data_18599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18599 _Entry.Title ; Solution structure of CCP modules 11-12 of complement factor H ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-18 _Entry.Accession_date 2012-07-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Elisavet Makou . . . 18599 2 Haydyn Mertens . D. . 18599 3 Mateusz Maciejewski . . . 18599 4 Dinesh Soares . C. . 18599 5 Ilias Matis . . . 18599 6 Christoph Schmidt . Q. . 18599 7 Andrew Herbert . P. . 18599 8 Dmitri Svergun . I. . 18599 9 Paul Barlow . N. . 18599 10 C Herbert . . . 18599 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18599 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . MAKOUGroup . 18599 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Complement system' . 18599 'IMMUNE SYSTEM' . 18599 NMR . 18599 'Protein domain' . 18599 SAXS . 18599 'Short consensus repeat' . 18599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 18599 '15N chemical shifts' 125 18599 '1H chemical shifts' 839 18599 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-19 2012-07-18 update BMRB 'update entry citation' 18599 1 . . 2012-10-18 2012-07-18 original author 'original release' 18599 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4B2S 'BMRB Entry Tracking System' 18599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23017427 _Citation.Full_citation . _Citation.Title 'Solution structure of CCP modules 10-12 illuminates functional architecture of the complement regulator, factor H.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 424 _Citation.Journal_issue 5 _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 295 _Citation.Page_last 312 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Elisavet Makou . . . 18599 1 2 Haydyn Mertens . D.T. . 18599 1 3 Mateusz Maciejewski . . . 18599 1 4 Dinesh Soares . C. . 18599 1 5 Ilias Matis . . . 18599 1 6 Christoph Schmidt . Q. . 18599 1 7 Andrew Herbert . P. . 18599 1 8 Dmitri Svergun . I. . 18599 1 9 Paul Barlow . N. . 18599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18599 _Assembly.ID 1 _Assembly.Name FH11-12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all disulfide bound' _Assembly.Molecular_mass 14085.6893 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FH11-12 1 $FH11-12 A . yes native no no . . . 18599 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 FH11-12 1 CYS 39 39 SG . 1 FH11-12 1 CYS 64 64 SG . FH11-12 39 CYS SG . FH11-12 64 CYS SG 18599 1 2 disulfide single . 1 FH11-12 1 CYS 71 71 SG . 1 FH11-12 1 CYS 113 113 SG . FH11-12 71 CYS SG . FH11-12 113 CYS SG 18599 1 3 disulfide single . 1 FH11-12 1 CYS 10 10 SG . 1 FH11-12 1 CYS 53 53 SG . FH11-12 10 CYS SG . FH11-12 53 CYS SG 18599 1 4 disulfide single . 1 FH11-12 1 CYS 99 99 SG . 1 FH11-12 1 CYS 124 124 SG . FH11-12 99 CYS SG . FH11-12 124 CYS SG 18599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FH11-12 _Entity.Sf_category entity _Entity.Sf_framecode FH11-12 _Entity.Entry_ID 18599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FH11-12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EAEAAGVQSCGPPPELLNGN VKEKTKEEYGHSEVVEYYCN PRFLMKGPNKIQCVDGEWTT LPVCIVEESTCGDIPELEHG WAQLSSPPYYYGDSVEFNCS ESFTMIGHRSITCIHGVWTQ LPQCVAI ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 627-747' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14085.6893 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProt CFAH_HUMAN . P08603 . . . . . . . . . . . . . . 18599 1 2 no PDB 4B2S . "Solution Structure Of Ccp Modules 11-12 Of Complement Factor H" . . . . . 100.00 127 100.00 100.00 1.45e-87 . . . . 18599 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 621 GLU . 18599 1 2 622 ALA . 18599 1 3 623 GLU . 18599 1 4 624 ALA . 18599 1 5 625 ALA . 18599 1 6 626 GLY . 18599 1 7 627 VAL . 18599 1 8 628 GLN . 18599 1 9 629 SER . 18599 1 10 630 CYS . 18599 1 11 631 GLY . 18599 1 12 632 PRO . 18599 1 13 633 PRO . 18599 1 14 634 PRO . 18599 1 15 635 GLU . 18599 1 16 636 LEU . 18599 1 17 637 LEU . 18599 1 18 638 ASN . 18599 1 19 639 GLY . 18599 1 20 640 ASN . 18599 1 21 641 VAL . 18599 1 22 642 LYS . 18599 1 23 643 GLU . 18599 1 24 644 LYS . 18599 1 25 645 THR . 18599 1 26 646 LYS . 18599 1 27 647 GLU . 18599 1 28 648 GLU . 18599 1 29 649 TYR . 18599 1 30 650 GLY . 18599 1 31 651 HIS . 18599 1 32 652 SER . 18599 1 33 653 GLU . 18599 1 34 654 VAL . 18599 1 35 655 VAL . 18599 1 36 656 GLU . 18599 1 37 657 TYR . 18599 1 38 658 TYR . 18599 1 39 659 CYS . 18599 1 40 660 ASN . 18599 1 41 661 PRO . 18599 1 42 662 ARG . 18599 1 43 663 PHE . 18599 1 44 664 LEU . 18599 1 45 665 MET . 18599 1 46 666 LYS . 18599 1 47 667 GLY . 18599 1 48 668 PRO . 18599 1 49 669 ASN . 18599 1 50 670 LYS . 18599 1 51 671 ILE . 18599 1 52 672 GLN . 18599 1 53 673 CYS . 18599 1 54 674 VAL . 18599 1 55 675 ASP . 18599 1 56 676 GLY . 18599 1 57 677 GLU . 18599 1 58 678 TRP . 18599 1 59 679 THR . 18599 1 60 680 THR . 18599 1 61 681 LEU . 18599 1 62 682 PRO . 18599 1 63 683 VAL . 18599 1 64 684 CYS . 18599 1 65 685 ILE . 18599 1 66 686 VAL . 18599 1 67 687 GLU . 18599 1 68 688 GLU . 18599 1 69 689 SER . 18599 1 70 690 THR . 18599 1 71 691 CYS . 18599 1 72 692 GLY . 18599 1 73 693 ASP . 18599 1 74 694 ILE . 18599 1 75 695 PRO . 18599 1 76 696 GLU . 18599 1 77 697 LEU . 18599 1 78 698 GLU . 18599 1 79 699 HIS . 18599 1 80 700 GLY . 18599 1 81 701 TRP . 18599 1 82 702 ALA . 18599 1 83 703 GLN . 18599 1 84 704 LEU . 18599 1 85 705 SER . 18599 1 86 706 SER . 18599 1 87 707 PRO . 18599 1 88 708 PRO . 18599 1 89 709 TYR . 18599 1 90 710 TYR . 18599 1 91 711 TYR . 18599 1 92 712 GLY . 18599 1 93 713 ASP . 18599 1 94 714 SER . 18599 1 95 715 VAL . 18599 1 96 716 GLU . 18599 1 97 717 PHE . 18599 1 98 718 ASN . 18599 1 99 719 CYS . 18599 1 100 720 SER . 18599 1 101 721 GLU . 18599 1 102 722 SER . 18599 1 103 723 PHE . 18599 1 104 724 THR . 18599 1 105 725 MET . 18599 1 106 726 ILE . 18599 1 107 727 GLY . 18599 1 108 728 HIS . 18599 1 109 729 ARG . 18599 1 110 730 SER . 18599 1 111 731 ILE . 18599 1 112 732 THR . 18599 1 113 733 CYS . 18599 1 114 734 ILE . 18599 1 115 735 HIS . 18599 1 116 736 GLY . 18599 1 117 737 VAL . 18599 1 118 738 TRP . 18599 1 119 739 THR . 18599 1 120 740 GLN . 18599 1 121 741 LEU . 18599 1 122 742 PRO . 18599 1 123 743 GLN . 18599 1 124 744 CYS . 18599 1 125 745 VAL . 18599 1 126 746 ALA . 18599 1 127 747 ILE . 18599 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 . GLU 1 1 18599 1 . ALA 2 2 18599 1 . GLU 3 3 18599 1 . ALA 4 4 18599 1 . ALA 5 5 18599 1 . GLY 6 6 18599 1 . VAL 7 7 18599 1 . GLN 8 8 18599 1 . SER 9 9 18599 1 . CYS 10 10 18599 1 . GLY 11 11 18599 1 . PRO 12 12 18599 1 . PRO 13 13 18599 1 . PRO 14 14 18599 1 . GLU 15 15 18599 1 . LEU 16 16 18599 1 . LEU 17 17 18599 1 . ASN 18 18 18599 1 . GLY 19 19 18599 1 . ASN 20 20 18599 1 . VAL 21 21 18599 1 . LYS 22 22 18599 1 . GLU 23 23 18599 1 . LYS 24 24 18599 1 . THR 25 25 18599 1 . LYS 26 26 18599 1 . GLU 27 27 18599 1 . GLU 28 28 18599 1 . TYR 29 29 18599 1 . GLY 30 30 18599 1 . HIS 31 31 18599 1 . SER 32 32 18599 1 . GLU 33 33 18599 1 . VAL 34 34 18599 1 . VAL 35 35 18599 1 . GLU 36 36 18599 1 . TYR 37 37 18599 1 . TYR 38 38 18599 1 . CYS 39 39 18599 1 . ASN 40 40 18599 1 . PRO 41 41 18599 1 . ARG 42 42 18599 1 . PHE 43 43 18599 1 . LEU 44 44 18599 1 . MET 45 45 18599 1 . LYS 46 46 18599 1 . GLY 47 47 18599 1 . PRO 48 48 18599 1 . ASN 49 49 18599 1 . LYS 50 50 18599 1 . ILE 51 51 18599 1 . GLN 52 52 18599 1 . CYS 53 53 18599 1 . VAL 54 54 18599 1 . ASP 55 55 18599 1 . GLY 56 56 18599 1 . GLU 57 57 18599 1 . TRP 58 58 18599 1 . THR 59 59 18599 1 . THR 60 60 18599 1 . LEU 61 61 18599 1 . PRO 62 62 18599 1 . VAL 63 63 18599 1 . CYS 64 64 18599 1 . ILE 65 65 18599 1 . VAL 66 66 18599 1 . GLU 67 67 18599 1 . GLU 68 68 18599 1 . SER 69 69 18599 1 . THR 70 70 18599 1 . CYS 71 71 18599 1 . GLY 72 72 18599 1 . ASP 73 73 18599 1 . ILE 74 74 18599 1 . PRO 75 75 18599 1 . GLU 76 76 18599 1 . LEU 77 77 18599 1 . GLU 78 78 18599 1 . HIS 79 79 18599 1 . GLY 80 80 18599 1 . TRP 81 81 18599 1 . ALA 82 82 18599 1 . GLN 83 83 18599 1 . LEU 84 84 18599 1 . SER 85 85 18599 1 . SER 86 86 18599 1 . PRO 87 87 18599 1 . PRO 88 88 18599 1 . TYR 89 89 18599 1 . TYR 90 90 18599 1 . TYR 91 91 18599 1 . GLY 92 92 18599 1 . ASP 93 93 18599 1 . SER 94 94 18599 1 . VAL 95 95 18599 1 . GLU 96 96 18599 1 . PHE 97 97 18599 1 . ASN 98 98 18599 1 . CYS 99 99 18599 1 . SER 100 100 18599 1 . GLU 101 101 18599 1 . SER 102 102 18599 1 . PHE 103 103 18599 1 . THR 104 104 18599 1 . MET 105 105 18599 1 . ILE 106 106 18599 1 . GLY 107 107 18599 1 . HIS 108 108 18599 1 . ARG 109 109 18599 1 . SER 110 110 18599 1 . ILE 111 111 18599 1 . THR 112 112 18599 1 . CYS 113 113 18599 1 . ILE 114 114 18599 1 . HIS 115 115 18599 1 . GLY 116 116 18599 1 . VAL 117 117 18599 1 . TRP 118 118 18599 1 . THR 119 119 18599 1 . GLN 120 120 18599 1 . LEU 121 121 18599 1 . PRO 122 122 18599 1 . GLN 123 123 18599 1 . CYS 124 124 18599 1 . VAL 125 125 18599 1 . ALA 126 126 18599 1 . ILE 127 127 18599 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18599 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FH11-12 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CFH . . . . 18599 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 18599 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FH11-12 . 'recombinant technology' 'KOMAGATAELLA PASTORIS' 'KOMAGATAELLA PASTORIS' . . KOMAGATAELLA PASTORIS KM71H . . . . . . . . . . . . . . . pPICZaB . . . . . . 18599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15NFH11-12 _Sample.Sf_category sample _Sample.Sf_framecode 13C15NFH11-12 _Sample.Entry_ID 18599 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FH11-12 '[U-13C; U-15N]' . . 1 $FH11-12 . . 0.65 . . mM . . . . 18599 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18599 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18599 1 stop_ save_ save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 18599 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FH11-12 0.000650 M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FH11-12 '[U-13C; U-15N]' . . 1 $FH11-12 . . 0.650 . . mM . . . . 18599 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18599 2 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18599 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18599 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.020 . M 18599 1 pH 6.300 . pH 18599 1 pressure 1.000 . atm 18599 1 temperature 298.000 . K 18599 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 18599 _Software.ID 1 _Software.Name AZARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'W. Boucher' . . 18599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 18599 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18599 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18599 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18599 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18599 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN . . 18599 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Refinement 18599 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18599 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Guntert, C. Mumenthaler and K. Wuthrich' . . 