . . . 715 L CD1 . 26577 1 1298 . 1 1 133 133 LEU CD2 C 13 27.016 0.03 . 1 . . . . . 715 L CD2 . 26577 1 1299 . 1 1 133 133 LEU N N 15 124.097 0.012 . 1 . . . . . 715 L N . 26577 1 1300 . 1 1 134 134 ALA H H 1 8.899 0.01 . 1 . . . . . 716 A H . 26577 1 1301 . 1 1 134 134 ALA HA H 1 5.372 0.009 . 1 . . . . . 716 A HA . 26577 1 1302 . 1 1 134 134 ALA HB1 H 1 1.131 0.01 . 1 . . . . . 716 A HB# . 26577 1 1303 . 1 1 134 134 ALA HB2 H 1 1.131 0.01 . 1 . . . . . 716 A HB# . 26577 1 1304 . 1 1 134 134 ALA HB3 H 1 1.131 0.01 . 1 . . . . . 716 A HB# . 26577 1 1305 . 1 1 134 134 ALA C C 13 174.418 0.004 . 1 . . . . . 716 A C . 26577 1 1306 . 1 1 134 134 ALA CA C 13 50.151 0.013 . 1 . . . . . 716 A CA . 26577 1 1307 . 1 1 134 134 ALA CB C 13 25.467 0.032 . 1 . . . . . 716 A CB . 26577 1 1308 . 1 1 134 134 ALA N N 15 129.268 0.024 . 1 . . . . . 716 A N . 26577 1 1309 . 1 1 135 135 ALA H H 1 8.82 0.012 . 1 . . . . . 717 A H . 26577 1 1310 . 1 1 135 135 ALA HA H 1 5.094 0.007 . 1 . . . . . 717 A HA . 26577 1 1311 . 1 1 135 135 ALA HB1 H 1 1.145 0.004 . 1 . . . . . 717 A HB# . 26577 1 1312 . 1 1 135 135 ALA HB2 H 1 1.145 0.004 . 1 . . . . . 717 A HB# . 26577 1 1313 . 1 1 135 135 ALA HB3 H 1 1.145 0.004 . 1 . . . . . 717 A HB# . 26577 1 1314 . 1 1 135 135 ALA C C 13 174.884 0.023 . 1 . . . . . 717 A C . 26577 1 1315 . 1 1 135 135 ALA CA C 13 50.315 0.051 . 1 . . . . . 717 A CA . 26577 1 1316 . 1 1 135 135 ALA CB C 13 22.492 0.039 . 1 . . . . . 717 A CB . 26577 1 1317 . 1 1 135 135 ALA N N 15 124.104 0.021 . 1 . . . . . 717 A N . 26577 1 1318 . 1 1 136 136 TYR H H 1 9.207 0.004 . 1 . . . . . 718 Y H . 26577 1 1319 . 1 1 136 136 TYR HA H 1 5.419 0.013 . 1 . . . . . 718 Y HA . 26577 1 1320 . 1 1 136 136 TYR HB2 H 1 3.058 0.003 . 2 . . . . . 718 Y HB2 . 26577 1 1321 . 1 1 136 136 TYR HB3 H 1 2.886 0.004 . 2 . . . . . 718 Y HB3 . 26577 1 1322 . 1 1 136 136 TYR HD1 H 1 6.838 0.008 . 3 . . . . . 718 Y HD# . 26577 1 1323 . 1 1 136 136 TYR HD2 H 1 6.838 0.008 . 3 . . . . . 718 Y HD# . 26577 1 1324 . 1 1 136 136 TYR HE1 H 1 6.742 0.022 . 3 . . . . . 718 Y HE# . 26577 1 1325 . 1 1 136 136 TYR HE2 H 1 6.742 0.022 . 3 . . . . . 718 Y HE# . 26577 1 1326 . 1 1 136 136 TYR C C 13 175.579 0.017 . 1 . . . . . 718 Y C . 26577 1 1327 . 1 1 136 136 TYR CA C 13 58.041 0.148 . 1 . . . . . 718 Y CA . 26577 1 1328 . 1 1 136 136 TYR CB C 13 42.529 0.039 . 1 . . . . . 718 Y CB . 26577 1 1329 . 1 1 136 136 TYR N N 15 116.018 0 . 1 . . . . . 718 Y N . 26577 1 1330 . 1 1 137 137 GLN H H 1 9.653 0.007 . 1 . . . . . 719 Q H . 26577 1 1331 . 1 1 137 137 GLN HA H 1 4.515 0.004 . 1 . . . . . 719 Q HA . 26577 1 1332 . 1 1 137 137 GLN HB2 H 1 1.987 0.004 . 2 . . . . . 719 Q HB# . 26577 1 1333 . 1 1 137 137 GLN HB3 H 1 1.987 0.004 . 2 . . . . . 719 Q HB# . 26577 1 1334 . 1 1 137 137 GLN HG2 H 1 2.317 0.014 . 2 . . . . . 719 Q HG# . 26577 1 1335 . 1 1 137 137 GLN HG3 H 1 2.317 0.014 . 2 . . . . . 719 Q HG# . 26577 1 1336 . 1 1 137 137 GLN C C 13 173.581 0.014 . 1 . . . . . 719 Q C . 26577 1 1337 . 1 1 137 137 GLN CA C 13 55.691 0.095 . 1 . . . . . 719 Q CA . 26577 1 1338 . 1 1 137 137 GLN CB C 13 32.118 0 . 1 . . . . . 719 Q CB . 26577 1 1339 . 1 1 137 137 GLN CG C 13 33.845 0 . 1 . . . . . 719 Q CG . 26577 1 1340 . 1 1 137 137 GLN N N 15 126.357 0.024 . 1 . . . . . 719 Q N . 26577 1 1341 . 1 1 138 138 ASN H H 1 11.362 0.004 . 1 . . . . . 720 N H . 26577 1 1342 . 1 1 138 138 ASN HA H 1 5.179 0.003 . 1 . . . . . 720 N HA . 26577 1 1343 . 1 1 138 138 ASN HB2 H 1 1.63 0.005 . 2 . . . . . 720 N HB2 . 26577 1 1344 . 1 1 138 138 ASN HB3 H 1 0.548 0.009 . 2 . . . . . 720 N HB3 . 26577 1 1345 . 1 1 138 138 ASN C C 13 176.362 0 . 1 . . . . . 720 N C . 26577 1 1346 . 1 1 138 138 ASN CA C 13 52.23 0.055 . 1 . . . . . 720 N CA . 26577 1 1347 . 1 1 138 138 ASN CB C 13 36.577 0.008 . 1 . . . . . 720 N CB . 26577 1 1348 . 1 1 138 138 ASN N N 15 128.553 0.031 . 1 . . . . . 720 N N . 26577 1 1349 . 1 1 139 139 SER H H 1 8.162 0.004 . 1 . . . . . 721 S H . 26577 1 1350 . 1 1 139 139 SER HA H 1 4.403 0 . 1 . . . . . 721 S HA . 26577 1 1351 . 1 1 139 139 SER HB2 H 1 3.88 0.003 . 2 . . . . . 721 S HB# . 26577 1 1352 . 1 1 139 139 SER HB3 H 1 3.88 0.003 . 2 . . . . . 721 S HB# . 26577 1 1353 . 1 1 139 139 SER C C 13 174.462 0 . 1 . . . . . 721 S C . 26577 1 1354 . 1 1 139 139 SER CA C 13 59.473 0.041 . 1 . . . . . 721 S CA . 26577 1 1355 . 1 1 139 139 SER CB C 13 63.474 0.017 . 1 . . . . . 721 S CB . 26577 1 1356 . 1 1 139 139 SER N N 15 114.49 0.039 . 1 . . . . . 721 S N . 26577 1 1357 . 1 1 140 140 GLY H H 1 7.186 0.009 . 1 . . . . . 722 G H . 26577 1 1358 . 1 1 140 140 GLY HA2 H 1 4.053 0.019 . 2 . . . . . 722 G HA# . 26577 1 1359 . 1 1 140 140 GLY HA3 H 1 4.053 0.019 . 2 . . . . . 722 G HA# . 26577 1 1360 . 1 1 140 140 GLY C C 13 170.923 0.015 . 1 . . . . . 722 G C . 26577 1 1361 . 1 1 140 140 GLY CA C 13 44.584 0.01 . 1 . . . . . 722 G CA . 26577 1 1362 . 1 1 140 140 GLY N N 15 107.741 0.027 . 1 . . . . . 722 G N . 26577 1 1363 . 1 1 141 141 THR H H 1 7.651 0.005 . 1 . . . . . 723 T H . 26577 1 1364 . 1 1 141 141 THR HA H 1 3.968 0.013 . 1 . . . . . 723 T HA . 26577 1 1365 . 1 1 141 141 THR HB H 1 4.579 0.004 . 1 . . . . . 723 T HB . 26577 1 1366 . 1 1 141 141 THR HG21 H 1 1.377 0.008 . 1 . . . . . 723 T HG2# . 26577 1 1367 . 1 1 141 141 THR HG22 H 1 1.377 0.008 . 1 . . . . . 723 T HG2# . 26577 1 1368 . 1 1 141 141 THR HG23 H 1 1.377 0.008 . 1 . . . . . 723 T HG2# . 26577 1 1369 . 1 1 141 141 THR C C 13 173.39 0.011 . 1 . . . . . 723 T C . 26577 1 1370 . 