18599 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 18599 4 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18599 _Software.ID 5 _Software.Name ANALYSIS _Software.Version 2.0 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18599 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Chemical shift assignment' 18599 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18599 _Software.ID 6 _Software.Name Molmol _Software.Version '2K. 2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R. Koradi, M. Billeter and W. Wuthrich' . . 18599 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 18599 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18599 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version 3.4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R.A. Laskowski, M.W. MacArthur, D.S. Moss and J.M. Thornton' . . 18599 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 18599 7 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18599 _Software.ID 8 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18599 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Collection 18599 8 stop_ save_ save_Simulated_annealing_1 _Method.Sf_category method _Method.Sf_framecode Simulated_annealing_1 _Method.Entry_ID 18599 _Method.ID 1 _Method.Derivation_type . _Method.Details 'Simulated annealing' _Method.Computer_ID . _Method.Computer_label . save_ save_Simulated_annealing_1_2 _Method.Sf_category method _Method.Sf_framecode Simulated_annealing_1_2 _Method.Entry_ID 18599 _Method.ID 2 _Method.Derivation_type . _Method.Details 'Simulated annealing' _Method.Computer_ID . _Method.Computer_label . 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 18599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number GH002101 _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18599 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number GH001111 _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18599 _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 GH002101 600 . . . 18599 1 2 spectrometer_2 Bruker Avance GH001111 800 . . . 18599 1 stop_ save_ save_TXI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TXI _NMR_spectrometer_probe.Entry_ID 18599 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer BRUKER _NMR_spectrometer_probe.Model TXI _NMR_spectrometer_probe.Serial_number Z44866/0063 _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18599 1 stop_ save_ save_TCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TCI _NMR_spectrometer_probe.Entry_ID 18599 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer BRUKER _NMR_spectrometer_probe.Model TCI _NMR_spectrometer_probe.Serial_number Z44909/0041 _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18599 2 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18599 _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/HMQC' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 3 'CbCaNH (h{CA|Cca}NH)' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 5 'HbHaNH (H{ca|cca}NH)' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 6 'hsqcCH_CT (ct.H[C[{c(2n)|c(2n+1)}]])' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18599 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 9 'c_cconh (hC_cacoNH.relayed)' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18599 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18599 1 12 'hsqcCH_arom (H[C[caro]])' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18599 1 13 'hbcbcgcdhd (hbCBcgcdHD)' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18599 1 14 'hbcbcgcdcehe (hbCBcgcdHD)' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18599 1 15 '3D HNCO' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 16 'HNCACO_CORRECT (H[N[ca[CO]]])' no . . . . . . . . . . 1 $13C15NFH11-12 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18599 1 17 CBCACONH no . . . . . . . . . . 2 $sample_new_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18599 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 18599 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18599 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18599 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18599 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18599 _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/HMQC' 1 $13C15NFH11-12 isotropic 18599 1 2 '3D CBCA(CO)NH' 1 $13C15NFH11-12 isotropic 18599 1 3 'CbCaNH (h{CA|Cca}NH)' 1 $13C15NFH11-12 isotropic 18599 1 4 '3D HBHA(CO)NH' 1 $13C15NFH11-12 isotropic 18599 1 5 'HbHaNH (H{ca|cca}NH)' 1 $13C15NFH11-12 isotropic 18599 1 6 'hsqcCH_CT (ct.H[C[{c(2n)|c(2n+1)}]])' 1 $13C15NFH11-12 isotropic 18599 1 7 '3D HCCH-TOCSY' 1 $13C15NFH11-12 isotropic 18599 1 8 '3D H(CCO)NH' 1 $13C15NFH11-12 isotropic 18599 1 9 'c_cconh (hC_cacoNH.relayed)' 1 $13C15NFH11-12 isotropic 18599 1 10 '3D 1H-15N NOESY' 1 $13C15NFH11-12 isotropic 18599 1 11 '3D 1H-13C NOESY' 1 $13C15NFH11-12 isotropic 18599 1 12 'hsqcCH_arom (H[C[caro]])' 1 $13C15NFH11-12 isotropic 18599 1 13 'hbcbcgcdhd (hbCBcgcdHD)' 1 $13C15NFH11-12 isotropic 18599 1 14 'hbcbcgcdcehe (hbCBcgcdHD)' 1 $13C15NFH11-12 isotropic 18599 1 15 '3D HNCO' 1 $13C15NFH11-12 isotropic 18599 1 16 'HNCACO_CORRECT (H[N[ca[CO]]])' 1 $13C15NFH11-12 isotropic 18599 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 177.357 . . 1 . . . . 622 ALA C . 18599 1 2 . 1 1 3 3 GLU H H 1 8.548 0.001 . 1 . . . . 623 GLU H . 18599 1 3 . 1 1 3 3 GLU HA H 1 4.203 0.008 . 1 . . . . 623 GLU HA . 18599 1 4 . 1 1 3 3 GLU HB2 H 1 1.956 0.003 . 2 . . . . 623 GLU HB2 . 18599 1 5 . 1 1 3 3 GLU HB3 H 1 1.957 0.003 . 2 . . . . 623 GLU HB3 . 18599 1 6 . 1 1 3 3 GLU HG2 H 1 2.293 0.0 . 2 . . . . 623 GLU HG2 . 18599 1 7 . 1 1 3 3 GLU HG3 H 1 2.293 0.0 . 2 . . . . 623 GLU HG3 . 18599 1 8 . 1 1 3 3 GLU C C 13 176.241 . . 1 . . . . 623 GLU C . 18599 1 9 . 1 1 3 3 GLU CA C 13 56.839 0.013 . 1 . . . . 623 GLU CA . 18599 1 10 . 1 1 3 3 GLU CB C 13 30.179 0.059 . 1 . . . . 623 GLU CB . 18599 1 11 . 1 1 3 3 GLU CG C 13 36.259 0.005 . 1 . . . . 623 GLU CG . 18599 1 12 . 1 1 3 3 GLU N N 15 120.958 0.015 . 1 . . . . 623 GLU N . 18599 1 13 . 1 1 4 4 ALA H H 1 8.333 0.001 . 1 . . . . 624 ALA H . 18599 1 14 . 1 1 4 4 ALA HA H 1 4.261 0.005 . 1 . . . . 624 ALA HA . 18599 1 15 . 1 1 4 4 ALA HB1 H 1 1.333 0.002 . 1 . . . . 624 ALA HB1 . 18599 1 16 . 1 1 4 4 ALA HB2 H 1 1.333 0.002 . 1 . . . . 624 ALA HB2 . 18599 1 17 . 1 1 4 4 ALA HB3 H 1 1.333 0.002 . 1 . . . . 624 ALA HB3 . 18599 1 18 . 1 1 4 4 ALA C C 13 177.104 . . 1 . . . . 624 ALA C . 18599 1 19 . 1 1 4 4 ALA CA C 13 52.276 0.016 . 1 . . . . 624 ALA CA . 18599 1 20 . 1 1 4 4 ALA CB C 13 19.294 0.002 . 1 . . . . 624 ALA CB . 18599 1 21 . 1 1 4 4 ALA N N 15 125.359 0.008 . 1 . . . . 624 ALA N . 18599 1 22 . 1 1 5 5 ALA H H 1 8.240 0.002 . 1 . . . . 625 ALA H . 18599 1 23 . 1 1 5 5 ALA HA H 1 4.274 0.004 . 1 . . . . 625 ALA HA . 18599 1 24 . 1 1 5 5 ALA HB1 H 1 1.360 0.001 . 1 . . . . 625 ALA HB1 . 18599 1 25 . 1 1 5 5 ALA HB2 H 1 1.360 0.001 . 1 . . . . 625 ALA HB2 . 18599 1 26 . 1 1 5 5 ALA HB3 H 1 1.360 0.001 . 1 . . . . 625 ALA HB3 . 18599 1 27 . 1 1 5 5 ALA C C 13 178.034 . . 1 . . . . 625 ALA C . 18599 1 28 . 1 1 5 5 ALA CA C 13 52.565 0.042 . 1 . . . . 625 ALA CA . 18599 1 29 . 1 1 5 5 ALA CB C 13 19.289 0.064 . 1 . . . . 625 ALA CB . 18599 1 30 . 1 1 5 5 ALA N N 15 123.716 0.044 . 1 . . . . 625 ALA N . 18599 1 31 . 1 1 6 6 GLY H H 1 8.292 0.003 . 1 . . . . 626 GLY H . 18599 1 32 . 1 1 6 6 GLY HA2 H 1 3.997 0.003 . 2 . . . . 626 GLY HA2 . 18599 1 33 . 1 1 6 6 GLY HA3 H 1 3.828 0.006 . 2 . . . . 626 GLY HA3 . 18599 1 34 . 1 1 6 6 GLY C C 13 173.810 . . 1 . . . . 626 GLY C . 18599 1 35 . 1 1 6 6 GLY CA C 13 45.228 0.063 . 1 . . . . 626 GLY CA . 18599 1 36 . 1 1 6 6 GLY N N 15 109.244 0.016 . 1 . . . . 626 GLY N . 18599 1 37 . 1 1 7 7 VAL H H 1 7.762 0.004 . 1 . . . . 627 VAL H . 18599 1 38 . 1 1 7 7 VAL HA H 1 4.053 0.005 . 1 . . . . 627 VAL HA . 18599 1 39 . 1 1 7 7 VAL HB H 1 1.910 0.003 . 1 . . . . 627 VAL HB . 18599 1 40 . 1 1 7 7 VAL HG11 H 1 0.675 0.003 . 2 . . . . 627 VAL HG11 . 18599 1 41 . 1 1 7 7 VAL HG12 H 1 0.675 0.003 . 2 . . . . 627 VAL HG12 . 18599 1 42 . 1 1 7 7 VAL HG13 H 1 0.675 0.003 . 2 . . . . 627 VAL HG13 . 18599 1 43 . 1 1 7 7 VAL HG21 H 1 0.565 0.004 . 2 . . . . 627 VAL HG21 . 18599 1 44 . 1 1 7 7 VAL HG22 H 1 0.565 0.004 . 2 . . . . 627 VAL HG22 . 18599 1 45 . 1 1 7 7 VAL HG23 H 1 0.565 0.004 . 2 . . . . 627 VAL HG23 . 18599 1 46 . 1 1 7 7 VAL C C 13 176.301 . . 1 . . . . 627 VAL C . 18599 1 47 . 1 1 7 7 VAL CA C 13 60.445 0.082 . 1 . . . . 627 VAL CA . 18599 1 48 . 1 1 7 7 VAL CB C 13 32.688 0.111 . 1 . . . . 627 VAL CB . 18599 1 49 . 1 1 7 7 VAL CG1 C 13 19.219 0.057 . 2 . . . . 627 VAL CG1 . 18599 1 50 . 1 1 7 7 VAL CG2 C 13 21.421 0.057 . 2 . . . . 627 VAL CG2 . 18599 1 51 . 1 1 7 7 VAL N N 15 115.443 0.014 . 1 . . . . 627 VAL N . 18599 1 52 . 1 1 8 8 GLN H H 1 8.816 0.002 . 1 . . . . 628 GLN H . 18599 1 53 . 1 1 8 8 GLN HA H 1 4.203 0.002 . 1 . . . . 628 GLN HA . 18599 1 54 . 1 1 8 8 GLN HB2 H 1 1.986 0.003 . 2 . . . . 628 GLN HB2 . 18599 1 55 . 1 1 8 8 GLN HB3 H 1 1.728 0.004 . 2 . . . . 628 GLN HB3 . 18599 1 56 . 1 1 8 8 GLN HG2 H 1 2.454 0.003 . 2 . . . . 628 GLN HG2 . 18599 1 57 . 1 1 8 8 GLN HG3 H 1 2.305 0.003 . 2 . . . . 628 GLN HG3 . 18599 1 58 . 1 1 8 8 GLN HE21 H 1 6.758 0.004 . 1 . . . . 628 GLN HE21 . 18599 1 59 . 1 1 8 8 GLN HE22 H 1 7.452 0.003 . 1 . . . . 628 GLN HE22 . 18599 1 60 . 1 1 8 8 GLN C C 13 175.105 . . 1 . . . . 628 GLN C . 18599 1 61 . 1 1 8 8 GLN CA C 13 56.632 0.038 . 1 . . . . 628 GLN CA . 18599 1 62 . 1 1 8 8 GLN CB C 13 30.200 0.091 . 1 . . . . 628 GLN CB . 18599 1 63 . 1 1 8 8 GLN CG C 13 34.555 0.042 . 1 . . . . 628 GLN CG . 18599 1 64 . 1 1 8 8 GLN CD C 13 180.826 0.011 . 1 . . . . 628 GLN CD . 18599 1 65 . 1 1 8 8 GLN N N 15 124.212 0.032 . 1 . . . . 628 GLN N . 18599 1 66 . 1 1 8 8 GLN NE2 N 15 112.503 0.059 . 1 . . . . 628 GLN NE2 . 18599 1 67 . 1 1 9 9 SER H H 1 7.995 0.005 . 1 . . . . 629 SER H . 18599 1 68 . 1 1 9 9 SER HA H 1 4.694 0.008 . 1 . . . . 629 SER HA . 18599 1 69 . 1 1 9 9 SER HB2 H 1 3.940 0.004 . 2 . . . . 629 SER HB2 . 18599 1 70 . 1 1 9 9 SER HB3 H 1 3.863 0.006 . 2 . . . . 629 SER HB3 . 18599 1 71 . 1 1 9 9 SER C C 13 173.800 . . 1 . . . . 629 SER C . 18599 1 72 . 1 1 9 9 SER CA C 13 57.944 0.046 . 1 . . . . 629 SER CA . 18599 1 73 . 1 1 9 9 SER CB C 13 64.712 0.051 . 1 . . . . 629 SER CB . 18599 1 74 . 1 1 9 9 SER N N 15 115.659 0.024 . 1 . . . . 629 SER N . 18599 1 75 . 1 1 10 10 CYS H H 1 9.240 0.005 . 1 . . . . 630 CYS H . 18599 1 76 . 1 1 10 10 CYS HA H 1 4.577 0.007 . 1 . . . . 630 CYS HA . 18599 1 77 . 1 1 10 10 CYS HB2 H 1 2.732 0.006 . 2 . . . . 630 CYS HB2 . 18599 1 78 . 1 1 10 10 CYS HB3 H 1 2.069 0.009 . 2 . . . . 630 CYS HB3 . 18599 1 79 . 1 1 10 10 CYS C C 13 175.382 . . 1 . . . . 630 CYS C . 18599 1 80 . 1 1 10 10 CYS CA C 13 57.820 0.033 . 1 . . . . 630 CYS CA . 18599 1 81 . 1 1 10 10 CYS CB C 13 44.520 0.051 . 1 . . . . 630 CYS CB . 18599 1 82 . 1 1 10 10 CYS N N 15 117.555 0.034 . 1 . . . . 630 CYS N . 18599 1 83 . 1 1 11 11 GLY H H 1 8.199 0.004 . 1 . . . . 631 GLY H . 18599 1 84 . 1 1 11 11 GLY HA2 H 1 4.619 0.005 . 2 . . . . 631 GLY HA2 . 18599 1 85 . 1 1 11 11 GLY HA3 H 1 4.007 0.006 . 2 . . . . 631 GLY HA3 . 18599 1 86 . 1 1 11 11 GLY C C 13 170.134 . . 1 . . . . 631 GLY C . 18599 1 87 . 1 1 11 11 GLY CA C 13 44.470 0.063 . 1 . . . . 631 GLY CA . 18599 1 88 . 1 1 11 11 GLY N N 15 108.699 0.024 . 1 . . . . 631 GLY N . 18599 1 89 . 