1 1 141 141 THR CA C 13 62.482 0.032 . 1 . . . . . 723 T CA . 26577 1 1371 . 1 1 141 141 THR CB C 13 69.33 0.006 . 1 . . . . . 723 T CB . 26577 1 1372 . 1 1 141 141 THR CG2 C 13 22.572 0.022 . 1 . . . . . 723 T CG2 . 26577 1 1373 . 1 1 141 141 THR N N 15 106.683 0.007 . 1 . . . . . 723 T N . 26577 1 1374 . 1 1 142 142 ARG H H 1 7.971 0.006 . 1 . . . . . 724 R H . 26577 1 1375 . 1 1 142 142 ARG HA H 1 3.944 0.019 . 1 . . . . . 724 R HA . 26577 1 1376 . 1 1 142 142 ARG HB2 H 1 0.717 0.005 . 2 . . . . . 724 R HB2 . 26577 1 1377 . 1 1 142 142 ARG HB3 H 1 0.44 0.004 . 2 . . . . . 724 R HB3 . 26577 1 1378 . 1 1 142 142 ARG HG2 H 1 -0.293 0.011 . 2 . . . . . 724 R HG# . 26577 1 1379 . 1 1 142 142 ARG HG3 H 1 -0.293 0.011 . 2 . . . . . 724 R HG# . 26577 1 1380 . 1 1 142 142 ARG HD2 H 1 2.179 0.026 . 2 . . . . . 724 R HD# . 26577 1 1381 . 1 1 142 142 ARG HD3 H 1 2.179 0.026 . 2 . . . . . 724 R HD# . 26577 1 1382 . 1 1 142 142 ARG HE H 1 7.177 0.004 . 1 . . . . . 724 R HE . 26577 1 1383 . 1 1 142 142 ARG C C 13 171.613 0.004 . 1 . . . . . 724 R C . 26577 1 1384 . 1 1 142 142 ARG CA C 13 55.975 0.061 . 1 . . . . . 724 R CA . 26577 1 1385 . 1 1 142 142 ARG CB C 13 33.105 0.032 . 1 . . . . . 724 R CB . 26577 1 1386 . 1 1 142 142 ARG CG C 13 25.383 0.028 . 1 . . . . . 724 R CG . 26577 1 1387 . 1 1 142 142 ARG CD C 13 42.806 0.051 . 1 . . . . . 724 R CD . 26577 1 1388 . 1 1 142 142 ARG CZ C 13 158.721 0 . 1 . . . . . 724 R CZ . 26577 1 1389 . 1 1 142 142 ARG N N 15 120.761 0.043 . 1 . . . . . 724 R N . 26577 1 1390 . 1 1 142 142 ARG NE N 15 87.719 0.024 . 1 . . . . . 724 R NE . 26577 1 1391 . 1 1 143 143 ASP H H 1 8.134 0.003 . 1 . . . . . 725 D H . 26577 1 1392 . 1 1 143 143 ASP HA H 1 4.688 0.006 . 1 . . . . . 725 D HA . 26577 1 1393 . 1 1 143 143 ASP HB2 H 1 2.504 0.016 . 2 . . . . . 725 D HB2 . 26577 1 1394 . 1 1 143 143 ASP HB3 H 1 2.362 0.007 . 2 . . . . . 725 D HB3 . 26577 1 1395 . 1 1 143 143 ASP C C 13 176.12 0.003 . 1 . . . . . 725 D C . 26577 1 1396 . 1 1 143 143 ASP CA C 13 51.549 0.1 . 1 . . . . . 725 D CA . 26577 1 1397 . 1 1 143 143 ASP CB C 13 38.699 0 . 1 . . . . . 725 D CB . 26577 1 1398 . 1 1 143 143 ASP N N 15 125.564 0.038 . 1 . . . . . 725 D N . 26577 1 1399 . 1 1 144 144 TRP H H 1 7.201 0.009 . 1 . . . . . 726 W H . 26577 1 1400 . 1 1 144 144 TRP HA H 1 4.422 0.005 . 1 . . . . . 726 W HA . 26577 1 1401 . 1 1 144 144 TRP HB2 H 1 2.885 0.01 . 2 . . . . . 726 W HB2 . 26577 1 1402 . 1 1 144 144 TRP HB3 H 1 2.718 0.003 . 2 . . . . . 726 W HB3 . 26577 1 1403 . 1 1 144 144 TRP HD1 H 1 7.307 0.008 . 1 . . . . . 726 W HD1 . 26577 1 1404 . 1 1 144 144 TRP HE1 H 1 8.5 0.004 . 1 . . . . . 726 W HE1 . 26577 1 1405 . 1 1 144 144 TRP HE3 H 1 6.66 0.009 . 1 . . . . . 726 W HE3 . 26577 1 1406 . 1 1 144 144 TRP HZ2 H 1 6.898 0.012 . 1 . . . . . 726 W HZ2 . 26577 1 1407 . 1 1 144 144 TRP HH2 H 1 6.697 0.01 . 1 . . . . . 726 W HH2 . 26577 1 1408 . 1 1 144 144 TRP C C 13 176.207 0.022 . 1 . . . . . 726 W C . 26577 1 1409 . 1 1 144 144 TRP CA C 13 56.974 0.024 . 1 . . . . . 726 W CA . 26577 1 1410 . 1 1 144 144 TRP CB C 13 29.252 0.015 . 1 . . . . . 726 W CB . 26577 1 1411 . 1 1 144 144 TRP CE2 C 13 138.912 0 . 1 . . . . . 726 W CE2 . 26577 1 1412 . 1 1 144 144 TRP N N 15 126.752 0.03 . 1 . . . . . 726 W N . 26577 1 1413 . 1 1 144 144 TRP NE1 N 15 127.459 0.017 . 1 . . . . . 726 W NE1 . 26577 1 1414 . 1 1 145 145 ASP H H 1 9.565 0.005 . 1 . . . . . 727 D H . 26577 1 1415 . 1 1 145 145 ASP HA H 1 4.886 0.009 . 1 . . . . . 727 D HA . 26577 1 1416 . 1 1 145 145 ASP HB2 H 1 2.882 0.004 . 2 . . . . . 727 D HB2 . 26577 1 1417 . 1 1 145 145 ASP HB3 H 1 2.598 0.008 . 2 . . . . . 727 D HB3 . 26577 1 1418 . 1 1 145 145 ASP C C 13 177.332 0.029 . 1 . . . . . 727 D C . 26577 1 1419 . 1 1 145 145 ASP CA C 13 53.34 0.046 . 1 . . . . . 727 D CA . 26577 1 1420 . 1 1 145 145 ASP CB C 13 43.948 0.033 . 1 . . . . . 727 D CB . 26577 1 1421 . 1 1 145 145 ASP N N 15 126.923 0.018 . 1 . . . . . 727 D N . 26577 1 1422 . 1 1 146 146 GLU H H 1 9.004 0.015 . 1 . . . . . 728 E H . 26577 1 1423 . 1 1 146 146 GLU HA H 1 4.015 0.002 . 1 . . . . . 728 E HA . 26577 1 1424 . 1 1 146 146 GLU HB2 H 1 2.126 0 . 2 . . . . . 728 E HB# . 26577 1 1425 . 1 1 146 146 GLU HB3 H 1 2.126 0 . 2 . . . . . 728 E HB# . 26577 1 1426 . 1 1 146 146 GLU HG2 H 1 2.369 0.003 . 2 . . . . . 728 E HG# . 26577 1 1427 . 1 1 146 146 GLU HG3 H 1 2.369 0.003 . 2 . . . . . 728 E HG# . 26577 1 1428 . 1 1 146 146 GLU C C 13 178.821 0 . 1 . . . . . 728 E C . 26577 1 1429 . 1 1 146 146 GLU CA C 13 60.253 0 . 1 . . . . . 728 E CA . 26577 1 1430 . 1 1 146 146 GLU CB C 13 29.757 0 . 1 . . . . . 728 E CB . 26577 1 1431 . 1 1 146 146 GLU CG C 13 35.937 0 . 1 . . . . . 728 E CG . 26577 1 1432 . 1 1 146 146 GLU N N 15 124.722 0.018 . 1 . . . . . 728 E N . 26577 1 1433 . 1 1 147 147 SER H H 1 8.892 0.003 . 1 . . . . . 729 S H . 26577 1 1434 . 1 1 147 147 SER HA H 1 4.234 0.01 . 1 . . . . . 729 S HA . 26577 1 1435 . 1 1 147 147 SER HB2 H 1 3.98 0 . 2 . . . . . 729 S HB# . 26577 1 1436 . 1 1 147 147 SER HB3 H 1 3.98 0 . 2 . . . . . 729 S HB# . 26577 1 1437 . 1 1 147 147 SER C C 13 177.215 0 . 1 . . . . . 729 S C . 26577 1 1438 . 1 1 147 147 SER CA C 13 61.7 0.037 . 1 . . . . . 729 S CA . 26577 1 1439 . 1 1 147 147 SER CB C 13 62.507 0 . 1 . . . . . 729 S CB . 26577 1 1440 . 1 1 147 147 SER N N 15 115.491 0.038 . 1 . . . . . 729 S N . 26577 1 1441 . 1 1 148 148 GLU H H 1 7.751 0.006 . 1 . . . . . 730 E H . 26577 1 1442 . 1 1 148 148 GLU HA H 1 4.055 0.014 . 1 . . . . . 730 E HA . 26577 1 1443 . 1 1 148 148 GLU HB2 H 1 2.125 0 . 2 . . . . . 730 E HB# . 26577 1 1444 . 1 1 148 148 GLU HB3 H 1 2.125 0 . 2 . . . . . 730 E HB# . 26577 1 1445 . 1 1 148 148 GLU HG2 H 1 2.362 0 . 2 . . . . . 730 E HG# . 26577 1 1446 . 1 1 148 148 GLU HG3 H 1 2.362 0 . 2 . . . . . 730 E HG# . 26577 1 1447 . 1 1 148 148 GLU C C 13 177.572 0.01 . 1 . . . . . 730 E C . 26577 1 1448 . 1 1 148 148 GLU CA C 13 59.115 0.041 . 1 . . . . . 730 E CA . 26577 1 1449 . 1 1 148 148 GLU CB C 13 29.673 0.111 . 1 . . . . . 730 E CB . 26577 1 1450 . 1 1 148 148 GLU CG C 13 36.094 0 . 1 . . . . . 730 E CG . 26577 1 1451 . 1 1 148 148 GLU N N 15 124.885 0.029 . 1 . . . . . 730 E N . 26577 1 1452 . 1 1 149 149 VAL H H 1 7.797 0 . 1 . . . . . 731 V H . 26577 1 1453 . 1 1 149 149 VAL HA H 1 3.331 0.012 . 1 . . . . . 731 V HA . 26577 1 1454 . 1 1 149 149 VAL HB H 1 2.151 0.004 . 1 . . . . . 731 V HB . 26577 1 1455 . 1 1 149 149 VAL HG11 H 1 0.801 0.016 . 1 . . . . . 731 V HG1# . 26577 1 1456 . 1 1 149 149 VAL HG12 H 1 0.801 0.016 . 1 . . . . . 731 V HG1# . 26577 1 1457 . 1 1 149 149 VAL HG13 H 1 0.801 0.016 . 1 . . . . . 731 V HG1# . 26577 1 1458 . 1 1 149 149 VAL HG21 H 1 0.943 0.007 . 1 . . . . . 731 V HG2# . 26577 1 1459 . 1 1 149 149 VAL HG22 H 1 0.943 0.007 . 1 . . . . . 731 V HG2# . 26577 1 1460 . 1 1 149 149 VAL HG23 H 1 0.943 0.007 . 1 . . . . . 731 V HG2# . 26577 1 1461 . 1 1 149 149 VAL C C 13 177.67 0.01 . 1 . . . . . 731 V C . 26577 1 1462 . 1 1 149 149 VAL CA C 13 67.082 0.09 . 1 . . . . . 731 V CA . 26577 1 1463 . 1 1 149 149 VAL CB C 13 31.983 0.052 . 1 . . . . . 731 V CB . 26577 1 1464 . 1 1 149 149 VAL CG1 C 13 20.541 0.054 . 1 . . . . . 731 V CG1 . 26577 1 1465 . 1 1 149 149 VAL CG2 C 13 22.445 0.038 . 1 . . . . . 731 V CG2 . 26577 1 1466 . 1 1 149 149 VAL N N 15 119.686 0 . 1 . . . . . 731 V N . 26577 1 1467 . 1 1 150 150 THR H H 1 8.426 0.004 . 1 . . . . . 732 T H . 26577 1 1468 . 1 1 150 150 THR HA H 1 3.913 0.009 . 1 . . . . . 732 T HA . 26577 1 1469 . 1 1 150 150 THR HB H 1 4.208 0.015 . 1 . . . . . 732 T HB . 26577 1 1470 . 1 1 150 150 THR HG21 H 1 1.273 0.006 . 1 . . . . . 732 T HG2# . 26577 1 1471 . 1 1 150 150 THR HG22 H 1 1.273 0.006 . 1 . . . . . 732 T HG2# . 26577 1 1472 . 1 1 150 150 THR HG23 H 1 1.273 0.006 . 1 . . . . . 732 T HG2# . 26577 1 1473 . 1 1 150 150 THR C C 13 176.745 0 . 1 . . . . . 732 T C . 26577 1 1474 . 1 1 150 150 THR CA C 13 66.586 0.096 . 1 . . . . . 732 T CA . 26577 1 1475 . 1 1 150 150 THR CB C 13 68.797 0.002 . 1 . . . . . 732 T CB . 26577 1 1476 . 1 1 150 150 THR CG2 C 13 21.934 0.092 . 1 . . . . . 732 T CG2 . 26577 1 1477 . 1 1 150 150 THR N N 15 114.257 0.017 . 1 . . . . . 732 T N . 26577 1 1478 . 1 1 151 151 LEU H H 1 7.646 0.004 . 1 . . . . . 733 L H . 26577 1 1479 . 1 1 151 151 LEU HA H 1 4.11 0.014 . 1 . . . . . 733 L HA . 26577 1 1480 . 1 1 151 151 LEU HB2 H 1 1.89 0.014 . 2 . . . . . 733 L HB# . 26577 1 1481 . 1 1 151 151 LEU HB3 H 1 1.89 0.014 . 2 . . . . . 733 L HB# . 26577 1 1482 . 1 1 151 151 LEU HG H 1 1.676 0.008 . 1 . . . . . 733 L HG . 26577 1 1483 . 1 1 151 151 LEU HD11 H 1 0.969 0.005 . 1 . . . . . 733 L HD1# . 26577 1 1484 . 1 1 151 151 LEU HD12 H 1 0.969 0.005 . 1 . . . . . 733 L HD1# . 26577 1 1485 . 1 1 151 151 LEU HD13 H 1 0.969 0.005 . 1 . . . . . 733 L HD1# . 26577 1 1486 . 1 1 151 151 LEU HD21 H 1 0.93 0.005 . 1 . . . . . 733 L HD2# . 26577 1 1487 . 1 1 151 151 LEU HD22 H 1 0.93 0.005 . 1 . . . . . 733 L HD2# . 26577 1 1488 . 1 1 151 151 LEU HD23 H 1 0.93 0.005 . 1 . . . . . 733 L HD2# . 26577 1 1489 . 1 1 151 151 LEU C C 13 178.149 0.005 . 1 . . . . . 733 L C . 26577 1 1490 . 1 1 151 151 LEU CA C 13 58.797 0.077 . 1 . . . . . 733 L CA . 26577 1 1491 . 1 1 151 151 LEU CB C 13 41.776 0.038 . 1 . . . . . 733 L CB . 26577 1 1492 . 1 1 151 151 LEU CG C 13 27.407 0 . 1 . . . . . 733 L CG . 26577 1 1493 . 1 1 151 151 LEU CD1 C 13 24.472 0.046 . 1 . . . . . 733 L CD1 . 26577 1 1494 . 1 1 151 151 LEU CD2 C 13 25.407 0.003 . 1 . . . . . 733 L CD2 . 26577 1 1495 . 1 1 151 151 LEU N N 15 123.458 0.022 . 1 . . . . . 733 L N . 26577 1 1496 . 1 1 152 152 LEU H H 1 8.088 0.015 . 1 . . . . . 734 L H . 26577 1 1497 . 1 1 152 152 LEU HA H 1 3.851 0.01 . 1 . . . . . 734 L HA . 26577 1 1498 . 1 1 152 152 LEU HB2 H 1 1.819 0.003 . 2 . . . . . 734 L HB2 . 26577 1 1499 . 1 1 152 152 LEU HB3 H 1 1.482 0.012 . 2 . . . . . 734 L HB3 . 26577 1 1500 . 1 1 152 152 LEU HG H 1 1.576 0.008 . 1 . . . . . 734 L HG . 26577 1 1501 . 1 1 152 152 LEU HD11 H 1 0.712 0.007 . 1 . . . . . 734 L HD1# . 26577 1 1502 . 1 1 152 152 LEU HD12 H 1 0.712 0.007 . 1 . . . . . 734 L HD1# . 26577 1 1503 . 1 1 152 152 LEU HD13 H 1 0.712 0.007 . 1 . . . . . 734 L HD1# . 26577 1 1504 . 1 1 152 152 LEU HD21 H 1 0.627 0.007 . 1 . . . . . 734 L HD2# . 26577 1 1505 . 1 1 152 152 LEU HD22 H 1 0.627 0.007 . 1 . . . . . 734 L HD2# . 26577 1 1506 . 1 1 152 152 LEU HD23 H 1 0.627 0.007 . 1 . . . . . 734 L HD2# . 26577 1 1507 . 1 1 152 152 LEU C C 13 178.464 0.001 . 1 . . . . . 734 L C . 26577 1 1508 . 1 1 152 152 LEU CA C 13 58.349 0.101 . 1 . . . . . 734 L CA . 26577 1 1509 . 1 1 152 152 LEU CB C 13 41.777 0 . 1 . . . . . 734 L CB . 26577 1 1510 . 1 1 152 152 LEU CG C 13 26.451 0.039 . 1 . . . . . 734 L CG . 26577 1 1511 . 1 1 152 152 LEU CD1 C 13 25.218 0.045 . 1 . . . . . 734 L CD1 . 26577 1 1512 . 1 1 152 152 LEU CD2 C 13 26.474 0.065 . 1 . . . . . 734 L CD2 . 26577 1 1513 . 1 1 152 152 LEU N N 15 120.261 0.044 . 1 . . . . . 734 L N . 26577 1 1514 . 1 1 153 153 ALA H H 1 8.824 0.012 . 1 . . . . . 735 A H . 26577 1 1515 . 