1 1 12 12 PRO HB2 H 1 2.521 0.002 . 2 . . . . 632 PRO HB2 . 18599 1 90 . 1 1 12 12 PRO HB3 H 1 1.843 0.003 . 2 . . . . 632 PRO HB3 . 18599 1 91 . 1 1 12 12 PRO HG2 H 1 2.225 0.002 . 2 . . . . 632 PRO HG2 . 18599 1 92 . 1 1 12 12 PRO HG3 H 1 2.176 0.002 . 2 . . . . 632 PRO HG3 . 18599 1 93 . 1 1 12 12 PRO HD2 H 1 3.885 0.003 . 2 . . . . 632 PRO HD2 . 18599 1 94 . 1 1 12 12 PRO HD3 H 1 3.639 0.003 . 2 . . . . 632 PRO HD3 . 18599 1 95 . 1 1 12 12 PRO CB C 13 30.756 0.049 . 1 . . . . 632 PRO CB . 18599 1 96 . 1 1 12 12 PRO CG C 13 28.171 0.03 . 1 . . . . 632 PRO CG . 18599 1 97 . 1 1 12 12 PRO CD C 13 49.371 0.054 . 1 . . . . 632 PRO CD . 18599 1 98 . 1 1 13 13 PRO HA H 1 3.468 0.003 . 1 . . . . 633 PRO HA . 18599 1 99 . 1 1 13 13 PRO HB2 H 1 0.458 0.01 . 2 . . . . 633 PRO HB2 . 18599 1 100 . 1 1 13 13 PRO HB3 H 1 1.647 0.007 . 2 . . . . 633 PRO HB3 . 18599 1 101 . 1 1 13 13 PRO HG2 H 1 1.326 0.005 . 2 . . . . 633 PRO HG2 . 18599 1 102 . 1 1 13 13 PRO HG3 H 1 1.628 0.015 . 2 . . . . 633 PRO HG3 . 18599 1 103 . 1 1 13 13 PRO CA C 13 60.597 0.066 . 1 . . . . 633 PRO CA . 18599 1 104 . 1 1 13 13 PRO CB C 13 29.971 0.034 . 1 . . . . 633 PRO CB . 18599 1 105 . 1 1 13 13 PRO CG C 13 27.041 0.071 . 1 . . . . 633 PRO CG . 18599 1 106 . 1 1 14 14 PRO HA H 1 4.312 0.004 . 1 . . . . 634 PRO HA . 18599 1 107 . 1 1 14 14 PRO HB2 H 1 2.215 0.002 . 2 . . . . 634 PRO HB2 . 18599 1 108 . 1 1 14 14 PRO HB3 H 1 1.733 0.012 . 2 . . . . 634 PRO HB3 . 18599 1 109 . 1 1 14 14 PRO HG2 H 1 1.861 0.003 . 2 . . . . 634 PRO HG2 . 18599 1 110 . 1 1 14 14 PRO HG3 H 1 1.738 0.005 . 2 . . . . 634 PRO HG3 . 18599 1 111 . 1 1 14 14 PRO HD2 H 1 2.895 0.004 . 2 . . . . 634 PRO HD2 . 18599 1 112 . 1 1 14 14 PRO HD3 H 1 2.764 0.002 . 2 . . . . 634 PRO HD3 . 18599 1 113 . 1 1 14 14 PRO C C 13 176.702 . . 1 . . . . 634 PRO C . 18599 1 114 . 1 1 14 14 PRO CA C 13 61.857 0.037 . 1 . . . . 634 PRO CA . 18599 1 115 . 1 1 14 14 PRO CB C 13 32.581 0.042 . 1 . . . . 634 PRO CB . 18599 1 116 . 1 1 14 14 PRO CG C 13 27.143 0.036 . 1 . . . . 634 PRO CG . 18599 1 117 . 1 1 14 14 PRO CD C 13 49.891 0.04 . 1 . . . . 634 PRO CD . 18599 1 118 . 1 1 15 15 GLU H H 1 8.284 0.003 . 1 . . . . 635 GLU H . 18599 1 119 . 1 1 15 15 GLU HA H 1 4.094 0.004 . 1 . . . . 635 GLU HA . 18599 1 120 . 1 1 15 15 GLU HB2 H 1 1.874 0.006 . 2 . . . . 635 GLU HB2 . 18599 1 121 . 1 1 15 15 GLU HB3 H 1 1.792 0.0 . 2 . . . . 635 GLU HB3 . 18599 1 122 . 1 1 15 15 GLU HG2 H 1 2.227 0.0 . 2 . . . . 635 GLU HG2 . 18599 1 123 . 1 1 15 15 GLU HG3 H 1 2.061 0.0 . 2 . . . . 635 GLU HG3 . 18599 1 124 . 1 1 15 15 GLU C C 13 174.757 . . 1 . . . . 635 GLU C . 18599 1 125 . 1 1 15 15 GLU CA C 13 56.517 0.06 . 1 . . . . 635 GLU CA . 18599 1 126 . 1 1 15 15 GLU CB C 13 30.303 0.011 . 1 . . . . 635 GLU CB . 18599 1 127 . 1 1 15 15 GLU CG C 13 36.364 0.005 . 1 . . . . 635 GLU CG . 18599 1 128 . 1 1 15 15 GLU N N 15 120.625 0.011 . 1 . . . . 635 GLU N . 18599 1 129 . 1 1 16 16 LEU H H 1 8.764 0.002 . 1 . . . . 636 LEU H . 18599 1 130 . 1 1 16 16 LEU HA H 1 4.240 0.002 . 1 . . . . 636 LEU HA . 18599 1 131 . 1 1 16 16 LEU HB2 H 1 1.386 0.008 . 2 . . . . 636 LEU HB2 . 18599 1 132 . 1 1 16 16 LEU HB3 H 1 0.739 0.005 . 2 . . . . 636 LEU HB3 . 18599 1 133 . 1 1 16 16 LEU HG H 1 0.936 0.005 . 1 . . . . 636 LEU HG . 18599 1 134 . 1 1 16 16 LEU HD11 H 1 0.476 0.003 . 2 . . . . 636 LEU HD11 . 18599 1 135 . 1 1 16 16 LEU HD12 H 1 0.476 0.003 . 2 . . . . 636 LEU HD12 . 18599 1 136 . 1 1 16 16 LEU HD13 H 1 0.476 0.003 . 2 . . . . 636 LEU HD13 . 18599 1 137 . 1 1 16 16 LEU HD21 H 1 0.384 0.003 . 2 . . . . 636 LEU HD21 . 18599 1 138 . 1 1 16 16 LEU HD22 H 1 0.384 0.003 . 2 . . . . 636 LEU HD22 . 18599 1 139 . 1 1 16 16 LEU HD23 H 1 0.384 0.003 . 2 . . . . 636 LEU HD23 . 18599 1 140 . 1 1 16 16 LEU C C 13 175.567 . . 1 . . . . 636 LEU C . 18599 1 141 . 1 1 16 16 LEU CA C 13 52.433 0.043 . 1 . . . . 636 LEU CA . 18599 1 142 . 1 1 16 16 LEU CB C 13 44.383 0.063 . 1 . . . . 636 LEU CB . 18599 1 143 . 1 1 16 16 LEU CG C 13 26.662 0.068 . 1 . . . . 636 LEU CG . 18599 1 144 . 1 1 16 16 LEU CD1 C 13 24.574 0.087 . 2 . . . . 636 LEU CD1 . 18599 1 145 . 1 1 16 16 LEU CD2 C 13 28.135 0.061 . 2 . . . . 636 LEU CD2 . 18599 1 146 . 1 1 16 16 LEU N N 15 127.011 0.009 . 1 . . . . 636 LEU N . 18599 1 147 . 1 1 17 17 LEU H H 1 8.479 0.006 . 1 . . . . 637 LEU H . 18599 1 148 . 1 1 17 17 LEU HA H 1 3.921 0.003 . 1 . . . . 637 LEU HA . 18599 1 149 . 1 1 17 17 LEU HB2 H 1 1.424 0.005 . 2 . . . . 637 LEU HB2 . 18599 1 150 . 1 1 17 17 LEU HB3 H 1 1.425 0.005 . 2 . . . . 637 LEU HB3 . 18599 1 151 . 1 1 17 17 LEU HG H 1 1.495 0.003 . 1 . . . . 637 LEU HG . 18599 1 152 . 1 1 17 17 LEU HD11 H 1 0.825 0.004 . 2 . . . . 637 LEU HD11 . 18599 1 153 . 1 1 17 17 LEU HD12 H 1 0.825 0.004 . 2 . . . . 637 LEU HD12 . 18599 1 154 . 1 1 17 17 LEU HD13 H 1 0.825 0.004 . 2 . . . . 637 LEU HD13 . 18599 1 155 . 1 1 17 17 LEU HD21 H 1 0.809 0.006 . 2 . . . . 637 LEU HD21 . 18599 1 156 . 1 1 17 17 LEU HD22 H 1 0.809 0.006 . 2 . . . . 637 LEU HD22 . 18599 1 157 . 1 1 17 17 LEU HD23 H 1 0.809 0.006 . 2 . . . . 637 LEU HD23 . 18599 1 158 . 1 1 17 17 LEU C C 13 177.869 . . 1 . . . . 637 LEU C . 18599 1 159 . 1 1 17 17 LEU CA C 13 56.512 0.041 . 1 . . . . 637 LEU CA . 18599 1 160 . 1 1 17 17 LEU CB C 13 40.992 0.03 . 1 . . . . 637 LEU CB . 18599 1 161 . 1 1 17 17 LEU CG C 13 26.629 0.057 . 1 . . . . 637 LEU CG . 18599 1 162 . 1 1 17 17 LEU CD1 C 13 23.624 0.081 . 2 . . . . 637 LEU CD1 . 18599 1 163 . 1 1 17 17 LEU CD2 C 13 24.857 0.062 . 2 . . . . 637 LEU CD2 . 18599 1 164 . 1 1 17 17 LEU N N 15 131.060 0.022 . 1 . . . . 637 LEU N . 18599 1 165 . 1 1 18 18 ASN H H 1 8.989 0.005 . 1 . . . . 638 ASN H . 18599 1 166 . 1 1 18 18 ASN HA H 1 3.672 0.001 . 1 . . . . 638 ASN HA . 18599 1 167 . 1 1 18 18 ASN HB2 H 1 2.161 0.005 . 2 . . . . 638 ASN HB2 . 18599 1 168 . 1 1 18 18 ASN HB3 H 1 1.017 0.005 . 2 . . . . 638 ASN HB3 . 18599 1 169 . 1 1 18 18 ASN HD21 H 1 6.840 0.003 . 1 . . . . 638 ASN HD21 . 18599 1 170 . 1 1 18 18 ASN HD22 H 1 7.466 0.005 . 1 . . . . 638 ASN HD22 . 18599 1 171 . 1 1 18 18 ASN C C 13 172.238 . . 1 . . . . 638 ASN C . 18599 1 172 . 1 1 18 18 ASN CA C 13 55.644 0.025 . 1 . . . . 638 ASN CA . 18599 1 173 . 1 1 18 18 ASN CB C 13 36.051 0.084 . 1 . . . . 638 ASN CB . 18599 1 174 . 1 1 18 18 ASN CG C 13 175.587 0.012 . 1 . . . . 638 ASN CG . 18599 1 175 . 1 1 18 18 ASN N N 15 117.204 0.029 . 1 . . . . 638 ASN N . 18599 1 176 . 1 1 18 18 ASN ND2 N 15 109.141 0.032 . 1 . . . . 638 ASN ND2 . 18599 1 177 . 1 1 19 19 GLY H H 1 7.682 0.005 . 1 . . . . 639 GLY H . 18599 1 178 . 1 1 19 19 GLY HA2 H 1 4.151 0.003 . 2 . . . . 639 GLY HA2 . 18599 1 179 . 1 1 19 19 GLY HA3 H 1 3.734 0.005 . 2 . . . . 639 GLY HA3 . 18599 1 180 . 1 1 19 19 GLY C C 13 171.958 . . 1 . . . . 639 GLY C . 18599 1 181 . 1 1 19 19 GLY CA C 13 45.778 0.046 . 1 . . . . 639 GLY CA . 18599 1 182 . 1 1 19 19 GLY N N 15 104.383 0.01 . 1 . . . . 639 GLY N . 18599 1 183 . 1 1 20 20 ASN H H 1 8.503 0.003 . 1 . . . . 640 ASN H . 18599 1 184 . 1 1 20 20 ASN HA H 1 4.922 0.001 . 1 . . . . 640 ASN HA . 18599 1 185 . 1 1 20 20 ASN HB2 H 1 2.360 0.005 . 2 . . . . 640 ASN HB2 . 18599 1 186 . 1 1 20 20 ASN HB3 H 1 2.059 0.002 . 2 . . . . 640 ASN HB3 . 18599 1 187 . 1 1 20 20 ASN HD21 H 1 6.972 0.003 . 1 . . . . 640 ASN HD21 . 18599 1 188 . 1 1 20 20 ASN HD22 H 1 7.068 0.003 . 1 . . . . 640 ASN HD22 . 18599 1 189 . 1 1 20 20 ASN C C 13 172.930 . . 1 . . . . 640 ASN C . 18599 1 190 . 1 1 20 20 ASN CA C 13 52.040 0.035 . 1 . . . . 640 ASN CA . 18599 1 191 . 1 1 20 20 ASN CB C 13 43.498 0.074 . 1 . . . . 640 ASN CB . 18599 1 192 . 1 1 20 20 ASN CG C 13 178.486 0.01 . 1 . . . . 640 ASN CG . 18599 1 193 . 1 1 20 20 ASN N N 15 116.572 0.016 . 1 . . . . 640 ASN N . 18599 1 194 . 1 1 20 20 ASN ND2 N 15 113.261 0.064 . 1 . . . . 640 ASN ND2 . 18599 1 195 . 1 1 21 21 VAL H H 1 8.174 0.004 . 1 . . . . 641 VAL H . 18599 1 196 . 1 1 21 21 VAL HA H 1 4.007 0.004 . 1 . . . . 641 VAL HA . 18599 1 197 . 1 1 21 21 VAL HB H 1 1.799 0.001 . 1 . . . . 641 VAL HB . 18599 1 198 . 1 1 21 21 VAL HG11 H 1 0.577 0.004 . 2 . . . . 641 VAL HG11 . 18599 1 199 . 1 1 21 21 VAL HG12 H 1 0.577 0.004 . 2 . . . . 641 VAL HG12 . 18599 1 200 . 1 1 21 21 VAL HG13 H 1 0.577 0.004 . 2 . . . . 641 VAL HG13 . 18599 1 201 . 1 1 21 21 VAL HG21 H 1 0.436 0.003 . 2 . . . . 641 VAL HG21 . 18599 1 202 . 1 1 21 21 VAL HG22 H 1 0.436 0.003 . 2 . . . . 641 VAL HG22 . 18599 1 203 . 1 1 21 21 VAL HG23 H 1 0.436 0.003 . 2 . . . . 641 VAL HG23 . 18599 1 204 . 1 1 21 21 VAL C C 13 176.730 . . 1 . . . . 641 VAL C . 18599 1 205 . 1 1 21 21 VAL CA C 13 60.789 0.052 . 1 . . . . 641 VAL CA . 18599 1 206 . 1 1 21 21 VAL CB C 13 32.756 0.013 . 1 . . . . 641 VAL CB . 18599 1 207 . 1 1 21 21 VAL CG1 C 13 20.353 0.038 . 2 . . . . 641 VAL CG1 . 18599 1 208 . 1 1 21 21 VAL CG2 C 13 22.304 0.038 . 2 . . . . 641 VAL CG2 . 18599 1 209 . 1 1 21 21 VAL N N 15 115.836 0.026 . 1 . . . . 641 VAL N . 18599 1 210 . 1 1 22 22 LYS H H 1 8.408 0.006 . 1 . . . . 642 LYS H . 18599 1 211 . 1 1 22 22 LYS HA H 1 4.141 0.002 . 1 . . . . 642 LYS HA . 18599 1 212 . 1 1 22 22 LYS HB2 H 1 1.824 0.007 . 2 . . . . 642 LYS HB2 . 18599 1 213 . 1 1 22 22 LYS HB3 H 1 1.575 0.006 . 2 . . . . 642 LYS HB3 . 18599 1 214 . 1 1 22 22 LYS HG2 H 1 1.350 0.003 . 2 . . . . 642 LYS HG2 . 18599 1 215 . 1 1 22 22 LYS HG3 H 1 1.350 0.003 . 2 . . . . 642 LYS HG3 . 18599 1 216 . 1 1 22 22 LYS HD2 H 1 1.532 0.004 . 2 . . . . 642 LYS HD2 . 18599 1 217 . 1 1 22 22 LYS HD3 H 1 1.532 0.004 . 2 . . . . 642 LYS HD3 . 18599 1 218 . 1 1 22 22 LYS HE2 H 1 2.821 0.004 . 2 . . . . 642 LYS HE2 . 18599 1 219 . 1 1 22 22 LYS HE3 H 1 2.821 0.004 . 2 . . . . 642 LYS HE3 . 18599 1 220 . 1 1 22 22 LYS C C 13 176.433 . . 1 . . . . 642 LYS C . 18599 1 221 . 1 1 22 22 LYS CA C 13 58.651 0.041 . 1 . . . . 642 LYS CA . 18599 1 222 . 1 1 22 22 LYS CB C 13 34.053 0.07 . 1 . . . . 642 LYS CB . 18599 1 223 . 1 1 22 22 LYS CG C 13 25.927 0.055 . 1 . . . . 642 LYS CG . 18599 1 224 . 1 1 22 22 LYS CD C 13 29.490 0.069 . 1 . . . . 642 LYS CD . 18599 1 225 . 1 1 22 22 LYS CE C 13 41.929 0.088 . 1 . . . . 642 LYS CE . 18599 1 226 . 1 1 22 22 LYS N N 15 123.424 0.035 . 1 . . . . 642 LYS N . 18599 1 227 . 1 1 23 23 GLU H H 1 7.780 0.004 . 1 . . . . 643 GLU H . 18599 1 228 . 1 1 23 23 GLU HA H 1 4.473 0.002 . 1 . . . . 643 GLU HA . 18599 1 229 . 1 1 23 23 GLU HB2 H 1 2.107 0.002 . 2 . . . . 643 GLU HB2 . 18599 1 230 . 1 1 23 23 GLU HB3 H 1 1.898 0.001 . 2 . . . . 643 GLU HB3 . 18599 1 231 . 1 1 23 23 GLU HG2 H 1 2.226 0.003 . 1 . . . . 643 GLU HG2 . 18599 1 232 . 1 1 23 23 GLU HG3 H 1 2.226 0.003 . 1 . . . . 643 GLU HG3 . 18599 1 233 . 1 1 23 23 GLU C C 13 175.219 . . 1 . . . . 643 GLU C . 18599 1 234 . 1 1 23 23 GLU CA C 13 54.843 0.044 . 1 . . . . 643 GLU CA . 18599 1 235 . 1 1 23 23 GLU CB C 13 31.876 0.075 . 1 . . . . 643 GLU CB . 18599 1 236 . 1 1 23 23 GLU CG C 13 36.155 0.058 . 1 . . . . 643 GLU CG . 18599 1 237 . 1 1 23 23 GLU N N 15 116.580 0.017 . 1 . . . . 643 GLU N . 18599 1 238 . 1 1 24 24 LYS H H 1 8.360 0.003 . 1 . . . . 644 LYS H . 18599 1 239 . 1 1 24 24 LYS HA H 1 4.245 0.004 . 1 . . . . 644 LYS HA . 18599 1 240 . 1 1 24 24 LYS HB2 H 1 1.767 0.001 . 2 . . . . 644 LYS HB2 . 18599 1 241 . 1 1 24 24 LYS HB3 H 1 1.767 0.001 . 2 . . . . 644 LYS HB3 . 18599 1 242 . 1 1 24 24 LYS HG2 H 1 1.500 0.003 . 2 . . . . 644 LYS HG2 . 18599 1 243 . 1 1 24 24 LYS HG3 H 1 1.500 0.003 . 