1 1 153 153 ALA HA H 1 4.148 0.008 . 1 . . . . . 735 A HA . 26577 1 1516 . 1 1 153 153 ALA HB1 H 1 1.629 0.01 . 1 . . . . . 735 A HB# . 26577 1 1517 . 1 1 153 153 ALA HB2 H 1 1.629 0.01 . 1 . . . . . 735 A HB# . 26577 1 1518 . 1 1 153 153 ALA HB3 H 1 1.629 0.01 . 1 . . . . . 735 A HB# . 26577 1 1519 . 1 1 153 153 ALA C C 13 181.031 0.001 . 1 . . . . . 735 A C . 26577 1 1520 . 1 1 153 153 ALA CA C 13 55.148 0.072 . 1 . . . . . 735 A CA . 26577 1 1521 . 1 1 153 153 ALA CB C 13 17.958 0.058 . 1 . . . . . 735 A CB . 26577 1 1522 . 1 1 153 153 ALA N N 15 121.19 0.033 . 1 . . . . . 735 A N . 26577 1 1523 . 1 1 154 154 ARG H H 1 8.423 0.01 . 1 . . . . . 736 R H . 26577 1 1524 . 1 1 154 154 ARG HA H 1 4.219 0.013 . 1 . . . . . 736 R HA . 26577 1 1525 . 1 1 154 154 ARG HB2 H 1 2.119 0.005 . 2 . . . . . 736 R HB# . 26577 1 1526 . 1 1 154 154 ARG HB3 H 1 2.119 0.005 . 2 . . . . . 736 R HB# . 26577 1 1527 . 1 1 154 154 ARG HG2 H 1 1.688 0.002 . 2 . . . . . 736 R HG# . 26577 1 1528 . 1 1 154 154 ARG HG3 H 1 1.688 0.002 . 2 . . . . . 736 R HG# . 26577 1 1529 . 1 1 154 154 ARG HD2 H 1 3.242 0.012 . 2 . . . . . 736 R HD# . 26577 1 1530 . 1 1 154 154 ARG HD3 H 1 3.242 0.012 . 2 . . . . . 736 R HD# . 26577 1 1531 . 1 1 154 154 ARG C C 13 179.76 0.006 . 1 . . . . . 736 R C . 26577 1 1532 . 1 1 154 154 ARG CA C 13 59.741 0.06 . 1 . . . . . 736 R CA . 26577 1 1533 . 1 1 154 154 ARG CB C 13 29.849 0.076 . 1 . . . . . 736 R CB . 26577 1 1534 . 1 1 154 154 ARG CG C 13 26.766 0 . 1 . . . . . 736 R CG . 26577 1 1535 . 1 1 154 154 ARG CD C 13 43.665 0.037 . 1 . . . . . 736 R CD . 26577 1 1536 . 1 1 154 154 ARG N N 15 120.516 0.022 . 1 . . . . . 736 R N . 26577 1 1537 . 1 1 155 155 ILE H H 1 8.5 0.012 . 1 . . . . . 737 I H . 26577 1 1538 . 1 1 155 155 ILE HA H 1 3.763 0.012 . 1 . . . . . 737 I HA . 26577 1 1539 . 1 1 155 155 ILE HB H 1 1.972 0.038 . 1 . . . . . 737 I HB . 26577 1 1540 . 1 1 155 155 ILE HG12 H 1 1.701 0.006 . 2 . . . . . 737 I HG12 . 26577 1 1541 . 1 1 155 155 ILE HG13 H 1 1.29 0.012 . 2 . . . . . 737 I HG13 . 26577 1 1542 . 1 1 155 155 ILE HG21 H 1 0.786 0.006 . 1 . . . . . 737 I HG2# . 26577 1 1543 . 1 1 155 155 ILE HG22 H 1 0.786 0.006 . 1 . . . . . 737 I HG2# . 26577 1 1544 . 1 1 155 155 ILE HG23 H 1 0.786 0.006 . 1 . . . . . 737 I HG2# . 26577 1 1545 . 1 1 155 155 ILE HD11 H 1 0.762 0.01 . 1 . . . . . 737 I HD1# . 26577 1 1546 . 1 1 155 155 ILE HD12 H 1 0.762 0.01 . 1 . . . . . 737 I HD1# . 26577 1 1547 . 1 1 155 155 ILE HD13 H 1 0.762 0.01 . 1 . . . . . 737 I HD1# . 26577 1 1548 . 1 1 155 155 ILE C C 13 178.644 0.018 . 1 . . . . . 737 I C . 26577 1 1549 . 1 1 155 155 ILE CA C 13 64.946 0.032 . 1 . . . . . 737 I CA . 26577 1 1550 . 1 1 155 155 ILE CB C 13 36.515 0.033 . 1 . . . . . 737 I CB . 26577 1 1551 . 1 1 155 155 ILE CG2 C 13 17.645 0.018 . 1 . . . . . 737 I CG2 . 26577 1 1552 . 1 1 155 155 ILE CD1 C 13 12.705 0.016 . 1 . . . . . 737 I CD1 . 26577 1 1553 . 1 1 155 155 ILE N N 15 122.512 0.031 . 1 . . . . . 737 I N . 26577 1 1554 . 1 1 156 156 GLY H H 1 9.132 0.007 . 1 . . . . . 738 G H . 26577 1 1555 . 1 1 156 156 GLY HA2 H 1 3.674 0.014 . 2 . . . . . 738 G HA# . 26577 1 1556 . 1 1 156 156 GLY HA3 H 1 3.674 0.014 . 2 . . . . . 738 G HA# . 26577 1 1557 . 1 1 156 156 GLY C C 13 174.771 0 . 1 . . . . . 738 G C . 26577 1 1558 . 1 1 156 156 GLY CA C 13 48.013 0.04 . 1 . . . . . 738 G CA . 26577 1 1559 . 1 1 156 156 GLY N N 15 109.304 0.011 . 1 . . . . . 738 G N . 26577 1 1560 . 1 1 157 157 ASN H H 1 8.165 0.011 . 1 . . . . . 739 N H . 26577 1 1561 . 1 1 157 157 ASN HA H 1 4.985 0.013 . 1 . . . . . 739 N HA . 26577 1 1562 . 1 1 157 157 ASN HB2 H 1 3.097 0 . 2 . . . . . 739 N HB2 . 26577 1 1563 . 1 1 157 157 ASN HB3 H 1 3.037 0 . 2 . . . . . 739 N HB3 . 26577 1 1564 . 1 1 157 157 ASN C C 13 178.298 0.025 . 1 . . . . . 739 N C . 26577 1 1565 . 1 1 157 157 ASN CA C 13 56.297 0.047 . 1 . . . . . 739 N CA . 26577 1 1566 . 1 1 157 157 ASN CB C 13 38.994 0.024 . 1 . . . . . 739 N CB . 26577 1 1567 . 1 1 157 157 ASN N N 15 119.889 0.019 . 1 . . . . . 739 N N . 26577 1 1568 . 1 1 158 158 GLN H H 1 8.325 0.004 . 1 . . . . . 740 Q H . 26577 1 1569 . 1 1 158 158 GLN HA H 1 4.028 0.005 . 1 . . . . . 740 Q HA . 26577 1 1570 . 1 1 158 158 GLN HB2 H 1 2.224 0 . 2 . . . . . 740 Q HB# . 26577 1 1571 . 1 1 158 158 GLN HB3 H 1 2.224 0 . 2 . . . . . 740 Q HB# . 26577 1 1572 . 1 1 158 158 GLN HG2 H 1 2.525 0.01 . 2 . . . . . 740 Q HG# . 26577 1 1573 . 1 1 158 158 GLN HG3 H 1 2.525 0.01 . 2 . . . . . 740 Q HG# . 26577 1 1574 . 1 1 158 158 GLN C C 13 178.829 0 . 1 . . . . . 740 Q C . 26577 1 1575 . 1 1 158 158 GLN CA C 13 58.895 0 . 1 . . . . . 740 Q CA . 26577 1 1576 . 1 1 158 158 GLN CB C 13 28.297 0 . 1 . . . . . 740 Q CB . 26577 1 1577 . 1 1 158 158 GLN CG C 13 34.105 0 . 1 . . . . . 740 Q CG . 26577 1 1578 . 1 1 158 158 GLN N N 15 120.839 0.057 . 1 . . . . . 740 Q N . 26577 1 1579 . 1 1 159 159 LEU H H 1 8.888 0.005 . 1 . . . . . 741 L H . 26577 1 1580 . 1 1 159 159 LEU HA H 1 4.094 0.034 . 1 . . . . . 741 L HA . 26577 1 1581 . 1 1 159 159 LEU HB2 H 1 2.033 0 . 2 . . . . . 741 L HB2 . 26577 1 1582 . 1 1 159 159 LEU HB3 H 1 1.667 0 . 2 . . . . . 741 L HB3 . 26577 1 1583 . 1 1 159 159 LEU HD11 H 1 0.852 0.01 . 1 . . . . . 741 L HD1# . 26577 1 1584 . 1 1 159 159 LEU HD12 H 1 0.852 0.01 . 1 . . . . . 741 L HD1# . 26577 1 1585 . 1 1 159 159 LEU HD13 H 1 0.852 0.01 . 1 . . . . . 741 L HD1# . 26577 1 1586 . 1 1 159 159 LEU HD21 H 1 0.87 0.014 . 1 . . . . . 741 L HD2# . 26577 1 1587 . 1 1 159 159 LEU HD22 H 1 0.87 0.014 . 1 . . . . . 741 L HD2# . 26577 1 1588 . 1 1 159 159 LEU HD23 H 1 0.87 0.014 . 1 . . . . . 741 L HD2# . 26577 1 1589 . 1 1 159 159 LEU C C 13 177.819 0.014 . 1 . . . . . 741 L C . 26577 1 1590 . 1 1 159 159 LEU CA C 13 57.941 0.096 . 1 . . . . . 741 L CA . 26577 1 1591 . 1 1 159 159 LEU CB C 13 41.341 0 . 1 . . . . . 741 L CB . 26577 1 1592 . 1 1 159 159 LEU CD1 C 13 23.638 0.061 . 1 . . . . . 741 L CD1 . 26577 1 1593 . 1 1 159 159 LEU CD2 C 13 25.539 0.036 . 1 . . . . . 741 L CD2 . 26577 1 1594 . 1 1 159 159 LEU N N 15 122.968 0.012 . 1 . . . . . 741 L N . 26577 1 1595 . 1 1 160 160 GLY H H 1 8.129 0.013 . 1 . . . . . 742 G H . 26577 1 1596 . 1 1 160 160 GLY HA2 H 1 4.241 0.006 . 2 . . . . . 742 G HA2 . 26577 1 1597 . 1 1 160 160 GLY HA3 H 1 3.205 0.009 . 2 . . . . . 742 G HA3 . 26577 1 1598 . 1 1 160 160 GLY C C 13 176.008 0.028 . 1 . . . . . 742 G C . 26577 1 1599 . 1 1 160 160 GLY CA C 13 47.867 0.048 . 1 . . . . . 742 G CA . 26577 1 1600 . 1 1 160 160 GLY N N 15 106.234 0.018 . 1 . . . . . 742 G N . 26577 1 1601 . 1 1 161 161 LEU H H 1 7.922 0.011 . 1 . . . . . 743 L H . 26577 1 1602 . 1 1 161 161 LEU HA H 1 4.25 0.024 . 1 . . . . . 743 L HA . 26577 1 1603 . 1 1 161 161 LEU HB2 H 1 1.863 0.008 . 2 . . . . . 743 L HB2 . 26577 1 1604 . 1 1 161 161 LEU HB3 H 1 1.589 0.011 . 2 . . . . . 743 L HB3 . 26577 1 1605 . 1 1 161 161 LEU HG H 1 1.644 0 . 1 . . . . . 743 L HG . 26577 1 1606 . 1 1 161 161 LEU HD11 H 1 0.945 0 . 1 . . . . . 743 L HD1# . 26577 1 1607 . 1 1 161 161 LEU HD12 H 1 0.945 0 . 1 . . . . . 743 L HD1# . 26577 1 1608 . 1 1 161 161 LEU HD13 H 1 0.945 0 . 1 . . . . . 743 L HD1# . 26577 1 1609 . 1 1 161 161 LEU HD21 H 1 0.945 0.002 . 1 . . . . . 743 L HD2# . 26577 1 1610 . 1 1 161 161 LEU HD22 H 1 0.945 0.002 . 1 . . . . . 743 L HD2# . 26577 1 1611 . 1 1 161 161 LEU HD23 H 1 0.945 0.002 . 1 . . . . . 743 L HD2# . 26577 1 1612 . 1 1 161 161 LEU C C 13 179.976 0.018 . 1 . . . . . 743 L C . 26577 1 1613 . 1 1 161 161 LEU CA C 13 57.955 0.052 . 1 . . . . . 743 L CA . 26577 1 1614 . 1 1 161 161 LEU CB C 13 41.99 0.01 . 1 . . . . . 743 L CB . 26577 1 1615 . 1 1 161 161 LEU CG C 13 27.229 0 . 1 . . . . . 743 L CG . 26577 1 1616 . 1 1 161 161 LEU CD1 C 13 25.026 0 . 1 . . . . . 743 L CD1 . 26577 1 1617 . 1 1 161 161 LEU CD2 C 13 23.745 0.031 . 1 . . . . . 743 L CD2 . 26577 1 1618 . 1 1 161 161 LEU N N 15 121.094 0.043 . 1 . . . . . 743 L N . 26577 1 1619 . 1 1 162 162 ALA H H 1 7.987 0.002 . 1 . . . . . 744 A H . 26577 1 1620 . 1 1 162 162 ALA HA H 1 4.13 0.007 . 1 . . . . . 744 A HA . 26577 1 1621 . 1 1 162 162 ALA HB1 H 1 1.447 0.01 . 1 . . . . . 744 A HB# . 26577 1 1622 . 1 1 162 162 ALA HB2 H 1 1.447 0.01 . 1 . . . . . 744 A HB# . 26577 1 1623 . 1 1 162 162 ALA HB3 H 1 1.447 0.01 . 1 . . . . . 744 A HB# . 26577 1 1624 . 1 1 162 162 ALA C C 13 180.933 0 . 1 . . . . . 744 A C . 26577 1 1625 . 1 1 162 162 ALA CA C 13 54.796 0.01 . 1 . . . . . 744 A CA . 26577 1 1626 . 1 1 162 162 ALA CB C 13 17.899 0.049 . 1 . . . . . 744 A CB . 26577 1 1627 . 1 1 162 162 ALA N N 15 122.544 0.033 . 1 . . . . . 744 A N . 26577 1 1628 . 1 1 163 163 LEU H H 1 8.187 0.015 . 1 . . . . . 745 L H . 26577 1 1629 . 1 1 163 163 LEU HA H 1 3.841 0.013 . 1 . . . . . 745 L HA . 26577 1 1630 . 1 1 163 163 LEU HB2 H 1 1.499 0.016 . 2 . . . . . 745 L HB2 . 26577 1 1631 . 1 1 163 163 LEU HB3 H 1 0.846 0.01 . 2 . . . . . 745 L HB3 . 26577 1 1632 . 1 1 163 163 LEU HG H 1 1.375 0.006 . 1 . . . . . 745 L HG . 26577 1 1633 . 1 1 163 163 LEU HD11 H 1 -0.677 0.007 . 1 . . . . . 745 L HD1# . 26577 1 1634 . 1 1 163 163 LEU HD12 H 1 -0.677 0.007 . 1 . . . . . 745 L HD1# . 26577 1 1635 . 1 1 163 163 LEU HD13 H 1 -0.677 0.007 . 1 . . . . . 745 L HD1# . 26577 1 1636 . 1 1 163 163 LEU HD21 H 1 0.381 0.01 . 1 . . . . . 745 L HD2# . 26577 1 1637 . 1 1 163 163 LEU HD22 H 1 0.381 0.01 . 1 . . . . . 745 L HD2# . 26577 1 1638 . 1 1 163 163 LEU HD23 H 1 0.381 0.01 . 1 . . . . . 745 L HD2# . 26577 1 1639 . 1 1 163 163 LEU C C 13 179.179 0.018 . 1 . . . . . 745 L C . 26577 1 1640 . 1 1 163 163 LEU CA C 13 57.008 0.035 . 1 . . . . . 745 L CA . 26577 1 1641 . 1 1 163 163 LEU CB C 13 41.384 0.009 . 1 . . . . . 745 L CB . 26577 1 1642 . 1 1 163 163 LEU CG C 13 26.05 0.034 . 1 . . . . . 745 L CG . 26577 1 1643 . 1 1 163 163 LEU CD1 C 13 23.264 0.017 . 1 . . . . . 745 L CD1 . 26577 1 1644 . 1 1 163 163 LEU CD2 C 13 22.001 0.019 . 1 . . . . . 745 L CD2 . 26577 1 1645 . 1 1 163 163 LEU N N 15 119.056 0.047 . 1 . . . . . 745 L N . 26577 1 1646 . 1 1 164 164 GLN H H 1 8.021 0.002 . 1 . . . . . 746 Q H . 26577 1 1647 . 1 1 164 164 GLN HA H 1 4.123 0.016 . 1 . . . . . 746 Q HA . 26577 1 1648 . 1 1 164 164 GLN HB2 H 1 2.131 0 . 2 . . . . . 746 Q HB# . 26577 1 1649 . 1 1 164 164 GLN HB3 H 1 2.131 0 . 2 . . . . . 746 Q HB# . 26577 1 1650 . 1 1 164 164 GLN HG2 H 1 2.331 0.013 . 2 . . . . . 746 Q HG# . 26577 1 1651 . 1 1 164 164 GLN HG3 H 1 2.331 0.013 . 2 . . . . . 746 Q HG# . 26577 1 1652 . 1 1 164 164 GLN C C 13 177.432 0.003 . 1 . . . . . 746 Q C . 26577 1 1653 . 1 1 164 164 GLN CA C 13 58.34 0.014 . 1 . . . . . 746 Q CA . 26577 1 1654 . 1 1 164 164 GLN CB C 13 29.456 0.038 . 1 . . . . . 746 Q CB . 26577 1 1655 . 1 1 164 164 GLN CG C 13 34.044 0 . 1 . . . . . 746 Q CG . 26577 1 1656 . 1 1 164 164 GLN N N 15 119.205 0 . 1 . . . . . 746 Q N . 26577 1 1657 . 1 1 165 165 GLN H H 1 7.88 0.003 . 1 . . . . . 747 Q H . 26577 1 1658 . 1 1 165 165 GLN HA H 1 4.3 0.006 . 1 . . . . . 747 Q HA . 26577 1 1659 . 1 1 165 165 GLN HB2 H 1 2.198 0.005 . 2 . . . . . 747 Q HB# . 26577 1 1660 . 1 1 165 165 GLN HB3 H 1 2.198 0.005 . 