2 . . . . 644 LYS HG3 . 18599 1 244 . 1 1 24 24 LYS HD2 H 1 1.698 0.003 . 2 . . . . 644 LYS HD2 . 18599 1 245 . 1 1 24 24 LYS HD3 H 1 1.699 0.003 . 2 . . . . 644 LYS HD3 . 18599 1 246 . 1 1 24 24 LYS HE2 H 1 3.017 0.003 . 2 . . . . 644 LYS HE2 . 18599 1 247 . 1 1 24 24 LYS HE3 H 1 3.017 0.003 . 2 . . . . 644 LYS HE3 . 18599 1 248 . 1 1 24 24 LYS C C 13 177.559 . . 1 . . . . 644 LYS C . 18599 1 249 . 1 1 24 24 LYS CA C 13 56.840 0.03 . 1 . . . . 644 LYS CA . 18599 1 250 . 1 1 24 24 LYS CB C 13 32.606 0.069 . 1 . . . . 644 LYS CB . 18599 1 251 . 1 1 24 24 LYS CG C 13 24.743 0.04 . 1 . . . . 644 LYS CG . 18599 1 252 . 1 1 24 24 LYS CD C 13 29.313 0.065 . 1 . . . . 644 LYS CD . 18599 1 253 . 1 1 24 24 LYS CE C 13 42.198 0.035 . 1 . . . . 644 LYS CE . 18599 1 254 . 1 1 24 24 LYS N N 15 121.606 0.018 . 1 . . . . 644 LYS N . 18599 1 255 . 1 1 25 25 THR H H 1 8.316 0.01 . 1 . . . . 645 THR H . 18599 1 256 . 1 1 25 25 THR HA H 1 4.295 0.007 . 1 . . . . 645 THR HA . 18599 1 257 . 1 1 25 25 THR HB H 1 4.412 0.006 . 1 . . . . 645 THR HB . 18599 1 258 . 1 1 25 25 THR HG21 H 1 1.294 0.002 . 1 . . . . 645 THR HG21 . 18599 1 259 . 1 1 25 25 THR HG22 H 1 1.294 0.002 . 1 . . . . 645 THR HG22 . 18599 1 260 . 1 1 25 25 THR HG23 H 1 1.294 0.002 . 1 . . . . 645 THR HG23 . 18599 1 261 . 1 1 25 25 THR C C 13 174.603 . . 1 . . . . 645 THR C . 18599 1 262 . 1 1 25 25 THR CA C 13 61.902 0.048 . 1 . . . . 645 THR CA . 18599 1 263 . 1 1 25 25 THR CB C 13 70.496 0.082 . 1 . . . . 645 THR CB . 18599 1 264 . 1 1 25 25 THR CG2 C 13 22.686 0.103 . 1 . . . . 645 THR CG2 . 18599 1 265 . 1 1 25 25 THR N N 15 116.656 0.032 . 1 . . . . 645 THR N . 18599 1 266 . 1 1 26 26 LYS H H 1 8.008 0.003 . 1 . . . . 646 LYS H . 18599 1 267 . 1 1 26 26 LYS HA H 1 4.608 0.002 . 1 . . . . 646 LYS HA . 18599 1 268 . 1 1 26 26 LYS HB2 H 1 1.694 0.006 . 2 . . . . 646 LYS HB2 . 18599 1 269 . 1 1 26 26 LYS HB3 H 1 1.302 0.007 . 2 . . . . 646 LYS HB3 . 18599 1 270 . 1 1 26 26 LYS HG2 H 1 1.193 0.003 . 2 . . . . 646 LYS HG2 . 18599 1 271 . 1 1 26 26 LYS HG3 H 1 0.982 0.005 . 2 . . . . 646 LYS HG3 . 18599 1 272 . 1 1 26 26 LYS HD2 H 1 1.571 0.008 . 2 . . . . 646 LYS HD2 . 18599 1 273 . 1 1 26 26 LYS HD3 H 1 1.427 0.002 . 2 . . . . 646 LYS HD3 . 18599 1 274 . 1 1 26 26 LYS HE2 H 1 2.592 0.003 . 2 . . . . 646 LYS HE2 . 18599 1 275 . 1 1 26 26 LYS HE3 H 1 2.451 0.004 . 2 . . . . 646 LYS HE3 . 18599 1 276 . 1 1 26 26 LYS C C 13 176.014 . . 1 . . . . 646 LYS C . 18599 1 277 . 1 1 26 26 LYS CA C 13 54.895 0.052 . 1 . . . . 646 LYS CA . 18599 1 278 . 1 1 26 26 LYS CB C 13 34.451 0.089 . 1 . . . . 646 LYS CB . 18599 1 279 . 1 1 26 26 LYS CG C 13 24.700 0.053 . 1 . . . . 646 LYS CG . 18599 1 280 . 1 1 26 26 LYS CD C 13 29.513 0.079 . 1 . . . . 646 LYS CD . 18599 1 281 . 1 1 26 26 LYS CE C 13 41.910 0.054 . 1 . . . . 646 LYS CE . 18599 1 282 . 1 1 26 26 LYS N N 15 120.319 0.019 . 1 . . . . 646 LYS N . 18599 1 283 . 1 1 27 27 GLU H H 1 8.408 0.003 . 1 . . . . 647 GLU H . 18599 1 284 . 1 1 27 27 GLU HA H 1 4.233 0.006 . 1 . . . . 647 GLU HA . 18599 1 285 . 1 1 27 27 GLU HB2 H 1 2.109 0.004 . 2 . . . . 647 GLU HB2 . 18599 1 286 . 1 1 27 27 GLU HB3 H 1 1.939 0.004 . 2 . . . . 647 GLU HB3 . 18599 1 287 . 1 1 27 27 GLU HG2 H 1 2.318 0.005 . 1 . . . . 647 GLU HG2 . 18599 1 288 . 1 1 27 27 GLU HG3 H 1 2.318 0.005 . 1 . . . . 647 GLU HG3 . 18599 1 289 . 1 1 27 27 GLU C C 13 175.802 . . 1 . . . . 647 GLU C . 18599 1 290 . 1 1 27 27 GLU CA C 13 58.082 0.07 . 1 . . . . 647 GLU CA . 18599 1 291 . 1 1 27 27 GLU CB C 13 30.455 0.057 . 1 . . . . 647 GLU CB . 18599 1 292 . 1 1 27 27 GLU CG C 13 36.761 0.032 . 1 . . . . 647 GLU CG . 18599 1 293 . 1 1 27 27 GLU N N 15 116.977 0.023 . 1 . . . . 647 GLU N . 18599 1 294 . 1 1 28 28 GLU H H 1 7.196 0.006 . 1 . . . . 648 GLU H . 18599 1 295 . 1 1 28 28 GLU HA H 1 4.852 0.004 . 1 . . . . 648 GLU HA . 18599 1 296 . 1 1 28 28 GLU HB2 H 1 2.057 0.0 . 2 . . . . 648 GLU HB2 . 18599 1 297 . 1 1 28 28 GLU HB3 H 1 1.856 0.004 . 2 . . . . 648 GLU HB3 . 18599 1 298 . 1 1 28 28 GLU HG2 H 1 2.129 0.002 . 1 . . . . 648 GLU HG2 . 18599 1 299 . 1 1 28 28 GLU HG3 H 1 2.129 0.002 . 1 . . . . 648 GLU HG3 . 18599 1 300 . 1 1 28 28 GLU C C 13 173.924 . . 1 . . . . 648 GLU C . 18599 1 301 . 1 1 28 28 GLU CA C 13 55.256 0.023 . 1 . . . . 648 GLU CA . 18599 1 302 . 1 1 28 28 GLU CB C 13 33.088 0.062 . 1 . . . . 648 GLU CB . 18599 1 303 . 1 1 28 28 GLU CG C 13 36.223 0.048 . 1 . . . . 648 GLU CG . 18599 1 304 . 1 1 28 28 GLU N N 15 115.629 0.016 . 1 . . . . 648 GLU N . 18599 1 305 . 1 1 29 29 TYR H H 1 8.935 0.003 . 1 . . . . 649 TYR H . 18599 1 306 . 1 1 29 29 TYR HA H 1 4.441 0.003 . 1 . . . . 649 TYR HA . 18599 1 307 . 1 1 29 29 TYR HB2 H 1 2.759 0.009 . 2 . . . . 649 TYR HB2 . 18599 1 308 . 1 1 29 29 TYR HB3 H 1 2.638 0.007 . 2 . . . . 649 TYR HB3 . 18599 1 309 . 1 1 29 29 TYR HD1 H 1 7.098 0.003 . 3 . . . . 649 TYR HD1 . 18599 1 310 . 1 1 29 29 TYR HD2 H 1 7.098 0.003 . 3 . . . . 649 TYR HD2 . 18599 1 311 . 1 1 29 29 TYR HE1 H 1 6.877 0.003 . 3 . . . . 649 TYR HE1 . 18599 1 312 . 1 1 29 29 TYR HE2 H 1 6.877 0.003 . 3 . . . . 649 TYR HE2 . 18599 1 313 . 1 1 29 29 TYR C C 13 174.546 . . 1 . . . . 649 TYR C . 18599 1 314 . 1 1 29 29 TYR CA C 13 56.975 0.069 . 1 . . . . 649 TYR CA . 18599 1 315 . 1 1 29 29 TYR CB C 13 42.173 0.067 . 1 . . . . 649 TYR CB . 18599 1 316 . 1 1 29 29 TYR CD1 C 13 132.945 0.07 . 3 . . . . 649 TYR CD1 . 18599 1 317 . 1 1 29 29 TYR CD2 C 13 132.945 0.07 . 3 . . . . 649 TYR CD2 . 18599 1 318 . 1 1 29 29 TYR CE1 C 13 118.755 0.052 . 3 . . . . 649 TYR CE1 . 18599 1 319 . 1 1 29 29 TYR CE2 C 13 118.755 0.052 . 3 . . . . 649 TYR CE2 . 18599 1 320 . 1 1 29 29 TYR N N 15 123.385 0.021 . 1 . . . . 649 TYR N . 18599 1 321 . 1 1 30 30 GLY H H 1 9.163 0.003 . 1 . . . . 650 GLY H . 18599 1 322 . 1 1 30 30 GLY HA2 H 1 4.154 0.003 . 2 . . . . 650 GLY HA2 . 18599 1 323 . 1 1 30 30 GLY HA3 H 1 3.634 0.001 . 2 . . . . 650 GLY HA3 . 18599 1 324 . 1 1 30 30 GLY C C 13 173.630 . . 1 . . . . 650 GLY C . 18599 1 325 . 1 1 30 30 GLY CA C 13 44.364 0.058 . 1 . . . . 650 GLY CA . 18599 1 326 . 1 1 30 30 GLY N N 15 109.532 0.024 . 1 . . . . 650 GLY N . 18599 1 327 . 1 1 31 31 HIS H H 1 8.430 0.004 . 1 . . . . 651 HIS H . 18599 1 328 . 1 1 31 31 HIS HA H 1 4.043 0.002 . 1 . . . . 651 HIS HA . 18599 1 329 . 1 1 31 31 HIS HB2 H 1 3.016 0.004 . 2 . . . . 651 HIS HB2 . 18599 1 330 . 1 1 31 31 HIS HB3 H 1 2.743 0.005 . 2 . . . . 651 HIS HB3 . 18599 1 331 . 1 1 31 31 HIS HD2 H 1 6.980 0.004 . 1 . . . . 651 HIS HD2 . 18599 1 332 . 1 1 31 31 HIS HE1 H 1 7.740 0.005 . 1 . . . . 651 HIS HE1 . 18599 1 333 . 1 1 31 31 HIS C C 13 177.628 . . 1 . . . . 651 HIS C . 18599 1 334 . 1 1 31 31 HIS CA C 13 58.831 0.07 . 1 . . . . 651 HIS CA . 18599 1 335 . 1 1 31 31 HIS CB C 13 31.250 0.111 . 1 . . . . 651 HIS CB . 18599 1 336 . 1 1 31 31 HIS CD2 C 13 118.758 0.071 . 1 . . . . 651 HIS CD2 . 18599 1 337 . 1 1 31 31 HIS CE1 C 13 138.694 0.076 . 1 . . . . 651 HIS CE1 . 18599 1 338 . 1 1 31 31 HIS N N 15 120.653 0.021 . 1 . . . . 651 HIS N . 18599 1 339 . 1 1 32 32 SER H H 1 9.228 0.004 . 1 . . . . 652 SER H . 18599 1 340 . 1 1 32 32 SER HA H 1 3.806 0.005 . 1 . . . . 652 SER HA . 18599 1 341 . 1 1 32 32 SER HB2 H 1 4.061 0.004 . 2 . . . . 652 SER HB2 . 18599 1 342 . 1 1 32 32 SER HB3 H 1 3.661 0.003 . 2 . . . . 652 SER HB3 . 18599 1 343 . 1 1 32 32 SER C C 13 174.429 . . 1 . . . . 652 SER C . 18599 1 344 . 1 1 32 32 SER CA C 13 61.500 0.099 . 1 . . . . 652 SER CA . 18599 1 345 . 1 1 32 32 SER CB C 13 63.473 0.089 . 1 . . . . 652 SER CB . 18599 1 346 . 1 1 32 32 SER N N 15 122.586 0.054 . 1 . . . . 652 SER N . 18599 1 347 . 1 1 33 33 GLU H H 1 8.314 0.005 . 1 . . . . 653 GLU H . 18599 1 348 . 1 1 33 33 GLU HA H 1 4.353 0.003 . 1 . . . . 653 GLU HA . 18599 1 349 . 1 1 33 33 GLU HB2 H 1 2.419 0.004 . 2 . . . . 653 GLU HB2 . 18599 1 350 . 1 1 33 33 GLU HB3 H 1 2.419 0.004 . 2 . . . . 653 GLU HB3 . 18599 1 351 . 1 1 33 33 GLU HG2 H 1 2.494 0.003 . 2 . . . . 653 GLU HG2 . 18599 1 352 . 1 1 33 33 GLU HG3 H 1 2.330 0.005 . 2 . . . . 653 GLU HG3 . 18599 1 353 . 1 1 33 33 GLU C C 13 175.158 . . 1 . . . . 653 GLU C . 18599 1 354 . 1 1 33 33 GLU CA C 13 59.532 0.051 . 1 . . . . 653 GLU CA . 18599 1 355 . 1 1 33 33 GLU CB C 13 31.437 0.112 . 1 . . . . 653 GLU CB . 18599 1 356 . 1 1 33 33 GLU CG C 13 38.943 0.065 . 1 . . . . 653 GLU CG . 18599 1 357 . 1 1 33 33 GLU N N 15 123.841 0.032 . 1 . . . . 653 GLU N . 18599 1 358 . 1 1 34 34 VAL H H 1 8.264 0.004 . 1 . . . . 654 VAL H . 18599 1 359 . 1 1 34 34 VAL HA H 1 5.460 0.002 . 1 . . . . 654 VAL HA . 18599 1 360 . 1 1 34 34 VAL HB H 1 1.954 0.002 . 1 . . . . 654 VAL HB . 18599 1 361 . 1 1 34 34 VAL HG11 H 1 0.971 0.002 . 2 . . . . 654 VAL HG11 . 18599 1 362 . 1 1 34 34 VAL HG12 H 1 0.971 0.002 . 2 . . . . 654 VAL HG12 . 18599 1 363 . 1 1 34 34 VAL HG13 H 1 0.971 0.002 . 2 . . . . 654 VAL HG13 . 18599 1 364 . 1 1 34 34 VAL HG21 H 1 0.931 0.005 . 2 . . . . 654 VAL HG21 . 18599 1 365 . 1 1 34 34 VAL HG22 H 1 0.931 0.005 . 2 . . . . 654 VAL HG22 . 18599 1 366 . 1 1 34 34 VAL HG23 H 1 0.931 0.005 . 2 . . . . 654 VAL HG23 . 18599 1 367 . 1 1 34 34 VAL C C 13 176.125 . . 1 . . . . 654 VAL C . 18599 1 368 . 1 1 34 34 VAL CA C 13 60.156 0.056 . 1 . . . . 654 VAL CA . 18599 1 369 . 1 1 34 34 VAL CB C 13 35.575 0.089 . 1 . . . . 654 VAL CB . 18599 1 370 . 1 1 34 34 VAL N N 15 117.108 0.027 . 1 . . . . 654 VAL N . 18599 1 371 . 1 1 35 35 VAL H H 1 8.659 0.002 . 1 . . . . 655 VAL H . 18599 1 372 . 1 1 35 35 VAL HA H 1 4.173 0.005 . 1 . . . . 655 VAL HA . 18599 1 373 . 1 1 35 35 VAL HB H 1 1.324 0.006 . 1 . . . . 655 VAL HB . 18599 1 374 . 1 1 35 35 VAL HG11 H 1 0.374 0.004 . 2 . . . . 655 VAL HG11 . 18599 1 375 . 1 1 35 35 VAL HG12 H 1 0.374 0.004 . 2 . . . . 655 VAL HG12 . 18599 1 376 . 1 1 35 35 VAL HG13 H 1 0.374 0.004 . 2 . . . . 655 VAL HG13 . 18599 1 377 . 1 1 35 35 VAL HG21 H 1 0.349 0.006 . 2 . . . . 655 VAL HG21 . 18599 1 378 . 1 1 35 35 VAL HG22 H 1 0.349 0.006 . 2 . . . . 655 VAL HG22 . 18599 1 379 . 1 1 35 35 VAL HG23 H 1 0.349 0.006 . 2 . . . . 655 VAL HG23 . 18599 1 380 . 1 1 35 35 VAL C C 13 173.415 . . 1 . . . . 655 VAL C . 18599 1 381 . 1 1 35 35 VAL CA C 13 61.633 0.037 . 1 . . . . 655 VAL CA . 18599 1 382 . 1 1 35 35 VAL CB C 13 35.258 0.079 . 1 . . . . 655 VAL CB . 18599 1 383 . 1 1 35 35 VAL CG1 C 13 22.900 0.038 . 2 . . . . 655 VAL CG1 . 18599 1 384 . 1 1 35 35 VAL CG2 C 13 21.712 0.067 . 2 . . . . 655 VAL CG2 . 18599 1 385 . 1 1 35 35 VAL N N 15 124.415 0.02 . 1 . . . . 655 VAL N . 18599 1 386 . 1 1 36 36 GLU H H 1 8.286 0.003 . 1 . . . . 656 GLU H . 18599 1 387 . 1 1 36 36 GLU HA H 1 5.180 0.003 . 1 . . . . 656 GLU HA . 18599 1 388 . 1 1 36 36 GLU HB2 H 1 1.807 0.01 . 2 . . . . 656 GLU HB2 . 18599 1 389 . 1 1 36 36 GLU HB3 H 1 1.879 0.002 . 2 . . . . 656 GLU HB3 . 18599 1 390 . 1 1 36 36 GLU HG2 H 1 2.294 0.005 . 2 . . . . 656 GLU HG2 . 18599 1 391 . 1 1 36 36 GLU HG3 H 1 2.137 0.004 . 2 . . . . 656 GLU HG3 . 18599 1 392 . 1 1 36 36 GLU C C 13 174.981 . . 1 . . . . 656 GLU C . 18599 1 393 . 1 1 36 36 GLU CA C 13 54.729 0.058 . 1 . . . . 656 GLU CA . 18599 1 394 . 1 1 36 36 GLU CB C 13 32.991 0.048 . 1 . . . . 656 GLU CB . 18599 1 395 . 1 1 36 36 GLU CG C 13 36.942 0.082 . 1 . . . . 656 GLU CG . 18599 1 396 . 1 1 36 36 GLU N N 15 125.669 0.016 . 1 . . . . 656 GLU N . 18599 1 397 . 1 1 37 37 TYR H H 1 8.774 0.002 . 1 . . . . 657 TYR H . 18599 1 398 . 