2 . . . . . 747 Q HB# . 26577 1 1661 . 1 1 165 165 GLN HG2 H 1 2.5 0.002 . 2 . . . . . 747 Q HG# . 26577 1 1662 . 1 1 165 165 GLN HG3 H 1 2.5 0.002 . 2 . . . . . 747 Q HG# . 26577 1 1663 . 1 1 165 165 GLN C C 13 177.108 0.002 . 1 . . . . . 747 Q C . 26577 1 1664 . 1 1 165 165 GLN CA C 13 57.099 0.023 . 1 . . . . . 747 Q CA . 26577 1 1665 . 1 1 165 165 GLN CB C 13 29.022 0 . 1 . . . . . 747 Q CB . 26577 1 1666 . 1 1 165 165 GLN CG C 13 33.803 0 . 1 . . . . . 747 Q CG . 26577 1 1667 . 1 1 165 165 GLN N N 15 117.285 0.02 . 1 . . . . . 747 Q N . 26577 1 1668 . 1 1 166 166 THR H H 1 7.894 0.009 . 1 . . . . . 748 T H . 26577 1 1669 . 1 1 166 166 THR HA H 1 4.223 0 . 1 . . . . . 748 T HA . 26577 1 1670 . 1 1 166 166 THR HB H 1 4.171 0.005 . 1 . . . . . 748 T HB . 26577 1 1671 . 1 1 166 166 THR HG21 H 1 1.19 0.005 . 1 . . . . . 748 T HG2# . 26577 1 1672 . 1 1 166 166 THR HG22 H 1 1.19 0.005 . 1 . . . . . 748 T HG2# . 26577 1 1673 . 1 1 166 166 THR HG23 H 1 1.19 0.005 . 1 . . . . . 748 T HG2# . 26577 1 1674 . 1 1 166 166 THR C C 13 175.44 0.001 . 1 . . . . . 748 T C . 26577 1 1675 . 1 1 166 166 THR CA C 13 64.127 0.067 . 1 . . . . . 748 T CA . 26577 1 1676 . 1 1 166 166 THR CB C 13 69.82 0.2 . 1 . . . . . 748 T CB . 26577 1 1677 . 1 1 166 166 THR CG2 C 13 21.751 0.031 . 1 . . . . . 748 T CG2 . 26577 1 1678 . 1 1 166 166 THR N N 15 113.314 0.041 . 1 . . . . . 748 T N . 26577 1 1679 . 1 1 167 167 GLU H H 1 8.288 0.014 . 1 . . . . . 749 E H . 26577 1 1680 . 1 1 167 167 GLU HA H 1 4.201 0.008 . 1 . . . . . 749 E HA . 26577 1 1681 . 1 1 167 167 GLU HB2 H 1 2.03 0.008 . 2 . . . . . 749 E HB# . 26577 1 1682 . 1 1 167 167 GLU HB3 H 1 2.03 0.008 . 2 . . . . . 749 E HB# . 26577 1 1683 . 1 1 167 167 GLU HG2 H 1 2.236 0.013 . 2 . . . . . 749 E HG# . 26577 1 1684 . 1 1 167 167 GLU HG3 H 1 2.236 0.013 . 2 . . . . . 749 E HG# . 26577 1 1685 . 1 1 167 167 GLU C C 13 177.437 0 . 1 . . . . . 749 E C . 26577 1 1686 . 1 1 167 167 GLU CA C 13 58.201 0.041 . 1 . . . . . 749 E CA . 26577 1 1687 . 1 1 167 167 GLU CB C 13 29.575 0 . 1 . . . . . 749 E CB . 26577 1 1688 . 1 1 167 167 GLU CG C 13 36.407 0 . 1 . . . . . 749 E CG . 26577 1 1689 . 1 1 167 167 GLU N N 15 121.9 0.001 . 1 . . . . . 749 E N . 26577 1 1690 . 1 1 168 168 TYR H H 1 8.009 0.009 . 1 . . . . . 750 Y H . 26577 1 1691 . 1 1 168 168 TYR HA H 1 4.482 0.006 . 1 . . . . . 750 Y HA . 26577 1 1692 . 1 1 168 168 TYR HB2 H 1 3.095 0.005 . 2 . . . . . 750 Y HB# . 26577 1 1693 . 1 1 168 168 TYR HB3 H 1 3.095 0.005 . 2 . . . . . 750 Y HB# . 26577 1 1694 . 1 1 168 168 TYR HD1 H 1 7.12 0.007 . 3 . . . . . 750 Y HD# . 26577 1 1695 . 1 1 168 168 TYR HD2 H 1 7.12 0.007 . 3 . . . . . 750 Y HD# . 26577 1 1696 . 1 1 168 168 TYR HE1 H 1 6.844 0.007 . 3 . . . . . 750 Y HE# . 26577 1 1697 . 1 1 168 168 TYR HE2 H 1 6.844 0.007 . 3 . . . . . 750 Y HE# . 26577 1 1698 . 1 1 168 168 TYR C C 13 176.611 0.001 . 1 . . . . . 750 Y C . 26577 1 1699 . 1 1 168 168 TYR CA C 13 59.201 0.129 . 1 . . . . . 750 Y CA . 26577 1 1700 . 1 1 168 168 TYR CB C 13 38.378 0.03 . 1 . . . . . 750 Y CB . 26577 1 1701 . 1 1 168 168 TYR N N 15 119.875 0.02 . 1 . . . . . 750 Y N . 26577 1 1702 . 1 1 169 169 LEU H H 1 7.941 0.004 . 1 . . . . . 751 L H . 26577 1 1703 . 1 1 169 169 LEU HA H 1 4.178 0.009 . 1 . . . . . 751 L HA . 26577 1 1704 . 1 1 169 169 LEU HB2 H 1 1.73 0.004 . 2 . . . . . 751 L HB2 . 26577 1 1705 . 1 1 169 169 LEU HB3 H 1 1.591 0.008 . 2 . . . . . 751 L HB3 . 26577 1 1706 . 1 1 169 169 LEU HG H 1 1.633 0.008 . 1 . . . . . 751 L HG . 26577 1 1707 . 1 1 169 169 LEU HD11 H 1 0.922 0.005 . 1 . . . . . 751 L HD1# . 26577 1 1708 . 1 1 169 169 LEU HD12 H 1 0.922 0.005 . 1 . . . . . 751 L HD1# . 26577 1 1709 . 1 1 169 169 LEU HD13 H 1 0.922 0.005 . 1 . . . . . 751 L HD1# . 26577 1 1710 . 1 1 169 169 LEU HD21 H 1 0.877 0.003 . 1 . . . . . 751 L HD2# . 26577 1 1711 . 1 1 169 169 LEU HD22 H 1 0.877 0.003 . 1 . . . . . 751 L HD2# . 26577 1 1712 . 1 1 169 169 LEU HD23 H 1 0.877 0.003 . 1 . . . . . 751 L HD2# . 26577 1 1713 . 1 1 169 169 LEU C C 13 178.017 0.002 . 1 . . . . . 751 L C . 26577 1 1714 . 1 1 169 169 LEU CA C 13 56.167 0.068 . 1 . . . . . 751 L CA . 26577 1 1715 . 1 1 169 169 LEU CB C 13 42.016 0.016 . 1 . . . . . 751 L CB . 26577 1 1716 . 1 1 169 169 LEU CG C 13 27 0 . 1 . . . . . 751 L CG . 26577 1 1717 . 1 1 169 169 LEU CD1 C 13 25.14 0.025 . 1 . . . . . 751 L CD1 . 26577 1 1718 . 1 1 169 169 LEU CD2 C 13 23.512 0.035 . 1 . . . . . 751 L CD2 . 26577 1 1719 . 1 1 169 169 LEU N N 15 120.842 0.053 . 1 . . . . . 751 L N . 26577 1 1720 . 1 1 170 170 GLN H H 1 8.077 0.01 . 1 . . . . . 752 Q H . 26577 1 1721 . 1 1 170 170 GLN HA H 1 4.231 0.003 . 1 . . . . . 752 Q HA . 26577 1 1722 . 1 1 170 170 GLN HB2 H 1 2.105 0.005 . 2 . . . . . 752 Q HB# . 26577 1 1723 . 1 1 170 170 GLN HB3 H 1 2.105 0.005 . 2 . . . . . 752 Q HB# . 26577 1 1724 . 1 1 170 170 GLN HG2 H 1 2.43 0.004 . 2 . . . . . 752 Q HG# . 26577 1 1725 . 1 1 170 170 GLN HG3 H 1 2.43 0.004 . 2 . . . . . 752 Q HG# . 26577 1 1726 . 1 1 170 170 GLN C C 13 176.803 0.008 . 1 . . . . . 752 Q C . 26577 1 1727 . 1 1 170 170 GLN CA C 13 56.763 0.044 . 1 . . . . . 752 Q CA . 26577 1 1728 . 1 1 170 170 GLN CB C 13 29.026 0 . 1 . . . . . 752 Q CB . 26577 1 1729 . 1 1 170 170 GLN CG C 13 33.999 0 . 1 . . . . . 752 Q CG . 26577 1 1730 . 1 1 170 170 GLN N N 15 118.903 0.028 . 1 . . . . . 752 Q N . 26577 1 1731 . 1 1 171 171 GLN H H 1 8.157 0 . 1 . . . . . 753 Q H . 26577 1 1732 . 1 1 171 171 GLN HA H 1 4.301 0.006 . 1 . . . . . 753 Q HA . 26577 1 1733 . 1 1 171 171 GLN HB2 H 1 2.091 0.004 . 2 . . . . . 753 Q HB# . 26577 1 1734 . 1 1 171 171 GLN HB3 H 1 2.091 0.004 . 2 . . . . . 753 Q HB# . 26577 1 1735 . 1 1 171 171 GLN HG2 H 1 2.407 0.008 . 2 . . . . . 753 Q HG# . 26577 1 1736 . 1 1 171 171 GLN HG3 H 1 2.407 0.008 . 2 . . . . . 753 Q HG# . 26577 1 1737 . 1 1 171 171 GLN C C 13 176.766 0.003 . 1 . . . . . 753 Q C . 26577 1 1738 . 1 1 171 171 GLN CA C 13 56.67 0.017 . 1 . . . . . 753 Q CA . 26577 1 1739 . 1 1 171 171 GLN CB C 13 29.108 0 . 1 . . . . . 753 Q CB . 26577 1 1740 . 1 1 171 171 GLN CG C 13 33.9 0 . 1 . . . . . 753 Q CG . 26577 1 1741 . 1 1 171 171 GLN N N 15 120.187 0.038 . 1 . . . . . 753 Q N . 26577 1 1742 . 1 1 172 172 VAL H H 1 8.071 0.005 . 1 . . . . . 754 V H . 26577 1 1743 . 1 1 172 172 VAL HA H 1 4.046 0.007 . 1 . . . . . 754 V HA . 26577 1 1744 . 1 1 172 172 VAL HB H 1 2.056 0.006 . 1 . . . . . 754 V HB . 26577 1 1745 . 1 1 172 172 VAL HG11 H 1 0.899 0 . 1 . . . . . 754 V HG1# . 26577 1 1746 . 1 1 172 172 VAL HG12 H 1 0.899 0 . 1 . . . . . 754 V HG1# . 26577 1 1747 . 1 1 172 172 VAL HG13 H 1 0.899 0 . 1 . . . . . 754 V HG1# . 26577 1 1748 . 1 1 172 172 VAL HG21 H 1 0.897 0 . 1 . . . . . 754 V HG2# . 26577 1 1749 . 1 1 172 172 VAL HG22 H 1 0.897 0 . 1 . . . . . 754 V HG2# . 26577 1 1750 . 1 1 172 172 VAL HG23 H 1 0.897 0 . 1 . . . . . 754 V HG2# . 26577 1 1751 . 1 1 172 172 VAL C C 13 176.721 0.002 . 1 . . . . . 754 V C . 26577 1 1752 . 1 1 172 172 VAL CA C 13 63.031 0.046 . 1 . . . . . 754 V CA . 26577 1 1753 . 1 1 172 172 VAL CB C 13 32.52 0.04 . 1 . . . . . 754 V CB . 26577 1 1754 . 1 1 172 172 VAL CG1 C 13 21.178 0 . 1 . . . . . 754 V CG1 . 26577 1 1755 . 1 1 172 172 VAL CG2 C 13 20.825 0 . 1 . . . . . 754 V CG2 . 26577 1 1756 . 1 1 172 172 VAL N N 15 120.137 0.023 . 1 . . . . . 754 V N . 26577 1 1757 . 1 1 173 173 GLN H H 1 8.369 0.001 . 1 . . . . . 755 Q H . 26577 1 1758 . 1 1 173 173 GLN HA H 1 4.308 0.004 . 1 . . . . . 755 Q HA . 26577 1 1759 . 1 1 173 173 GLN HB2 H 1 2.066 0.01 . 2 . . . . . 755 Q HB# . 26577 1 1760 . 1 1 173 173 GLN HB3 H 1 2.066 0.01 . 2 . . . . . 755 Q HB# . 26577 1 1761 . 1 1 173 173 GLN HG2 H 1 2.406 0.006 . 2 . . . . . 755 Q HG# . 26577 1 1762 . 1 1 173 173 GLN HG3 H 1 2.406 0.006 . 2 . . . . . 755 Q HG# . 26577 1 1763 . 1 1 173 173 GLN C C 13 176.786 0.012 . 1 . . . . . 755 Q C . 26577 1 1764 . 1 1 173 173 GLN CA C 13 56.485 0.051 . 1 . . . . . 755 Q CA . 26577 1 1765 . 1 1 173 173 GLN CB C 13 29.223 0 . 1 . . . . . 755 Q CB . 26577 1 1766 . 1 1 173 173 GLN CG C 13 33.866 0 . 1 . . . . . 755 Q CG . 26577 1 1767 . 1 1 173 173 GLN N N 15 122.899 0.018 . 1 . . . . . 755 Q N . 26577 1 1768 . 1 1 174 174 GLY H H 1 8.362 0 . 1 . . . . . 756 G H . 26577 1 1769 . 1 1 174 174 GLY HA2 H 1 3.978 0 . 2 . . . . . 756 G HA# . 26577 1 1770 . 1 1 174 174 GLY HA3 H 1 3.978 0 . 2 . . . . . 756 G HA# . 26577 1 1771 . 1 1 174 174 GLY C C 13 174.28 0.003 . 1 . . . . . 756 G C . 26577 1 1772 . 1 1 174 174 GLY CA C 13 45.515 0.014 . 1 . . . . . 756 G CA . 26577 1 1773 . 1 1 174 174 GLY N N 15 109.618 0 . 1 . . . . . 756 G N . 26577 1 1774 . 1 1 175 175 GLN H H 1 8.212 0 . 1 . . . . . 757 Q H . 26577 1 1775 . 1 1 175 175 GLN HA H 1 4.396 0.014 . 1 . . . . . 757 Q HA . 26577 1 1776 . 1 1 175 175 GLN HB2 H 1 2.061 0.016 . 2 . . . . . 757 Q HB# . 26577 1 1777 . 1 1 175 175 GLN HB3 H 1 2.061 0.016 . 2 . . . . . 757 Q HB# . 26577 1 1778 . 1 1 175 175 GLN HG2 H 1 2.377 0.002 . 2 . . . . . 757 Q HG# . 26577 1 1779 . 1 1 175 175 GLN HG3 H 1 2.377 0.002 . 2 . . . . . 757 Q HG# . 26577 1 1780 . 1 1 175 175 GLN C C 13 176.156 0.001 . 1 . . . . . 757 Q C . 26577 1 1781 . 1 1 175 175 GLN CA C 13 55.955 0.027 . 1 . . . . . 757 Q CA . 26577 1 1782 . 1 1 175 175 GLN CB C 13 29.524 0 . 1 . . . . . 757 Q CB . 26577 1 1783 . 1 1 175 175 GLN CG C 13 33.824 0 . 1 . . . . . 757 Q CG . 26577 1 1784 . 1 1 175 175 GLN N N 15 119.69 0 . 1 . . . . . 757 Q N . 26577 1 1785 . 1 1 176 176 SER H H 1 8.358 0 . 1 . . . . . 758 S H . 26577 1 1786 . 1 1 176 176 SER HA H 1 4.435 0 . 1 . . . . . 758 S HA . 26577 1 1787 . 1 1 176 176 SER HB2 H 1 3.877 0 . 2 . . . . . 758 S HB# . 26577 1 1788 . 1 1 176 176 SER HB3 H 1 3.877 0 . 2 . . . . . 758 S HB# . 26577 1 1789 . 1 1 176 176 SER C C 13 174.07 0 . 1 . . . . . 758 S C . 26577 1 1790 . 1 1 176 176 SER CA C 13 58.446 0.005 . 1 . . . . . 758 S CA . 26577 1 1791 . 1 1 176 176 SER CB C 13 63.982 0 . 1 . . . . . 758 S CB . 26577 1 1792 . 1 1 176 176 SER N N 15 116.942 0 . 1 . . . . . 758 S N . 26577 1 1793 . 1 1 177 177 ALA H H 1 8.302 0 . 1 . . . . . 759 A H . 26577 1 1794 . 1 1 177 177 ALA HA H 1 4.336 0.013 . 1 . . . . . 759 A HA . 26577 1 1795 . 1 1 177 177 ALA HB1 H 1 1.386 0.011 . 1 . . . . . 759 A HB# . 26577 1 1796 . 1 1 177 177 ALA HB2 H 1 1.386 0.011 . 1 . . . . . 759 A HB# . 26577 1 1797 . 1 1 177 177 ALA HB3 H 1 1.386 0.011 . 1 . . . . . 759 A HB# . 26577 1 1798 . 1 1 177 177 ALA C C 13 177.295 0.006 . 1 . . . . . 759 A C . 26577 1 1799 . 1 1 177 177 ALA CA C 13 52.388 0.038 . 1 . . . . . 759 A CA . 26577 1 1800 . 1 1 177 177 ALA CB C 13 19.319 0.033 . 1 . . . . . 759 A CB . 26577 1 1801 . 1 1 177 177 ALA N N 15 125.875 0.001 . 1 . . . . . 759 A N . 26577 1 1802 . 1 1 178 178 LYS H H 1 8.301 0 . 1 . . . . . 760 K H . 26577 1 1803 . 1 1 178 178 LYS HA H 1 4.616 0.002 . 1 . . . . . 760 K HA . 26577 1 1804 . 1 1 178 178 LYS HB3 H 1 1.819 0.039 . 2 . . . . . 760 K HB3 . 26577 1 1805 . 1 1 178 178 LYS HG2 H 1 1.471 0.006 . 2 . . . . . 760 K HG# . 26577 1 1806 . 1 1 178 178 LYS HG3 H 1 1.471 0.006 . 2 . . . . . 