1 1 37 37 TYR HA H 1 5.163 0.005 . 1 . . . . 657 TYR HA . 18599 1 399 . 1 1 37 37 TYR HB2 H 1 2.634 0.004 . 2 . . . . 657 TYR HB2 . 18599 1 400 . 1 1 37 37 TYR HB3 H 1 2.277 0.003 . 2 . . . . 657 TYR HB3 . 18599 1 401 . 1 1 37 37 TYR HD1 H 1 6.571 0.002 . 3 . . . . 657 TYR HD1 . 18599 1 402 . 1 1 37 37 TYR HD2 H 1 6.571 0.002 . 3 . . . . 657 TYR HD2 . 18599 1 403 . 1 1 37 37 TYR HE1 H 1 6.268 0.002 . 3 . . . . 657 TYR HE1 . 18599 1 404 . 1 1 37 37 TYR HE2 H 1 6.268 0.002 . 3 . . . . 657 TYR HE2 . 18599 1 405 . 1 1 37 37 TYR C C 13 175.340 . . 1 . . . . 657 TYR C . 18599 1 406 . 1 1 37 37 TYR CA C 13 57.364 0.097 . 1 . . . . 657 TYR CA . 18599 1 407 . 1 1 37 37 TYR CB C 13 43.916 0.055 . 1 . . . . 657 TYR CB . 18599 1 408 . 1 1 37 37 TYR CD1 C 13 132.325 0.05 . 3 . . . . 657 TYR CD1 . 18599 1 409 . 1 1 37 37 TYR CD2 C 13 132.325 0.05 . 3 . . . . 657 TYR CD2 . 18599 1 410 . 1 1 37 37 TYR CE1 C 13 118.390 0.051 . 3 . . . . 657 TYR CE1 . 18599 1 411 . 1 1 37 37 TYR CE2 C 13 118.390 0.051 . 3 . . . . 657 TYR CE2 . 18599 1 412 . 1 1 37 37 TYR N N 15 123.207 0.023 . 1 . . . . 657 TYR N . 18599 1 413 . 1 1 38 38 TYR H H 1 8.764 0.003 . 1 . . . . 658 TYR H . 18599 1 414 . 1 1 38 38 TYR HA H 1 4.822 0.005 . 1 . . . . 658 TYR HA . 18599 1 415 . 1 1 38 38 TYR HB2 H 1 3.123 0.004 . 2 . . . . 658 TYR HB2 . 18599 1 416 . 1 1 38 38 TYR HB3 H 1 2.898 0.007 . 2 . . . . 658 TYR HB3 . 18599 1 417 . 1 1 38 38 TYR HD1 H 1 6.834 0.004 . 3 . . . . 658 TYR HD1 . 18599 1 418 . 1 1 38 38 TYR HD2 H 1 6.834 0.004 . 3 . . . . 658 TYR HD2 . 18599 1 419 . 1 1 38 38 TYR HE1 H 1 6.661 0.002 . 3 . . . . 658 TYR HE1 . 18599 1 420 . 1 1 38 38 TYR HE2 H 1 6.661 0.002 . 3 . . . . 658 TYR HE2 . 18599 1 421 . 1 1 38 38 TYR C C 13 173.834 . . 1 . . . . 658 TYR C . 18599 1 422 . 1 1 38 38 TYR CA C 13 56.535 0.076 . 1 . . . . 658 TYR CA . 18599 1 423 . 1 1 38 38 TYR CB C 13 41.201 0.049 . 1 . . . . 658 TYR CB . 18599 1 424 . 1 1 38 38 TYR CD1 C 13 133.846 0.043 . 3 . . . . 658 TYR CD1 . 18599 1 425 . 1 1 38 38 TYR CD2 C 13 133.846 0.043 . 3 . . . . 658 TYR CD2 . 18599 1 426 . 1 1 38 38 TYR CE1 C 13 117.659 0.046 . 3 . . . . 658 TYR CE1 . 18599 1 427 . 1 1 38 38 TYR CE2 C 13 117.659 0.046 . 3 . . . . 658 TYR CE2 . 18599 1 428 . 1 1 38 38 TYR N N 15 114.938 0.021 . 1 . . . . 658 TYR N . 18599 1 429 . 1 1 39 39 CYS H H 1 8.972 0.004 . 1 . . . . 659 CYS H . 18599 1 430 . 1 1 39 39 CYS HA H 1 4.988 0.003 . 1 . . . . 659 CYS HA . 18599 1 431 . 1 1 39 39 CYS HB2 H 1 3.046 0.005 . 2 . . . . 659 CYS HB2 . 18599 1 432 . 1 1 39 39 CYS HB3 H 1 2.692 0.011 . 2 . . . . 659 CYS HB3 . 18599 1 433 . 1 1 39 39 CYS C C 13 174.508 . . 1 . . . . 659 CYS C . 18599 1 434 . 1 1 39 39 CYS CA C 13 54.336 0.093 . 1 . . . . 659 CYS CA . 18599 1 435 . 1 1 39 39 CYS CB C 13 41.085 0.052 . 1 . . . . 659 CYS CB . 18599 1 436 . 1 1 39 39 CYS N N 15 116.688 0.019 . 1 . . . . 659 CYS N . 18599 1 437 . 1 1 40 40 ASN H H 1 9.023 0.004 . 1 . . . . 660 ASN H . 18599 1 438 . 1 1 40 40 ASN HA H 1 4.839 0.002 . 1 . . . . 660 ASN HA . 18599 1 439 . 1 1 40 40 ASN HB2 H 1 2.975 0.002 . 2 . . . . 660 ASN HB2 . 18599 1 440 . 1 1 40 40 ASN HB3 H 1 2.451 0.004 . 2 . . . . 660 ASN HB3 . 18599 1 441 . 1 1 40 40 ASN C C 13 171.787 . . 1 . . . . 660 ASN C . 18599 1 442 . 1 1 40 40 ASN CA C 13 52.314 0.01 . 1 . . . . 660 ASN CA . 18599 1 443 . 1 1 40 40 ASN CB C 13 36.031 0.029 . 1 . . . . 660 ASN CB . 18599 1 444 . 1 1 40 40 ASN N N 15 123.447 0.024 . 1 . . . . 660 ASN N . 18599 1 445 . 1 1 41 41 PRO HA H 1 4.592 0.003 . 1 . . . . 661 PRO HA . 18599 1 446 . 1 1 41 41 PRO HB2 H 1 1.826 0.005 . 2 . . . . 661 PRO HB2 . 18599 1 447 . 1 1 41 41 PRO HB3 H 1 2.415 0.005 . 2 . . . . 661 PRO HB3 . 18599 1 448 . 1 1 41 41 PRO HG2 H 1 2.197 0.004 . 2 . . . . 661 PRO HG2 . 18599 1 449 . 1 1 41 41 PRO HG3 H 1 2.059 0.003 . 2 . . . . 661 PRO HG3 . 18599 1 450 . 1 1 41 41 PRO HD2 H 1 3.587 0.003 . 2 . . . . 661 PRO HD2 . 18599 1 451 . 1 1 41 41 PRO HD3 H 1 3.925 0.004 . 2 . . . . 661 PRO HD3 . 18599 1 452 . 1 1 41 41 PRO C C 13 176.737 . . 1 . . . . 661 PRO C . 18599 1 453 . 1 1 41 41 PRO CA C 13 64.635 0.034 . 1 . . . . 661 PRO CA . 18599 1 454 . 1 1 41 41 PRO CB C 13 31.946 0.057 . 1 . . . . 661 PRO CB . 18599 1 455 . 1 1 41 41 PRO CG C 13 28.354 0.021 . 1 . . . . 661 PRO CG . 18599 1 456 . 1 1 41 41 PRO CD C 13 50.346 0.062 . 1 . . . . 661 PRO CD . 18599 1 457 . 1 1 42 42 ARG H H 1 8.862 0.004 . 1 . . . . 662 ARG H . 18599 1 458 . 1 1 42 42 ARG HA H 1 3.779 0.002 . 1 . . . . 662 ARG HA . 18599 1 459 . 1 1 42 42 ARG HB2 H 1 1.997 0.004 . 2 . . . . 662 ARG HB2 . 18599 1 460 . 1 1 42 42 ARG HB3 H 1 1.401 0.009 . 2 . . . . 662 ARG HB3 . 18599 1 461 . 1 1 42 42 ARG HG2 H 1 1.821 0.004 . 2 . . . . 662 ARG HG2 . 18599 1 462 . 1 1 42 42 ARG HG3 H 1 1.461 0.004 . 2 . . . . 662 ARG HG3 . 18599 1 463 . 1 1 42 42 ARG HD2 H 1 2.817 0.004 . 2 . . . . 662 ARG HD2 . 18599 1 464 . 1 1 42 42 ARG HD3 H 1 2.817 0.004 . 2 . . . . 662 ARG HD3 . 18599 1 465 . 1 1 42 42 ARG HE H 1 7.035 0.016 . 1 . . . . 662 ARG HE . 18599 1 466 . 1 1 42 42 ARG C C 13 174.617 . . 1 . . . . 662 ARG C . 18599 1 467 . 1 1 42 42 ARG CA C 13 59.040 0.07 . 1 . . . . 662 ARG CA . 18599 1 468 . 1 1 42 42 ARG CB C 13 28.325 0.106 . 1 . . . . 662 ARG CB . 18599 1 469 . 1 1 42 42 ARG CG C 13 28.484 0.059 . 1 . . . . 662 ARG CG . 18599 1 470 . 1 1 42 42 ARG CD C 13 43.534 0.05 . 1 . . . . 662 ARG CD . 18599 1 471 . 1 1 42 42 ARG N N 15 114.116 0.017 . 1 . . . . 662 ARG N . 18599 1 472 . 1 1 42 42 ARG NE N 15 85.083 0.01 . 1 . . . . 662 ARG NE . 18599 1 473 . 1 1 43 43 PHE H H 1 8.207 0.003 . 1 . . . . 663 PHE H . 18599 1 474 . 1 1 43 43 PHE HA H 1 4.977 0.009 . 1 . . . . 663 PHE HA . 18599 1 475 . 1 1 43 43 PHE HB2 H 1 3.401 0.006 . 2 . . . . 663 PHE HB2 . 18599 1 476 . 1 1 43 43 PHE HB3 H 1 2.533 0.006 . 2 . . . . 663 PHE HB3 . 18599 1 477 . 1 1 43 43 PHE HD1 H 1 6.871 0.004 . 3 . . . . 663 PHE HD1 . 18599 1 478 . 1 1 43 43 PHE HD2 H 1 6.871 0.004 . 3 . . . . 663 PHE HD2 . 18599 1 479 . 1 1 43 43 PHE HE1 H 1 7.175 0.007 . 3 . . . . 663 PHE HE1 . 18599 1 480 . 1 1 43 43 PHE HE2 H 1 7.175 0.007 . 3 . . . . 663 PHE HE2 . 18599 1 481 . 1 1 43 43 PHE C C 13 174.084 . . 1 . . . . 663 PHE C . 18599 1 482 . 1 1 43 43 PHE CA C 13 56.793 0.053 . 1 . . . . 663 PHE CA . 18599 1 483 . 1 1 43 43 PHE CB C 13 42.055 0.075 . 1 . . . . 663 PHE CB . 18599 1 484 . 1 1 43 43 PHE CD1 C 13 131.631 0.073 . 3 . . . . 663 PHE CD1 . 18599 1 485 . 1 1 43 43 PHE CD2 C 13 131.631 0.073 . 3 . . . . 663 PHE CD2 . 18599 1 486 . 1 1 43 43 PHE CE1 C 13 131.187 0.097 . 3 . . . . 663 PHE CE1 . 18599 1 487 . 1 1 43 43 PHE CE2 C 13 131.187 0.097 . 3 . . . . 663 PHE CE2 . 18599 1 488 . 1 1 43 43 PHE N N 15 116.554 0.016 . 1 . . . . 663 PHE N . 18599 1 489 . 1 1 44 44 LEU H H 1 9.589 0.006 . 1 . . . . 664 LEU H . 18599 1 490 . 1 1 44 44 LEU HA H 1 4.593 0.005 . 1 . . . . 664 LEU HA . 18599 1 491 . 1 1 44 44 LEU HB2 H 1 1.444 0.005 . 2 . . . . 664 LEU HB2 . 18599 1 492 . 1 1 44 44 LEU HB3 H 1 1.282 0.007 . 2 . . . . 664 LEU HB3 . 18599 1 493 . 1 1 44 44 LEU HG H 1 1.223 0.003 . 1 . . . . 664 LEU HG . 18599 1 494 . 1 1 44 44 LEU HD11 H 1 0.813 0.004 . 2 . . . . 664 LEU HD11 . 18599 1 495 . 1 1 44 44 LEU HD12 H 1 0.813 0.004 . 2 . . . . 664 LEU HD12 . 18599 1 496 . 1 1 44 44 LEU HD13 H 1 0.813 0.004 . 2 . . . . 664 LEU HD13 . 18599 1 497 . 1 1 44 44 LEU HD21 H 1 0.763 0.004 . 2 . . . . 664 LEU HD21 . 18599 1 498 . 1 1 44 44 LEU HD22 H 1 0.763 0.004 . 2 . . . . 664 LEU HD22 . 18599 1 499 . 1 1 44 44 LEU HD23 H 1 0.763 0.004 . 2 . . . . 664 LEU HD23 . 18599 1 500 . 1 1 44 44 LEU C C 13 175.372 . . 1 . . . . 664 LEU C . 18599 1 501 . 1 1 44 44 LEU CA C 13 53.221 0.063 . 1 . . . . 664 LEU CA . 18599 1 502 . 1 1 44 44 LEU CB C 13 45.262 0.052 . 1 . . . . 664 LEU CB . 18599 1 503 . 1 1 44 44 LEU CG C 13 24.758 0.021 . 1 . . . . 664 LEU CG . 18599 1 504 . 1 1 44 44 LEU CD1 C 13 25.167 0.097 . 2 . . . . 664 LEU CD1 . 18599 1 505 . 1 1 44 44 LEU CD2 C 13 25.191 0.076 . 2 . . . . 664 LEU CD2 . 18599 1 506 . 1 1 44 44 LEU N N 15 122.602 0.02 . 1 . . . . 664 LEU N . 18599 1 507 . 1 1 45 45 MET H H 1 8.529 0.005 . 1 . . . . 665 MET H . 18599 1 508 . 1 1 45 45 MET HA H 1 4.809 0.002 . 1 . . . . 665 MET HA . 18599 1 509 . 1 1 45 45 MET HB2 H 1 2.003 0.003 . 2 . . . . 665 MET HB2 . 18599 1 510 . 1 1 45 45 MET HB3 H 1 1.962 0.001 . 2 . . . . 665 MET HB3 . 18599 1 511 . 1 1 45 45 MET HG2 H 1 2.320 0.005 . 1 . . . . 665 MET HG2 . 18599 1 512 . 1 1 45 45 MET HG3 H 1 2.320 0.005 . 1 . . . . 665 MET HG3 . 18599 1 513 . 1 1 45 45 MET HE1 H 1 1.872 0.004 . 1 . . . . 665 MET HE1 . 18599 1 514 . 1 1 45 45 MET HE2 H 1 1.872 0.004 . 1 . . . . 665 MET HE2 . 18599 1 515 . 1 1 45 45 MET HE3 H 1 1.872 0.004 . 1 . . . . 665 MET HE3 . 18599 1 516 . 1 1 45 45 MET C C 13 175.756 . . 1 . . . . 665 MET C . 18599 1 517 . 1 1 45 45 MET CA C 13 56.404 0.029 . 1 . . . . 665 MET CA . 18599 1 518 . 1 1 45 45 MET CB C 13 34.797 0.065 . 1 . . . . 665 MET CB . 18599 1 519 . 1 1 45 45 MET CG C 13 32.476 0.079 . 1 . . . . 665 MET CG . 18599 1 520 . 1 1 45 45 MET CE C 13 16.986 0.046 . 1 . . . . 665 MET CE . 18599 1 521 . 1 1 45 45 MET N N 15 124.257 0.021 . 1 . . . . 665 MET N . 18599 1 522 . 1 1 46 46 LYS H H 1 9.269 0.004 . 1 . . . . 666 LYS H . 18599 1 523 . 1 1 46 46 LYS HA H 1 4.610 0.003 . 1 . . . . 666 LYS HA . 18599 1 524 . 1 1 46 46 LYS HB2 H 1 1.790 0.014 . 2 . . . . 666 LYS HB2 . 18599 1 525 . 1 1 46 46 LYS HB3 H 1 1.547 0.011 . 2 . . . . 666 LYS HB3 . 18599 1 526 . 1 1 46 46 LYS HG2 H 1 1.220 0.003 . 2 . . . . 666 LYS HG2 . 18599 1 527 . 1 1 46 46 LYS HG3 H 1 1.220 0.003 . 2 . . . . 666 LYS HG3 . 18599 1 528 . 1 1 46 46 LYS HD2 H 1 1.366 0.002 . 1 . . . . 666 LYS HD2 . 18599 1 529 . 1 1 46 46 LYS HD3 H 1 1.366 0.002 . 1 . . . . 666 LYS HD3 . 18599 1 530 . 1 1 46 46 LYS HE2 H 1 2.867 0.008 . 2 . . . . 666 LYS HE2 . 18599 1 531 . 1 1 46 46 LYS HE3 H 1 2.867 0.008 . 2 . . . . 666 LYS HE3 . 18599 1 532 . 1 1 46 46 LYS C C 13 175.579 0.007 . 1 . . . . 666 LYS C . 18599 1 533 . 1 1 46 46 LYS CA C 13 55.603 0.102 . 1 . . . . 666 LYS CA . 18599 1 534 . 1 1 46 46 LYS CB C 13 33.877 0.064 . 1 . . . . 666 LYS CB . 18599 1 535 . 1 1 46 46 LYS CG C 13 24.633 0.091 . 1 . . . . 666 LYS CG . 18599 1 536 . 1 1 46 46 LYS CD C 13 24.743 0.092 . 1 . . . . 666 LYS CD . 18599 1 537 . 1 1 46 46 LYS CE C 13 41.949 0.037 . 1 . . . . 666 LYS CE . 18599 1 538 . 1 1 46 46 LYS N N 15 129.943 0.019 . 1 . . . . 666 LYS N . 18599 1 539 . 1 1 47 47 GLY H H 1 8.527 0.005 . 1 . . . . 667 GLY H . 18599 1 540 . 1 1 47 47 GLY HA2 H 1 3.743 0.005 . 2 . . . . 667 GLY HA2 . 18599 1 541 . 1 1 47 47 GLY HA3 H 1 4.562 0.005 . 2 . . . . 667 GLY HA3 . 18599 1 542 . 1 1 47 47 GLY C C 13 170.203 . . 1 . . . . 667 GLY C . 18599 1 543 . 1 1 47 47 GLY CA C 13 43.202 0.056 . 1 . . . . 667 GLY CA . 18599 1 544 . 1 1 47 47 GLY N N 15 115.751 0.035 . 1 . . . . 667 GLY N . 18599 1 545 . 1 1 48 48 PRO HA H 1 4.400 0.003 . 1 . . . . 668 PRO HA . 18599 1 546 . 1 1 48 48 PRO HB2 H 1 2.289 0.002 . 2 . . . . 668 PRO HB2 . 18599 1 547 . 1 1 48 48 PRO HB3 H 1 2.108 0.004 . 2 . . . . 668 PRO HB3 . 18599 1 548 . 1 1 48 48 PRO HG2 H 1 2.163 0.002 . 2 . . . . 668 PRO HG2 . 18599 1 549 . 1 1 48 48 PRO HG3 H 1 1.979 0.004 . 2 . . . . 668 PRO HG3 . 18599 1 550 . 1 1 48 48 PRO HD2 H 1 3.526 0.004 . 2 . . . . 668 PRO HD2 . 18599 1 551 . 1 1 48 48 PRO HD3 H 1 3.435 0.002 . 2 . . . . 668 PRO HD3 . 18599 1 552 . 1 1 48 48 PRO C C 13 175.239 . . 