760 K HG# . 26577 1 1807 . 1 1 178 178 LYS HD2 H 1 1.698 0.003 . 2 . . . . . 760 K HD# . 26577 1 1808 . 1 1 178 178 LYS HD3 H 1 1.698 0.003 . 2 . . . . . 760 K HD# . 26577 1 1809 . 1 1 178 178 LYS HE2 H 1 3.014 0.003 . 2 . . . . . 760 K HE# . 26577 1 1810 . 1 1 178 178 LYS HE3 H 1 3.014 0.003 . 2 . . . . . 760 K HE# . 26577 1 1811 . 1 1 178 178 LYS C C 13 174.585 0 . 1 . . . . . 760 K C . 26577 1 1812 . 1 1 178 178 LYS CA C 13 54.158 0.035 . 1 . . . . . 760 K CA . 26577 1 1813 . 1 1 178 178 LYS CB C 13 32.729 0.067 . 1 . . . . . 760 K CB . 26577 1 1814 . 1 1 178 178 LYS CG C 13 24.526 0.035 . 1 . . . . . 760 K CG . 26577 1 1815 . 1 1 178 178 LYS CD C 13 29.173 0.038 . 1 . . . . . 760 K CD . 26577 1 1816 . 1 1 178 178 LYS CE C 13 42.194 0.014 . 1 . . . . . 760 K CE . 26577 1 1817 . 1 1 178 178 LYS N N 15 122.153 0 . 1 . . . . . 760 K N . 26577 1 1818 . 1 1 179 179 PRO HA H 1 4.445 0.001 . 1 . . . . . 761 P HA . 26577 1 1819 . 1 1 179 179 PRO HB3 H 1 2.182 0.149 . 2 . . . . . 761 P HB3 . 26577 1 1820 . 1 1 179 179 PRO HG2 H 1 2.04 0.008 . 2 . . . . . 761 P HG# . 26577 1 1821 . 1 1 179 179 PRO HG3 H 1 2.04 0.008 . 2 . . . . . 761 P HG# . 26577 1 1822 . 1 1 179 179 PRO HD2 H 1 3.823 0.001 . 2 . . . . . 761 P HD2 . 26577 1 1823 . 1 1 179 179 PRO HD3 H 1 3.679 0 . 2 . . . . . 761 P HD3 . 26577 1 1824 . 1 1 179 179 PRO C C 13 176.416 0 . 1 . . . . . 761 P C . 26577 1 1825 . 1 1 179 179 PRO CA C 13 63.459 0.035 . 1 . . . . . 761 P CA . 26577 1 1826 . 1 1 179 179 PRO CB C 13 32.146 0.027 . 1 . . . . . 761 P CB . 26577 1 1827 . 1 1 179 179 PRO CG C 13 27.271 0.013 . 1 . . . . . 761 P CG . 26577 1 1828 . 1 1 179 179 PRO CD C 13 50.72 0.018 . 1 . . . . . 761 P CD . 26577 1 1829 . 1 1 180 180 GLY H H 1 8.015 0.005 . 1 . . . . . 762 G H . 26577 1 1830 . 1 1 180 180 GLY HA2 H 1 3.766 0.007 . 2 . . . . . 762 G HA# . 26577 1 1831 . 1 1 180 180 GLY HA3 H 1 3.766 0.007 . 2 . . . . . 762 G HA# . 26577 1 1832 . 1 1 180 180 GLY C C 13 179.037 0 . 1 . . . . . 762 G C . 26577 1 1833 . 1 1 180 180 GLY CA C 13 46.158 0.003 . 1 . . . . . 762 G CA . 26577 1 1834 . 1 1 180 180 GLY N N 15 115.486 0.026 . 1 . . . . . 762 G N . 26577 1 1835 . 2 2 1 1 CYC H2C H 1 2.66 0.011 . 1 . . . . . 800 CYC H2 . 26577 1 1836 . 2 2 1 1 CYC H3C H 1 2.831 0.006 . 1 . . . . . 800 CYC H3 . 26577 1 1837 . 2 2 1 1 CYC HA H 1 11.941 0 . 1 . . . . . 800 CYC HC . 26577 1 1838 . 2 2 1 1 CYC HAB1 H 1 1.793 0.011 . 2 . . . . . 800 CYC H18'1a . 26577 1 1839 . 2 2 1 1 CYC HAB2 H 1 2.136 0.004 . 2 . . . . . 800 CYC H18'1b . 26577 1 1840 . 2 2 1 1 CYC HAC H 1 3.384 0.007 . 1 . . . . . 800 CYC H3'1 . 26577 1 1841 . 2 2 1 1 CYC HB H 1 9.966 0.008 . 1 . . . . . 800 CYC HD . 26577 1 1842 . 2 2 1 1 CYC HBB1 H 1 0.472 0.006 . 1 . . . . . 800 CYC H18'2 . 26577 1 1843 . 2 2 1 1 CYC HBB2 H 1 0.472 0.006 . 1 . . . . . 800 CYC H18'2 . 26577 1 1844 . 2 2 1 1 CYC HBB3 H 1 0.472 0.006 . 1 . . . . . 800 CYC H18'2 . 26577 1 1845 . 2 2 1 1 CYC HBC1 H 1 0.984 0.018 . 1 . . . . . 800 CYC H3'2 . 26577 1 1846 . 2 2 1 1 CYC HBC2 H 1 0.984 0.018 . 1 . . . . . 800 CYC H3'2 . 26577 1 1847 . 2 2 1 1 CYC HBC3 H 1 0.984 0.018 . 1 . . . . . 800 CYC H3'2 . 26577 1 1848 . 2 2 1 1 CYC HHA H 1 7.235 0 . 1 . . . . . 800 CYC H10 . 26577 1 1849 . 2 2 1 1 CYC HHB H 1 6.251 0.007 . 1 . . . . . 800 CYC H15 . 26577 1 1850 . 2 2 1 1 CYC HHD H 1 5.563 0.012 . 1 . . . . . 800 CYC H5 . 26577 1 1851 . 2 2 1 1 CYC HMA1 H 1 1.281 0.008 . 1 . . . . . 800 CYC H13'1 . 26577 1 1852 . 2 2 1 1 CYC HMA2 H 1 1.281 0.008 . 1 . . . . . 800 CYC H13'1 . 26577 1 1853 . 2 2 1 1 CYC HMA3 H 1 1.281 0.008 . 1 . . . . . 800 CYC H13'1 . 26577 1 1854 . 2 2 1 1 CYC HMB1 H 1 1.768 0.007 . 1 . . . . . 800 CYC H17'1 . 26577 1 1855 . 2 2 1 1 CYC HMB2 H 1 1.768 0.007 . 1 . . . . . 800 CYC H17'1 . 26577 1 1856 . 2 2 1 1 CYC HMB3 H 1 1.768 0.007 . 1 . . . . . 800 CYC H17'1 . 26577 1 1857 . 2 2 1 1 CYC HMC1 H 1 1.248 0.006 . 1 . . . . . 800 CYC H2'1 . 26577 1 1858 . 2 2 1 1 CYC HMC2 H 1 1.248 0.006 . 1 . . . . . 800 CYC H2'1 . 26577 1 1859 . 2 2 1 1 CYC HMC3 H 1 1.248 0.006 . 1 . . . . . 800 CYC H2'1 . 26577 1 1860 . 2 2 1 1 CYC HMD1 H 1 1.72 0.003 . 1 . . . . . 800 CYC H7'1 . 26577 1 1861 . 2 2 1 1 CYC HMD2 H 1 1.72 0.003 . 1 . . . . . 800 CYC H7'1 . 26577 1 1862 . 2 2 1 1 CYC HMD3 H 1 1.72 0.003 . 1 . . . . . 800 CYC H7'1 . 26577 1 1863 . 2 2 1 1 CYC C1B C 13 148.246 0 . 1 . . . . . 800 CYC C16 . 26577 1 1864 . 2 2 1 1 CYC C2C C 13 39.394 0.015 . 1 . . . . . 800 CYC C2 . 26577 1 1865 . 2 2 1 1 CYC C3C C 13 53.898 0.026 . 1 . . . . . 800 CYC C3 . 26577 1 1866 . 2 2 1 1 CYC C4B C 13 173.929 0 . 1 . . . . . 800 CYC C19 . 26577 1 1867 . 2 2 1 1 CYC CAB C 13 19.295 0.002 . 1 . . . . . 800 CYC C18'1 . 26577 1 1868 . 2 2 1 1 CYC CAC C 13 45.767 0.032 . 1 . . . . . 800 CYC C3'1 . 26577 1 1869 . 2 2 1 1 CYC CBB C 13 14.29 0.01 . 1 . . . . . 800 CYC C18'2 . 26577 1 1870 . 2 2 1 1 CYC CBC C 13 13.342 0.025 . 1 . . . . . 800 CYC C3'2 . 26577 1 1871 . 2 2 1 1 CYC CHB C 13 100.065 0 . 1 . . . . . 800 CYC C15 . 26577 1 1872 . 2 2 1 1 CYC CHD C 13 96.786 0 . 1 . . . . . 800 CYC C5 . 26577 1 1873 . 2 2 1 1 CYC CMA C 13 10.247 0.01 . 1 . . . . . 800 CYC C13'1 . 26577 1 1874 . 2 2 1 1 CYC CMB C 13 14.341 0.009 . 1 . . . . . 800 CYC C17'1 . 26577 1 1875 . 2 2 1 1 CYC CMC C 13 19.587 0.03 . 1 . . . . . 800 CYC C2'1 . 26577 1 1876 . 2 2 1 1 CYC CMD C 13 11.271 0.014 . 1 . . . . . 800 CYC C7'1 . 26577 1 1877 . 2 2 1 1 CYC NA N 15 158.612 0 . 1 . . . . . 800 CYC NC . 26577 1 1878 . 2 2 1 1 CYC NB N 15 131.658 0.024 . 1 . . . . . 800 CYC ND . 26577 1 stop_ save_