1 . . . . 668 PRO C . 18599 1 553 . 1 1 48 48 PRO CA C 13 62.879 0.047 . 1 . . . . 668 PRO CA . 18599 1 554 . 1 1 48 48 PRO CB C 13 32.619 0.078 . 1 . . . . 668 PRO CB . 18599 1 555 . 1 1 48 48 PRO CG C 13 27.393 0.092 . 1 . . . . 668 PRO CG . 18599 1 556 . 1 1 48 48 PRO CD C 13 49.714 0.07 . 1 . . . . 668 PRO CD . 18599 1 557 . 1 1 49 49 ASN H H 1 8.052 0.002 . 1 . . . . 669 ASN H . 18599 1 558 . 1 1 49 49 ASN HA H 1 4.539 0.004 . 1 . . . . 669 ASN HA . 18599 1 559 . 1 1 49 49 ASN HB2 H 1 2.872 0.003 . 2 . . . . 669 ASN HB2 . 18599 1 560 . 1 1 49 49 ASN HB3 H 1 3.425 0.004 . 2 . . . . 669 ASN HB3 . 18599 1 561 . 1 1 49 49 ASN HD21 H 1 6.945 0.004 . 1 . . . . 669 ASN HD21 . 18599 1 562 . 1 1 49 49 ASN HD22 H 1 7.569 0.003 . 1 . . . . 669 ASN HD22 . 18599 1 563 . 1 1 49 49 ASN C C 13 173.745 . . 1 . . . . 669 ASN C . 18599 1 564 . 1 1 49 49 ASN CA C 13 54.118 . . 1 . . . . 669 ASN CA . 18599 1 565 . 1 1 49 49 ASN CB C 13 38.156 0.072 . 1 . . . . 669 ASN CB . 18599 1 566 . 1 1 49 49 ASN CG C 13 177.858 0.013 . 1 . . . . 669 ASN CG . 18599 1 567 . 1 1 49 49 ASN N N 15 114.815 0.017 . 1 . . . . 669 ASN N . 18599 1 568 . 1 1 49 49 ASN ND2 N 15 112.157 0.039 . 1 . . . . 669 ASN ND2 . 18599 1 569 . 1 1 50 50 LYS H H 1 7.099 0.002 . 1 . . . . 670 LYS H . 18599 1 570 . 1 1 50 50 LYS HA H 1 5.487 0.003 . 1 . . . . 670 LYS HA . 18599 1 571 . 1 1 50 50 LYS HB2 H 1 1.578 0.006 . 2 . . . . 670 LYS HB2 . 18599 1 572 . 1 1 50 50 LYS HB3 H 1 1.633 0.015 . 2 . . . . 670 LYS HB3 . 18599 1 573 . 1 1 50 50 LYS HG2 H 1 1.151 0.003 . 2 . . . . 670 LYS HG2 . 18599 1 574 . 1 1 50 50 LYS HG3 H 1 1.408 0.005 . 2 . . . . 670 LYS HG3 . 18599 1 575 . 1 1 50 50 LYS HE2 H 1 2.895 0.006 . 2 . . . . 670 LYS HE2 . 18599 1 576 . 1 1 50 50 LYS HE3 H 1 2.895 0.006 . 2 . . . . 670 LYS HE3 . 18599 1 577 . 1 1 50 50 LYS C C 13 176.335 . . 1 . . . . 670 LYS C . 18599 1 578 . 1 1 50 50 LYS CA C 13 54.189 0.065 . 1 . . . . 670 LYS CA . 18599 1 579 . 1 1 50 50 LYS CB C 13 35.874 0.044 . 1 . . . . 670 LYS CB . 18599 1 580 . 1 1 50 50 LYS CG C 13 24.988 0.076 . 1 . . . . 670 LYS CG . 18599 1 581 . 1 1 50 50 LYS CE C 13 42.008 0.065 . 1 . . . . 670 LYS CE . 18599 1 582 . 1 1 50 50 LYS N N 15 115.624 0.015 . 1 . . . . 670 LYS N . 18599 1 583 . 1 1 51 51 ILE H H 1 8.812 0.002 . 1 . . . . 671 ILE H . 18599 1 584 . 1 1 51 51 ILE HA H 1 4.510 0.002 . 1 . . . . 671 ILE HA . 18599 1 585 . 1 1 51 51 ILE HB H 1 1.999 0.005 . 1 . . . . 671 ILE HB . 18599 1 586 . 1 1 51 51 ILE HG12 H 1 0.993 0.005 . 2 . . . . 671 ILE HG12 . 18599 1 587 . 1 1 51 51 ILE HG13 H 1 1.406 0.002 . 2 . . . . 671 ILE HG13 . 18599 1 588 . 1 1 51 51 ILE HG21 H 1 0.704 0.003 . 1 . . . . 671 ILE HG21 . 18599 1 589 . 1 1 51 51 ILE HG22 H 1 0.704 0.003 . 1 . . . . 671 ILE HG22 . 18599 1 590 . 1 1 51 51 ILE HG23 H 1 0.704 0.003 . 1 . . . . 671 ILE HG23 . 18599 1 591 . 1 1 51 51 ILE HD11 H 1 0.300 0.001 . 1 . . . . 671 ILE HD11 . 18599 1 592 . 1 1 51 51 ILE HD12 H 1 0.300 0.001 . 1 . . . . 671 ILE HD12 . 18599 1 593 . 1 1 51 51 ILE HD13 H 1 0.300 0.001 . 1 . . . . 671 ILE HD13 . 18599 1 594 . 1 1 51 51 ILE C C 13 173.313 . . 1 . . . . 671 ILE C . 18599 1 595 . 1 1 51 51 ILE CA C 13 59.465 0.055 . 1 . . . . 671 ILE CA . 18599 1 596 . 1 1 51 51 ILE CB C 13 40.537 0.08 . 1 . . . . 671 ILE CB . 18599 1 597 . 1 1 51 51 ILE CG1 C 13 26.010 0.097 . 1 . . . . 671 ILE CG1 . 18599 1 598 . 1 1 51 51 ILE CG2 C 13 17.883 0.06 . 1 . . . . 671 ILE CG2 . 18599 1 599 . 1 1 51 51 ILE CD1 C 13 14.661 0.027 . 1 . . . . 671 ILE CD1 . 18599 1 600 . 1 1 51 51 ILE N N 15 116.192 0.027 . 1 . . . . 671 ILE N . 18599 1 601 . 1 1 52 52 GLN H H 1 8.841 0.004 . 1 . . . . 672 GLN H . 18599 1 602 . 1 1 52 52 GLN HA H 1 5.536 0.005 . 1 . . . . 672 GLN HA . 18599 1 603 . 1 1 52 52 GLN HB2 H 1 1.709 0.007 . 2 . . . . 672 GLN HB2 . 18599 1 604 . 1 1 52 52 GLN HB3 H 1 1.920 0.006 . 2 . . . . 672 GLN HB3 . 18599 1 605 . 1 1 52 52 GLN HG2 H 1 2.020 0.003 . 1 . . . . 672 GLN HG2 . 18599 1 606 . 1 1 52 52 GLN HG3 H 1 2.020 0.003 . 1 . . . . 672 GLN HG3 . 18599 1 607 . 1 1 52 52 GLN HE21 H 1 6.761 0.002 . 1 . . . . 672 GLN HE21 . 18599 1 608 . 1 1 52 52 GLN HE22 H 1 7.345 0.002 . 1 . . . . 672 GLN HE22 . 18599 1 609 . 1 1 52 52 GLN C C 13 174.198 . . 1 . . . . 672 GLN C . 18599 1 610 . 1 1 52 52 GLN CA C 13 53.625 0.072 . 1 . . . . 672 GLN CA . 18599 1 611 . 1 1 52 52 GLN CB C 13 33.243 0.05 . 1 . . . . 672 GLN CB . 18599 1 612 . 1 1 52 52 GLN CG C 13 33.876 0.068 . 1 . . . . 672 GLN CG . 18599 1 613 . 1 1 52 52 GLN CD C 13 179.703 0.011 . 1 . . . . 672 GLN CD . 18599 1 614 . 1 1 52 52 GLN N N 15 120.759 0.015 . 1 . . . . 672 GLN N . 18599 1 615 . 1 1 52 52 GLN NE2 N 15 111.090 0.026 . 1 . . . . 672 GLN NE2 . 18599 1 616 . 1 1 53 53 CYS H H 1 8.438 0.004 . 1 . . . . 673 CYS H . 18599 1 617 . 1 1 53 53 CYS HA H 1 3.823 0.003 . 1 . . . . 673 CYS HA . 18599 1 618 . 1 1 53 53 CYS HB2 H 1 2.592 0.007 . 2 . . . . 673 CYS HB2 . 18599 1 619 . 1 1 53 53 CYS HB3 H 1 1.249 0.014 . 2 . . . . 673 CYS HB3 . 18599 1 620 . 1 1 53 53 CYS C C 13 173.919 . . 1 . . . . 673 CYS C . 18599 1 621 . 1 1 53 53 CYS CA C 13 54.537 0.069 . 1 . . . . 673 CYS CA . 18599 1 622 . 1 1 53 53 CYS CB C 13 38.461 0.06 . 1 . . . . 673 CYS CB . 18599 1 623 . 1 1 53 53 CYS N N 15 125.550 0.021 . 1 . . . . 673 CYS N . 18599 1 624 . 1 1 54 54 VAL H H 1 8.934 0.007 . 1 . . . . 674 VAL H . 18599 1 625 . 1 1 54 54 VAL HA H 1 4.314 0.002 . 1 . . . . 674 VAL HA . 18599 1 626 . 1 1 54 54 VAL HB H 1 2.046 0.004 . 1 . . . . 674 VAL HB . 18599 1 627 . 1 1 54 54 VAL HG11 H 1 0.891 0.002 . 2 . . . . 674 VAL HG11 . 18599 1 628 . 1 1 54 54 VAL HG12 H 1 0.891 0.002 . 2 . . . . 674 VAL HG12 . 18599 1 629 . 1 1 54 54 VAL HG13 H 1 0.891 0.002 . 2 . . . . 674 VAL HG13 . 18599 1 630 . 1 1 54 54 VAL HG21 H 1 0.695 0.002 . 2 . . . . 674 VAL HG21 . 18599 1 631 . 1 1 54 54 VAL HG22 H 1 0.695 0.002 . 2 . . . . 674 VAL HG22 . 18599 1 632 . 1 1 54 54 VAL HG23 H 1 0.695 0.002 . 2 . . . . 674 VAL HG23 . 18599 1 633 . 1 1 54 54 VAL C C 13 175.736 . . 1 . . . . 674 VAL C . 18599 1 634 . 1 1 54 54 VAL CA C 13 61.131 0.091 . 1 . . . . 674 VAL CA . 18599 1 635 . 1 1 54 54 VAL CB C 13 32.539 0.101 . 1 . . . . 674 VAL CB . 18599 1 636 . 1 1 54 54 VAL CG1 C 13 21.159 0.001 . 2 . . . . 674 VAL CG1 . 18599 1 637 . 1 1 54 54 VAL CG2 C 13 20.352 0.05 . 2 . . . . 674 VAL CG2 . 18599 1 638 . 1 1 54 54 VAL N N 15 133.044 0.035 . 1 . . . . 674 VAL N . 18599 1 639 . 1 1 55 55 ASP HA H 1 4.364 0.003 . 1 . . . . 675 ASP HA . 18599 1 640 . 1 1 55 55 ASP HB2 H 1 2.313 0.003 . 2 . . . . 675 ASP HB2 . 18599 1 641 . 1 1 55 55 ASP HB3 H 1 2.927 0.002 . 2 . . . . 675 ASP HB3 . 18599 1 642 . 1 1 55 55 ASP C C 13 176.299 . . 1 . . . . 675 ASP C . 18599 1 643 . 1 1 55 55 ASP CA C 13 54.804 0.103 . 1 . . . . 675 ASP CA . 18599 1 644 . 1 1 55 55 ASP CB C 13 40.125 0.07 . 1 . . . . 675 ASP CB . 18599 1 645 . 1 1 56 56 GLY H H 1 6.790 0.004 . 1 . . . . 676 GLY H . 18599 1 646 . 1 1 56 56 GLY HA2 H 1 3.935 0.005 . 2 . . . . 676 GLY HA2 . 18599 1 647 . 1 1 56 56 GLY HA3 H 1 3.448 0.008 . 2 . . . . 676 GLY HA3 . 18599 1 648 . 1 1 56 56 GLY C C 13 173.869 0.002 . 1 . . . . 676 GLY C . 18599 1 649 . 1 1 56 56 GLY CA C 13 45.888 0.078 . 1 . . . . 676 GLY CA . 18599 1 650 . 1 1 56 56 GLY N N 15 102.172 0.029 . 1 . . . . 676 GLY N . 18599 1 651 . 1 1 57 57 GLU H H 1 7.669 0.005 . 1 . . . . 677 GLU H . 18599 1 652 . 1 1 57 57 GLU HA H 1 4.603 0.01 . 1 . . . . 677 GLU HA . 18599 1 653 . 1 1 57 57 GLU HB2 H 1 1.978 0.005 . 2 . . . . 677 GLU HB2 . 18599 1 654 . 1 1 57 57 GLU HB3 H 1 1.794 0.005 . 2 . . . . 677 GLU HB3 . 18599 1 655 . 1 1 57 57 GLU HG2 H 1 2.262 0.004 . 2 . . . . 677 GLU HG2 . 18599 1 656 . 1 1 57 57 GLU HG3 H 1 2.177 0.003 . 2 . . . . 677 GLU HG3 . 18599 1 657 . 1 1 57 57 GLU C C 13 175.086 . . 1 . . . . 677 GLU C . 18599 1 658 . 1 1 57 57 GLU CA C 13 53.873 0.1 . 1 . . . . 677 GLU CA . 18599 1 659 . 1 1 57 57 GLU CB C 13 33.188 0.063 . 1 . . . . 677 GLU CB . 18599 1 660 . 1 1 57 57 GLU CG C 13 36.022 0.055 . 1 . . . . 677 GLU CG . 18599 1 661 . 1 1 57 57 GLU N N 15 121.266 0.012 . 1 . . . . 677 GLU N . 18599 1 662 . 1 1 58 58 TRP H H 1 8.554 0.004 . 1 . . . . 678 TRP H . 18599 1 663 . 1 1 58 58 TRP HA H 1 5.196 0.012 . 1 . . . . 678 TRP HA . 18599 1 664 . 1 1 58 58 TRP HB2 H 1 3.341 0.005 . 2 . . . . 678 TRP HB2 . 18599 1 665 . 1 1 58 58 TRP HB3 H 1 2.972 0.007 . 2 . . . . 678 TRP HB3 . 18599 1 666 . 1 1 58 58 TRP HD1 H 1 7.181 0.002 . 1 . . . . 678 TRP HD1 . 18599 1 667 . 1 1 58 58 TRP HE1 H 1 9.176 0.003 . 1 . . . . 678 TRP HE1 . 18599 1 668 . 1 1 58 58 TRP HE3 H 1 7.058 0.004 . 1 . . . . 678 TRP HE3 . 18599 1 669 . 1 1 58 58 TRP HZ2 H 1 7.017 0.002 . 1 . . . . 678 TRP HZ2 . 18599 1 670 . 1 1 58 58 TRP HZ3 H 1 6.688 0.005 . 1 . . . . 678 TRP HZ3 . 18599 1 671 . 1 1 58 58 TRP HH2 H 1 6.082 0.006 . 1 . . . . 678 TRP HH2 . 18599 1 672 . 1 1 58 58 TRP C C 13 178.682 . . 1 . . . . 678 TRP C . 18599 1 673 . 1 1 58 58 TRP CA C 13 56.797 0.063 . 1 . . . . 678 TRP CA . 18599 1 674 . 1 1 58 58 TRP CB C 13 31.120 0.059 . 1 . . . . 678 TRP CB . 18599 1 675 . 1 1 58 58 TRP CD1 C 13 126.076 0.043 . 1 . . . . 678 TRP CD1 . 18599 1 676 . 1 1 58 58 TRP CE3 C 13 120.655 0.058 . 1 . . . . 678 TRP CE3 . 18599 1 677 . 1 1 58 58 TRP CZ2 C 13 113.823 0.08 . 1 . . . . 678 TRP CZ2 . 18599 1 678 . 1 1 58 58 TRP CZ3 C 13 121.938 0.041 . 1 . . . . 678 TRP CZ3 . 18599 1 679 . 1 1 58 58 TRP CH2 C 13 123.525 0.094 . 1 . . . . 678 TRP CH2 . 18599 1 680 . 1 1 58 58 TRP N N 15 125.962 0.037 . 1 . . . . 678 TRP N . 18599 1 681 . 1 1 58 58 TRP NE1 N 15 128.100 0.031 . 1 . . . . 678 TRP NE1 . 18599 1 682 . 1 1 59 59 THR H H 1 8.432 0.004 . 1 . . . . 679 THR H . 18599 1 683 . 1 1 59 59 THR HA H 1 4.431 0.009 . 1 . . . . 679 THR HA . 18599 1 684 . 1 1 59 59 THR HB H 1 4.832 0.008 . 1 . . . . 679 THR HB . 18599 1 685 . 1 1 59 59 THR HG21 H 1 1.542 0.004 . 1 . . . . 679 THR HG21 . 18599 1 686 . 1 1 59 59 THR HG22 H 1 1.542 0.004 . 1 . . . . 679 THR HG22 . 18599 1 687 . 1 1 59 59 THR HG23 H 1 1.542 0.004 . 1 . . . . 679 THR HG23 . 18599 1 688 . 1 1 59 59 THR C C 13 172.950 . . 1 . . . . 679 THR C . 18599 1 689 . 1 1 59 59 THR CA C 13 62.731 0.071 . 1 . . . . 679 THR CA . 18599 1 690 . 1 1 59 59 THR CB C 13 70.189 0.025 . 1 . . . . 679 THR CB . 18599 1 691 . 1 1 59 59 THR CG2 C 13 22.496 0.043 . 1 . . . . 679 THR CG2 . 18599 1 692 . 1 1 59 59 THR N N 15 112.458 0.013 . 1 . . . . 679 THR N . 18599 1 693 . 1 1 60 60 THR H H 1 7.479 0.002 . 1 . . . . 680 THR H . 18599 1 694 . 1 1 60 60 THR HA H 1 3.833 0.008 . 1 . . . . 680 THR HA . 18599 1 695 . 1 1 60 60 THR HB H 1 3.892 0.003 . 1 . . . . 680 THR HB . 18599 1 696 . 1 1 60 60 THR HG21 H 1 1.301 0.013 . 1 . . . . 680 THR HG21 . 18599 1 697 . 1 1 60 60 THR HG22 H 1 1.301 0.013 . 1 . . . . 680 THR HG22 . 18599 1 698 . 1 1 60 60 THR HG23 H 1 1.301 0.013 . 1 . . . . 680 THR HG23 . 18599 1 699 . 1 1 60 60 THR C C 13 173.842 . . 1 . . . . 680 THR C . 18599 1 700 . 1 1 60 60 THR CA C 13 64.236 0.06 . 1 . . . . 680 THR CA . 18599 1 701 . 1 1 60 60 THR CB C 13 70.234 0.1 . 1 . . . . 680 THR CB . 18599 1 702 . 1 1 60 60 THR CG2 C 13 21.831 0.06 . 1 . . . . 680 THR CG2 . 18599 1 703 . 1 1 60 60 THR N N 15 110.731 0.01 . 1 . . . . 680 THR N . 18599 1 704 . 1 1 61 61 LEU H H 1 8.106 0.003 . 1 . . . . 681 LEU H . 18599 1 705 . 1 1 61 61 LEU HA H 1 4.022 0.004 . 1 . . . . 681 LEU HA . 18599 1 706 . 1 1 61 61 LEU HB2 H 1 1.565 0.004 . 2 . . . . 681 LEU HB2 . 18599 1 707 . 1 1 61 61 LEU HB3 H 1 1.417 0.006 . 2 . . . . 681 LEU HB3 . 18599 1 708 . 1 1 61 61 LEU HG H 1 1.484 0.003 . 1 . . . . 681 LEU HG . 18599 1 709 . 1 1 61 61 LEU HD11 H 1 0.639 0.003 . 2 . . . . 681 LEU HD11 . 18599 1 710 . 1 1 61 61 LEU HD12 H 1 0.639 0.003 . 2 . . . . 681 LEU HD12 . 18599 1 711 . 1 1 61 61 LEU HD13 H 1 0.639 0.003 . 2 . . . . 681 LEU HD13 . 18599 1 712 . 1 1 61 61 LEU HD21 H 1 0.374 0.001 . 2 . . . . 681 LEU HD21 . 18599 1 713 . 1 1 61 61 LEU HD22 H 1 0.374 0.001 . 2 . . . . 681 LEU HD22 . 18599 1 714 . 1 1 61 61 LEU HD23 H 1 0.374 0.001 . 2 . . . . 681 LEU HD23 . 18599 1 715 . 1 1 61 61 LEU C C 13 176.088 . . 1 . . . . 681 LEU C . 18599 1 716 . 1 1 61 61 LEU CA C 13 54.252 0.051 . 1 . . . . 681 LEU CA . 18599 1 717 . 1 1 61 61 LEU CB C 13 42.990 0.063 . 1 . . . . 681 LEU CB . 18599 1 718 . 1 1 61 61 LEU CG C 13 28.066 0.058 . 1 . . . . 681 LEU CG . 18599 1 719 . 1 1 61 61 LEU CD1 C 13 25.396 0.058 . 2 . . . . 681 LEU CD1 . 18599 1 720 . 1 1 61 61 LEU CD2 C 13 24.894 0.028 . 2 . . . . 681 LEU CD2 . 18599 1 721 . 1 1 61 61 LEU N N 15 127.707 0.015 . 1 . . . . 681 LEU N . 18599 1 722 . 1 1 62 62 PRO HA H 1 4.635 0.001 . 1 . . . . 682 PRO HA . 18599 1 723 . 1 1 62 62 PRO HB2 H 1 1.504 0.011 . 2 . . . . 682 PRO HB2 . 18599 1 724 . 1 1 62 62 PRO HB3 H 1 2.113 0.003 . 2 . . . . 682 PRO HB3 . 18599 1 725 . 1 1 62 62 PRO HG2 H 1 1.164 0.002 . 2 . . . . 682 PRO HG2 . 18599 1 726 . 1 1 62 62 PRO HG3 H 1 1.808 0.002 . 2 . . . . 682 PRO HG3 . 18599 1 727 . 1 1 62 62 PRO HD2 H 1 3.395 0.004 . 2 . . . . 682 PRO HD2 . 18599 1 728 . 1 1 62 62 PRO HD3 H 1 2.888 0.003 . 2 . . . . 682 PRO HD3 . 18599 1 729 . 1 1 62 62 PRO C C 13 172.947 . . 1 . . . . 682 PRO C . 18599 1 730 . 1 1 62 62 PRO CA C 13 62.285 0.028 . 1 . . . . 682 PRO CA . 18599 1 731 . 1 1 62 62 PRO CB C 13 33.225 0.045 . 1 . . . . 682 PRO CB . 18599 1 732 . 1 1 62 62 PRO CG C 13 26.043 0.018 . 1 . . . . 682 PRO CG . 18599 1 733 . 1 1 62 62 PRO CD C 13 48.734 0.041 . 1 . . . . 682 PRO CD . 18599 1 734 . 1 1 63 63 VAL H H 1 7.990 0.003 . 1 . . . . 683 VAL H . 18599 1 735 . 1 1 63 63 VAL HA H 1 4.243 0.004 . 1 . . . . 683 VAL HA . 18599 1 736 . 1 1 63 63 VAL HB H 1 1.839 0.005 . 1 . . . . 683 VAL HB . 18599 1 737 . 1 1 63 63 VAL HG11 H 1 0.978 0.002 . 2 . . . . 683 VAL HG11 . 18599 1 738 . 1 1 63 63 VAL HG12 H 1 0.978 0.002 . 2 . . . . 683 VAL HG12 . 18599 1 739 . 1 1 63 63 VAL HG13 H 1 0.978 0.002 . 2 . . . . 683 VAL HG13 . 18599 1 740 . 1 1 63 63 VAL HG21 H 1 0.855 0.003 . 2 . . . . 683 VAL HG21 . 18599 1 741 . 1 1 63 63 VAL HG22 H 1 0.855 0.003 . 2 . . . . 683 VAL HG22 . 18599 1 742 . 1 1 63 63 VAL HG23 H 1 0.855 0.003 . 2 . . . . 683 VAL HG23 . 18599 1 743 . 1 1 63 63 VAL C C 13 174.429 . . 1 . . . . 683 VAL C . 18599 1 744 . 1 1 63 63 VAL CA C 13 60.389 0.078 . 1 . . . . 683 VAL CA . 18599 1 745 . 1 1 63 63 VAL CB C 13 35.611 0.067 . 1 . . . . 683 VAL CB . 18599 1 746 . 1 1 63 63 VAL CG1 C 13 21.606 0.059 . 2 . . . . 683 VAL CG1 . 18599 1 747 . 1 1 63 63 VAL CG2 C 13 21.100 0.079 . 2 . . . . 683 VAL CG2 . 18599 1 748 . 1 1 63 63 VAL N N 15 111.243 0.016 . 1 . . . . 683 VAL N . 18599 1 749 . 1 1 64 64 CYS H H 1 8.688 0.003 . 1 . . . . 684 CYS H . 18599 1 750 . 1 1 64 64 CYS HA H 1 5.363 0.004 . 1 . . . . 684 CYS HA . 18599 1 751 . 1 1 64 64 CYS HB2 H 1 2.624 0.007 . 1 . . . . 684 CYS HB2 . 18599 1 752 . 1 1 64 64 CYS HB3 H 1 2.624 0.007 . 1 . . . . 684 CYS HB3 . 18599 1 753 . 1 1 64 64 CYS C C 13 174.534 . . 1 . . . . 684 CYS C . 18599 1 754 . 1 1 64 64 CYS CA C 13 53.571 0.07 . 1 . . . . 684 CYS CA . 18599 1 755 . 1 1 64 64 CYS CB C 13 40.319 0.082 . 1 . . . . 684 CYS CB . 18599 1 756 . 1 1 64 64 CYS N N 15 122.966 0.022 . 1 . . . . 684 CYS N . 18599 1 757 . 1 1 65 65 ILE H H 1 9.508 0.006 . 1 . . . . 685 ILE H . 18599 1 758 . 1 1 65 65 ILE HA H 1 4.730 0.004 . 1 . . . . 685 ILE HA . 18599 1 759 . 1 1 65 65 ILE HB H 1 1.932 0.005 . 1 . . . . 685 ILE HB . 18599 1 760 . 1 1 65 65 ILE HG12 H 1 1.421 0.003 . 2 . . . . 685 ILE HG12 . 18599 1 761 . 1 1 65 65 ILE HG13 H 1 1.184 0.006 . 2 . . . . 685 ILE HG13 . 18599 1 762 . 1 1 65 65 ILE HG21 H 1 0.933 0.002 . 1 . . . . 685 ILE HG21 . 18599 1 763 . 1 1 65 65 ILE HG22 H 1 0.933 0.002 . 1 . . . . 685 ILE HG22 . 18599 1 764 . 1 1 65 65 ILE HG23 H 1 0.933 0.002 . 1 . . . . 685 ILE HG23 . 18599 1 765 . 1 1 65 65 ILE HD11 H 1 0.782 0.002 . 1 . . . . 685 ILE HD11 . 18599 1 766 . 1 1 65 65 ILE HD12 H 1 0.782 0.002 . 1 . . . . 685 ILE HD12 . 18599 1 767 . 1 1 65 65 ILE HD13 H 1 0.782 0.002 . 1 . . . . 685 ILE HD13 . 18599 1 768 . 1 1 65 65 ILE C C 13 175.471 . . 1 . . . . 685 ILE C . 18599 1 769 . 1 1 65 65 ILE CA C 13 59.338 0.03 . 1 . . . . 685 ILE CA . 18599 1 770 . 1 1 65 65 ILE CB C 13 40.452 0.057 . 1 . . . . 685 ILE CB . 18599 1 771 . 1 1 65 65 ILE CG1 C 13 26.792 0.058 . 1 . . . . 685 ILE CG1 . 18599 1 772 . 1 1 65 65 ILE CG2 C 13 17.997 0.113 . 1 . . . . 685 ILE CG2 . 18599 1 773 . 1 1 65 65 ILE CD1 C 13 13.336 0.105 . 1 . . . . 685 ILE CD1 . 18599 1 774 . 1 1 65 65 ILE N N 15 124.504 0.03 . 1 . . . . 685 ILE N . 18599 1 775 . 1 1 66 66 VAL H H 1 8.513 0.004 . 1 . . . . 686 VAL H . 18599 1 776 . 1 1 66 66 VAL HA H 1 3.410 0.005 . 1 . . . . 686 VAL HA . 18599 1 777 . 1 1 66 66 VAL HB H 1 1.812 0.005 . 1 . . . . 686 VAL HB . 18599 1 778 . 1 1 66 66 VAL HG11 H 1 0.746 0.003 . 2 . . . . 686 VAL HG11 . 18599 1 779 . 1 1 66 66 VAL HG12 H 1 0.746 0.003 . 2 . . . . 686 VAL HG12 . 18599 1 780 . 1 1 66 66 VAL HG13 H 1 0.746 0.003 . 2 . . . . 686 VAL HG13 . 18599 1 781 . 1 1 66 66 VAL HG21 H 1 0.729 0.006 . 2 . . . . 686 VAL HG21 . 18599 1 782 . 1 1 66 66 VAL HG22 H 1 0.729 0.006 . 2 . . . . 686 VAL HG22 . 18599 1 783 . 1 1 66 66 VAL HG23 H 1 0.729 0.006 . 2 . . . . 686 VAL HG23 . 18599 1 784 . 1 1 66 66 VAL C C 13 175.462 . . 1 . . . . 686 VAL C . 18599 1 785 . 1 1 66 66 VAL CA C 13 63.623 0.073 . 1 . . . . 686 VAL CA . 18599 1 786 . 1 1 66 66 VAL CB C 13 32.084 0.131 . 1 . . . . 686 VAL CB . 18599 1 787 . 1 1 66 66 VAL CG1 C 13 21.962 0.064 . 2 . . . . 686 VAL CG1 . 18599 1 788 . 1 1 66 66 VAL CG2 C 13 20.860 0.052 . 2 . . . . 686 VAL CG2 . 18599 1 789 . 1 1 66 66 VAL N N 15 125.660 0.026 . 1 . . . . 686 VAL N . 18599 1 790 . 1 1 67 67 GLU H H 1 8.059 0.004 . 1 . . . . 687 GLU H . 18599 1 791 . 1 1 67 67 GLU HA H 1 4.195 0.005 . 1 . . . . 687 GLU HA . 18599 1 792 . 1 1 67 67 GLU HB2 H 1 1.602 0.006 . 2 . . . . 687 GLU HB2 . 18599 1 793 . 1 1 67 67 GLU HB3 H 1 1.564 0.013 . 2 . . . . 687 GLU HB3 . 18599 1 794 . 1 1 67 67 GLU HG2 H 1 1.979 0.006 . 2 . . . . 687 GLU HG2 . 18599 1 795 . 1 1 67 67 GLU HG3 H 1 1.979 0.006 . 2 . . . . 687 GLU HG3 . 18599 1 796 . 1 1 67 67 GLU C C 13 175.973 . . 1 . . . . 687 GLU C . 18599 1 797 . 1 1 67 67 GLU CA C 13 56.271 0.043 . 1 . . . . 687 GLU CA . 18599 1 798 . 1 1 67 67 GLU CB C 13 30.534 0.069 . 1 . . . . 687 GLU CB . 18599 1 799 . 1 1 67 67 GLU CG C 13 36.365 0.069 . 1 . . . . 687 GLU CG . 18599 1 800 . 1 1 67 67 GLU N N 15 127.765 0.02 . 1 . . . . 687 GLU N . 18599 1 801 . 1 1 68 68 GLU H H 1 8.482 0.003 . 1 . . . . 688 GLU H . 18599 1 802 . 1 1 68 68 GLU HA H 1 4.353 0.009 . 1 . . . . 688 GLU HA . 18599 1 803 . 1 1 68 68 GLU HB2 H 1 2.088 0.013 . 2 . . . . 688 GLU HB2 . 18599 1 804 . 1 1 68 68 GLU HB3 H 1 1.832 0.012 . 2 . . . . 688 GLU HB3 . 18599 1 805 . 1 1 68 68 GLU HG2 H 1 2.155 0.003 . 2 . . . . 688 GLU HG2 . 18599 1 806 . 1 1 68 68 GLU HG3 H 1 2.155 0.003 . 2 . . . . 688 GLU HG3 . 18599 1 807 . 1 1 68 68 GLU C C 13 176.315 . . 1 . . . . 688 GLU C . 18599 1 808 . 1 1 68 68 GLU CA C 13 56.393 0.057 . 1 . . . . 688 GLU CA . 18599 1 809 . 1 1 68 68 GLU CB C 13 30.501 0.065 . 1 . . . . 688 GLU CB . 18599 1 810 . 1 1 68 68 GLU CG C 13 36.361 0.075 . 1 . . . . 688 GLU CG . 18599 1 811 . 1 1 68 68 GLU N N 15 123.275 0.013 . 1 . . . . 688 GLU N . 18599 1 812 . 1 1 69 69 SER H H 1 8.135 0.003 . 1 . . . . 689 SER H . 18599 1 813 . 1 1 69 69 SER HA H 1 4.295 0.014 . 1 . . . . 689 SER HA . 18599 1 814 . 1 1 69 69 SER HB2 H 1 3.830 0.0 . 2 . . . . 689 SER HB2 . 18599 1 815 . 1 1 69 69 SER HB3 H 1 3.739 0.004 . 2 . . . . 689 SER HB3 . 18599 1 816 . 1 1 69 69 SER C C 13 174.240 . . 1 . . . . 689 SER C . 18599 1 817 . 1 1 69 69 SER CA C 13 58.813 0.089 . 1 . . . . 689 SER CA . 18599 1 818 . 1 1 69 69 SER CB C 13 63.737 0.06 . 1 . . . . 689 SER CB . 18599 1 819 . 1 1 69 69 SER N N 15 116.056 0.026 . 1 . . . . 689 SER N . 18599 1 820 . 1 1 70 70 THR H H 1 7.917 0.002 . 1 . . . . 690 THR H . 18599 1 821 . 1 1 70 70 THR HA H 1 5.132 0.004 . 1 . . . . 690 THR HA . 18599 1 822 . 1 1 70 70 THR HB H 1 4.229 0.005 . 1 . . . . 690 THR HB . 18599 1 823 . 1 1 70 70 THR HG21 H 1 0.865 0.005 . 1 . . . . 690 THR HG21 . 18599 1 824 . 1 1 70 70 THR HG22 H 1 0.865 0.005 . 1 . . . . 690 THR HG22 . 18599 1 825 . 1 1 70 70 THR HG23 H 1 0.865 0.005 . 1 . . . . 690 THR HG23 . 18599 1 826 . 1 1 70 70 THR C C 13 175.315 . . 1 . . . . 690 THR C . 18599 1 827 . 1 1 70 70 THR CA C 13 59.370 0.06 . 1 . . . . 690 THR CA . 18599 1 828 . 1 1 70 70 THR CB C 13 72.316 0.034 . 1 . . . . 690 THR CB . 18599 1 829 . 1 1 70 70 THR CG2 C 13 21.888 0.085 . 1 . . . . 690 THR CG2 . 18599 1 830 . 1 1 70 70 THR N N 15 111.463 0.033 . 1 . . . . 690 THR N . 18599 1 831 . 1 1 71 71 CYS H H 1 8.359 0.003 . 1 . . . . 691 CYS H . 18599 1 832 . 1 1 71 71 CYS HA H 1 4.441 0.004 . 1 . . . . 691 CYS HA . 18599 1 833 . 1 1 71 71 CYS HB2 H 1 2.324 0.006 . 2 . . . . 691 CYS HB2 . 18599 1 834 . 1 1 71 71 CYS HB3 H 1 1.853 0.006 . 2 . . . . 691 CYS HB3 . 18599 1 835 . 1 1 71 71 CYS C C 13 174.320 . . 1 . . . . 691 CYS C . 18599 1 836 . 1 1 71 71 CYS CA C 13 58.057 0.048 . 1 . . . . 691 CYS CA . 18599 1 837 . 1 1 71 71 CYS CB C 13 43.957 0.087 . 1 . . . . 691 CYS CB . 18599 1 838 . 1 1 71 71 CYS N N 15 116.343 0.017 . 1 . . . . 691 CYS N . 18599 1 839 . 1 1 72 72 GLY H H 1 8.430 0.003 . 1 . . . . 692 GLY H . 18599 1 840 . 1 1 72 72 GLY HA2 H 1 4.386 0.017 . 2 . . . . 692 GLY HA2 . 18599 1 841 . 1 1 72 72 GLY HA3 H 1 3.789 0.006 . 2 . . . . 692 GLY HA3 . 18599 1 842 . 1 1 72 72 GLY C C 13 172.767 . . 1 . . . . 692 GLY C . 18599 1 843 . 1 1 72 72 GLY CA C 13 44.180 0.05 . 1 . . . . 692 GLY CA . 18599 1 844 . 1 1 72 72 GLY N N 15 108.699 0.021 . 1 . . . . 692 GLY N . 18599 1 845 . 1 1 73 73 ASP H H 1 8.045 0.003 . 1 . . . . 693 ASP H . 18599 1 846 . 1 1 73 73 ASP HA H 1 4.514 0.004 . 1 . . . . 693 ASP HA . 18599 1 847 . 1 1 73 73 ASP HB2 H 1 2.635 0.002 . 2 . . . . 693 ASP HB2 . 18599 1 848 . 1 1 73 73 ASP HB3 H 1 2.461 0.006 . 2 . . . . 693 ASP HB3 . 18599 1 849 . 1 1 73 73 ASP C C 13 176.512 . . 1 . . . . 693 ASP C . 18599 1 850 . 1 1 73 73 ASP CA C 13 55.052 0.063 . 1 . . . . 693 ASP CA . 18599 1 851 . 1 1 73 73 ASP CB C 13 41.583 0.055 . 1 . . . . 693 ASP CB . 18599 1 852 . 1 1 73 73 ASP N N 15 117.396 0.026 . 1 . . . . 693 ASP N . 18599 1 853 . 1 1 74 74 ILE H H 1 8.218 0.004 . 1 . . . . 694 ILE H . 18599 1 854 . 1 1 74 74 ILE HA H 1 3.422 0.005 . 1 . . . . 694 ILE HA . 18599 1 855 . 1 1 74 74 ILE HB H 1 1.390 0.005 . 1 . . . . 694 ILE HB . 18599 1 856 . 1 1 74 74 ILE HG12 H 1 1.254 0.006 . 2 . . . . 694 ILE HG12 . 18599 1 857 . 1 1 74 74 ILE HG13 H 1 1.254 0.006 . 2 . . . . 694 ILE HG13 . 18599 1 858 . 1 1 74 74 ILE HG21 H 1 0.436 0.007 . 1 . . . . 694 ILE HG21 . 18599 1 859 . 1 1 74 74 ILE HG22 H 1 0.436 0.007 . 1 . . . . 694 ILE HG22 . 18599 1 860 . 1 1 74 74 ILE HG23 H 1 0.436 0.007 . 1 . . . . 694 ILE HG23 . 18599 1 861 . 1 1 74 74 ILE HD11 H 1 0.376 0.007 . 1 . . . . 694 ILE HD11 . 18599 1 862 . 1 1 74 74 ILE HD12 H 1 0.376 0.007 . 1 . . . . 694 ILE HD12 . 18599 1 863 . 1 1 74 74 ILE HD13 H 1 0.376 0.007 . 1 . . . . 694 ILE HD13 . 18599 1 864 . 1 1 74 74 ILE C C 13 174.512 . . 1 . . . . 694 ILE C . 18599 1 865 . 1 1 74 74 ILE CA C 13 59.295 0.069 . 1 . . . . 694 ILE CA . 18599 1 866 . 1 1 74 74 ILE CB C 13 38.300 0.06 . 1 . . . . 694 ILE CB . 18599 1 867 . 1 1 74 74 ILE CG1 C 13 27.566 0.082 . 1 . . . . 694 ILE CG1 . 18599 1 868 . 1 1 74 74 ILE CG2 C 13 17.701 0.049 . 1 . . . . 694 ILE CG2 . 18599 1 869 . 1 1 74 74 ILE CD1 C 13 14.152 0.052 . 1 . . . . 694 ILE CD1 . 18599 1 870 . 1 1 74 74 ILE N N 15 121.488 0.013 . 1 . . . . 694 ILE N . 18599 1 871 . 1 1 75 75 PRO HA H 1 4.336 0.004 . 1 . . . . 695 PRO HA . 18599 1 872 . 1 1 75 75 PRO HB2 H 1 2.218 0.002 . 2 . . . . 695 PRO HB2 . 18599 1 873 . 1 1 75 75 PRO HB3 H 1 1.715 0.004 . 2 . . . . 695 PRO HB3 . 18599 1 874 . 1 1 75 75 PRO HG2 H 1 1.851 0.002 . 2 . . . . 695 PRO HG2 . 18599 1 875 . 1 1 75 75 PRO HG3 H 1 1.721 0.005 . 2 . . . . 695 PRO HG3 . 18599 1 876 . 1 1 75 75 PRO HD2 H 1 3.225 0.005 . 2 . . . . 695 PRO HD2 . 18599 1 877 . 1 1 75 75 PRO HD3 H 1 2.684 0.005 . 2 . . . . 695 PRO HD3 . 18599 1 878 . 1 1 75 75 PRO C C 13 174.894 . . 1 . . . . 695 PRO C . 18599 1 879 . 1 1 75 75 PRO CA C 13 62.268 0.063 . 1 . . . . 695 PRO CA . 18599 1 880 . 1 1 75 75 PRO CB C 13 32.419 0.034 . 1 . . . . 695 PRO CB . 18599 1 881 . 1 1 75 75 PRO CG C 13 27.302 0.046 . 1 . . . . 695 PRO CG . 18599 1 882 . 1 1 75 75 PRO CD C 13 50.529 0.042 . 1 . . . . 695 PRO CD . 18599 1 883 . 1 1 76 76 GLU H H 1 7.896 0.002 . 1 . . . . 696 GLU H . 18599 1 884 . 1 1 76 76 GLU HA H 1 4.092 0.002 . 1 . . . . 696 GLU HA . 18599 1 885 . 1 1 76 76 GLU HB2 H 1 1.840 0.0 . 2 . . . . 696 GLU HB2 . 18599 1 886 . 1 1 76 76 GLU HB3 H 1 1.804 0.002 . 2 . . . . 696 GLU HB3 . 18599 1 887 . 1 1 76 76 GLU HG2 H 1 2.227 0.0 . 2 . . . . 696 GLU HG2 . 18599 1 888 . 1 1 76 76 GLU HG3 H 1 2.064 0.0 . 2 . . . . 696 GLU HG3 . 18599 1 889 . 1 1 76 76 GLU C C 13 175.063 . . 1 . . . . 696 GLU C . 18599 1 890 . 1 1 76 76 GLU CA C 13 56.257 0.067 . 1 . . . . 696 GLU CA . 18599 1 891 . 1 1 76 76 GLU CB C 13 30.956 0.005 . 1 . . . . 696 GLU CB . 18599 1 892 . 1 1 76 76 GLU CG C 13 36.348 0.001 . 1 . . . . 696 GLU CG . 18599 1 893 . 1 1 76 76 GLU N N 15 117.956 0.008 . 1 . . . . 696 GLU N . 18599 1 894 . 1 1 77 77 LEU H H 1 8.551 0.003 . 1 . . . . 697 LEU H . 18599 1 895 . 1 1 77 77 LEU HA H 1 4.244 0.005 . 1 . . . . 697 LEU HA . 18599 1 896 . 1 1 77 77 LEU HB2 H 1 1.461 0.004 . 2 . . . . 697 LEU HB2 . 18599 1 897 . 1 1 77 77 LEU HB3 H 1 0.610 0.009 . 2 . . . . 697 LEU HB3 . 18599 1 898 . 1 1 77 77 LEU HG H 1 0.955 0.007 . 1 . . . . 697 LEU HG . 18599 1 899 . 1 1 77 77 LEU HD11 H 1 0.482 0.003 . 2 . . . . 697 LEU HD11 . 18599 1 900 . 1 1 77 77 LEU HD12 H 1 0.482 0.003 . 2 . . . . 697 LEU HD12 . 18599 1 901 . 1 1 77 77 LEU HD13 H 1 0.482 0.003 . 2 . . . . 697 LEU HD13 . 18599 1 902 . 1 1 77 77 LEU HD21 H 1 0.385 0.002 . 2 . . . . 697 LEU HD21 . 18599 1 903 . 1 1 77 77 LEU HD22 H 1 0.385 0.002 . 2 . . . . 697 LEU HD22 . 18599 1 904 . 1 1 77 77 LEU HD23 H 1 0.385 0.002 . 2 . . . . 697 LEU HD23 . 18599 1 905 . 1 1 77 77 LEU C C 13 175.576 . . 1 . . . . 697 LEU C . 18599 1 906 . 1 1 77 77 LEU CA C 13 52.541 0.031 . 1 . . . . 697 LEU CA . 18599 1 907 . 1 1 77 77 LEU CB C 13 44.070 0.046 . 1 . . . . 697 LEU CB . 18599 1 908 . 1 1 77 77 LEU CG C 13 26.573 0.054 . 1 . . . . 697 LEU CG . 18599 1 909 . 1 1 77 77 LEU CD1 C 13 24.294 0.001 . 2 . . . . 697 LEU CD1 . 18599 1 910 . 1 1 77 77 LEU CD2 C 13 24.586 . . 2 . . . . 697 LEU CD2 . 18599 1 911 . 1 1 77 77 LEU N N 15 126.583 0.039 . 1 . . . . 697 LEU N . 18599 1 912 . 1 1 78 78 GLU H H 1 8.646 0.002 . 1 . . . . 698 GLU H . 18599 1 913 . 1 1 78 78 GLU HA H 1 3.769 0.007 . 1 . . . . 698 GLU HA . 18599 1 914 . 1 1 78 78 GLU HB2 H 1 1.498 0.003 . 2 . . . . 698 GLU HB2 . 18599 1 915 . 1 1 78 78 GLU HB3 H 1 1.702 0.006 . 2 . . . . 698 GLU HB3 . 18599 1 916 . 1 1 78 78 GLU HG2 H 1 1.405 0.005 . 2 . . . . 698 GLU HG2 . 18599 1 917 . 1 1 78 78 GLU HG3 H 1 1.868 0.01 . 2 . . . . 698 GLU HG3 . 18599 1 918 . 1 1 78 78 GLU C C 13 177.324 . . 1 . . . . 698 GLU C . 18599 1 919 . 1 1 78 78 GLU CA C 13 57.890 0.022 . 1 . . . . 698 GLU CA . 18599 1 920 . 1 1 78 78 GLU CB C 13 28.987 0.063 . 1 . . . . 698 GLU CB . 18599 1 921 . 1 1 78 78 GLU CG C 13 35.864 0.022 . 1 . . . . 698 GLU CG . 18599 1 922 . 1 1 78 78 GLU N N 15 130.163 0.015 . 1 . . . . 698 GLU N . 18599 1 923 . 1 1 79 79 HIS H H 1 8.788 0.004 . 1 . . . . 699 HIS H . 18599 1 924 . 1 1 79 79 HIS HA H 1 3.932 0.006 . 1 . . . . 699 HIS HA . 18599 1 925 . 1 1 79 79 HIS HB2 H 1 2.777 0.006 . 2 . . . . 699 HIS HB2 . 18599 1 926 . 1 1 79 79 HIS HB3 H 1 1.612 0.002 . 2 . . . . 699 HIS HB3 . 18599 1 927 . 1 1 79 79 HIS C C 13 172.776 . . 1 . . . . 699 HIS C . 18599 1 928 . 1 1 79 79 HIS CA C 13 56.161 0.057 . 1 . . . . 699 HIS CA . 18599 1 929 . 1 1 79 79 HIS CB C 13 25.405 0.059 . 1 . . . . 699 HIS CB . 18599 1 930 . 1 1 79 79 HIS N N 15 116.748 0.04 . 1 . . . . 699 HIS N . 18599 1 931 . 1 1 80 80 GLY H H 1 7.732 0.003 . 1 . . . . 700 GLY H . 18599 1 932 . 1 1 80 80 GLY HA2 H 1 4.608 0.008 . 2 . . . . 700 GLY HA2 . 18599 1 933 . 1 1 80 80 GLY HA3 H 1 3.958 0.007 . 2 . . . . 700 GLY HA3 . 18599 1 934 . 1 1 80 80 GLY C C 13 171.950 . . 1 . . . . 700 GLY C . 18599 1 935 . 1 1 80 80 GLY CA C 13 46.379 0.075 . 1 . . . . 700 GLY CA . 18599 1 936 . 1 1 80 80 GLY N N 15 105.232 0.018 . 1 . . . . 700 GLY N . 18599 1 937 . 1 1 81 81 TRP H H 1 8.727 0.003 . 1 . . . . 701 TRP H . 18599 1 938 . 1 1 81 81 TRP HA H 1 5.043 0.002 . 1 . . . . 701 TRP HA . 18599 1 939 . 1 1 81 81 TRP HB2 H 1 3.373 0.005 . 2 . . . . 701 TRP HB2 . 18599 1 940 . 1 1 81 81 TRP HB3 H 1 3.196 0.005 . 2 . . . . 701 TRP HB3 . 18599 1 941 . 1 1 81 81 TRP HD1 H 1 6.891 0.003 . 1 . . . . 701 TRP HD1 . 18599 1 942 . 1 1 81 81 TRP HE1 H 1 9.844 0.008 . 1 . . . . 701 TRP HE1 . 18599 1 943 . 1 1 81 81 TRP HE3 H 1 7.335 0.002 . 1 . . . . 701 TRP HE3 . 18599 1 944 . 1 1 81 81 TRP HZ2 H 1 7.263 0.002 . 1 . . . . 701 TRP HZ2 . 18599 1 945 . 1 1 81 81 TRP HZ3 H 1 6.878 0.003 . 1 . . . . 701 TRP HZ3 . 18599 1 946 . 1 1 81 81 TRP HH2 H 1 7.056 0.004 . 1 . . . . 701 TRP HH2 . 18599 1 947 . 1 1 81 81 TRP C C 13 173.178 . . 1 . . . . 701 TRP C . 18599 1 948 . 1 1 81 81 TRP CA C 13 56.515 0.106 . 1 . . . . 701 TRP CA . 18599 1 949 . 1 1 81 81 TRP CB C 13 30.987 0.087 . 1 . . . . 701 TRP CB . 18599 1 950 . 1 1 81 81 TRP CD1 C 13 127.753 0.055 . 1 . . . . 701 TRP CD1 . 18599 1 951 . 1 1 81 81 TRP CE3 C 13 121.344 0.073 . 1 . . . . 701 TRP CE3 . 18599 1 952 . 1 1 81 81 TRP CZ2 C 13 113.890 0.033 . 1 . . . . 701 TRP CZ2 . 18599 1 953 . 1 1 81 81 TRP CZ3 C 13 121.461 0.06 . 1 . . . . 701 TRP CZ3 . 18599 1 954 . 1 1 81 81 TRP CH2 C 13 123.923 0.081 . 1 . . . . 701 TRP CH2 . 18599 1 955 . 1 1 81 81 TRP N N 15 117.011 0.048 . 1 . . . . 701 TRP N . 18599 1 956 . 1 1 81 81 TRP NE1 N 15 128.872 0.052 . 1 . . . . 701 TRP NE1 . 18599 1 957 . 1 1 82 82 ALA H H 1 8.515 0.004 . 1 . . . . 702 ALA H . 18599 1 958 . 1 1 82 82 ALA HA H 1 4.127 0.008 . 1 . . . . 702 ALA HA . 18599 1 959 . 1 1 82 82 ALA HB1 H 1 0.767 0.004 . 1 . . . . 702 ALA HB1 . 18599 1 960 . 1 1 82 82 ALA HB2 H 1 0.767 0.004 . 1 . . . . 702 ALA HB2 . 18599 1 961 . 1 1 82 82 ALA HB3 H 1 0.767 0.004 . 1 . . . . 702 ALA HB3 . 18599 1 962 . 1 1 82 82 ALA C C 13 178.108 . . 1 . . . . 702 ALA C . 18599 1 963 . 1 1 82 82 ALA CA C 13 50.759 0.051 . 1 . . . . 702 ALA CA . 18599 1 964 . 1 1 82 82 ALA CB C 13 20.762 0.046 . 1 . . . . 702 ALA CB . 18599 1 965 . 1 1 82 82 ALA N N 15 123.359 0.042 . 1 . . . . 702 ALA N . 18599 1 966 . 1 1 83 83 GLN H H 1 8.228 0.003 . 1 . . . . 703 GLN H . 18599 1 967 . 1 1 83 83 GLN HA H 1 4.207 0.01 . 1 . . . . 703 GLN HA . 18599 1 968 . 1 1 83 83 GLN HB2 H 1 2.086 0.006 . 2 . . . . 703 GLN HB2 . 18599 1 969 . 1 1 83 83 GLN HB3 H 1 1.949 0.009 . 2 . . . . 703 GLN HB3 . 18599 1 970 . 1 1 83 83 GLN HG2 H 1 2.248 0.004 . 1 . . . . 703 GLN HG2 . 18599 1 971 . 1 1 83 83 GLN HG3 H 1 2.248 0.004 . 1 . . . . 703 GLN HG3 . 18599 1 972 . 1 1 83 83 GLN HE21 H 1 6.862 0.004 . 1 . . . . 703 GLN HE21 . 18599 1 973 . 1 1 83 83 GLN HE22 H 1 7.280 0.007 . 1 . . . . 703 GLN HE22 . 18599 1 974 . 1 1 83 83 GLN C C 13 175.313 . . 1 . . . . 703 GLN C . 18599 1 975 . 1 1 83 83 GLN CA C 13 55.586 0.054 . 1 . . . . 703 GLN CA . 18599 1 976 . 1 1 83 83 GLN CB C 13 28.862 0.058 . 1 . . . . 703 GLN CB . 18599 1 977 . 1 1 83 83 GLN CG C 13 33.754 0.068 . 1 . . . . 703 GLN CG . 18599 1 978 . 1 1 83 83 GLN CD C 13 180.292 0.008 . 1 . . . . 703 GLN CD . 18599 1 979 . 1 1 83 83 GLN N N 15 120.473 0.026 . 1 . . . . 703 GLN N . 18599 1 980 . 1 1 83 83 GLN NE2 N 15 112.499 0.046 . 1 . . . . 703 GLN NE2 . 18599 1 981 . 1 1 84 84 LEU H H 1 8.101 0.003 . 1 . . . . 704 LEU H . 18599 1 982 . 1 1 84 84 LEU HA H 1 4.182 0.01 . 1 . . . . 704 LEU HA . 18599 1 983 . 1 1 84 84 LEU HB2 H 1 1.628 0.004 . 2 . . . . 704 LEU HB2 . 18599 1 984 . 1 1 84 84 LEU HB3 H 1 1.570 0.007 . 2 . . . . 704 LEU HB3 . 18599 1 985 . 1 1 84 84 LEU HG H 1 1.624 0.007 . 1 . . . . 704 LEU HG . 18599 1 986 . 1 1 84 84 LEU HD11 H 1 0.891 0.002 . 2 . . . . 704 LEU HD11 . 18599 1 987 . 1 1 84 84 LEU HD12 H 1 0.891 0.002 . 2 . . . . 704 LEU HD12 . 18599 1 988 . 1 1 84 84 LEU HD13 H 1 0.891 0.002 . 2 . . . . 704 LEU HD13 . 18599 1 989 . 1 1 84 84 LEU HD21 H 1 0.954 0.002 . 2 . . . . 704 LEU HD21 . 18599 1 990 . 1 1 84 84 LEU HD22 H 1 0.954 0.002 . 2 . . . . 704 LEU HD22 . 18599 1 991 . 1 1 84 84 LEU HD23 H 1 0.954 0.002 . 2 . . . . 704 LEU HD23 . 18599 1 992 . 1 1 84 84 LEU C C 13 176.523 . . 1 . . . . 704 LEU C . 18599 1 993 . 1 1 84 84 LEU CA C 13 56.362 0.051 . 1 . . . . 704 LEU CA . 18599 1 994 . 1 1 84 84 LEU CB C 13 42.304 0.041 . 1 . . . . 704 LEU CB . 18599 1 995 . 1 1 84 84 LEU CG C 13 26.958 0.037 . 1 . . . . 704 LEU CG . 18599 1 996 . 1 1 84 84 LEU CD1 C 13 24.399 0.028 . 2 . . . . 704 LEU CD1 . 18599 1 997 . 1 1 84 84 LEU CD2 C 13 24.562 0.062 . 2 . . . . 704 LEU CD2 . 18599 1 998 . 1 1 84 84 LEU N N 15 122.461 0.037 . 1 . . . . 704 LEU N . 18599 1 999 . 1 1 85 85 SER H H 1 8.083 0.002 . 1 . . . . 705 SER H . 18599 1 1000 . 1 1 85 85 SER HA H 1 4.681 0.014 . 1 . . . . 705 SER HA . 18599 1 1001 . 1 1 85 85 SER HB2 H 1 4.082 0.002 . 2 . . . . 705 SER HB2 . 18599 1 1002 . 1 1 85 85 SER HB3 H 1 3.938 0.003 . 2 . . . . 705 SER HB3 . 18599 1 1003 . 1 1 85 85 SER C C 13 173.429 . . 1 . . . . 705 SER C . 18599 1 1004 . 1 1 85 85 SER CA C 13 57.750 0.033 . 1 . . . . 705 SER CA . 18599 1 1005 . 1 1 85 85 SER CB C 13 64.828 0.074 . 1 . . . . 705 SER CB . 18599 1 1006 . 1 1 85 85 SER N N 15 118.616 0.031 . 1 . . . . 705 SER N . 18599 1 1007 . 1 1 86 86 SER H H 1 8.751 0.002 . 1 . . . . 706 SER H . 18599 1 1008 . 1 1 86 86 SER HA H 1 5.001 0.004 . 1 . . . . 706 SER HA . 18599 1 1009 . 1 1 86 86 SER HB2 H 1 3.841 0.008 . 2 . . . . 706 SER HB2 . 18599 1 1010 . 1 1 86 86 SER HB3 H 1 3.669 0.001 . 2 . . . . 706 SER HB3 . 18599 1 1011 . 1 1 86 86 SER C C 13 170.400 . . 1 . . . . 706 SER C . 18599 1 1012 . 1 1 86 86 SER CA C 13 55.635 0.023 . 1 . . . . 706 SER CA . 18599 1 1013 . 1 1 86 86 SER CB C 13 64.640 0.03 . 1 . . . . 706 SER CB . 18599 1 1014 . 1 1 86 86 SER N N 15 117.648 0.034 . 1 . . . . 706 SER N . 18599 1 1015 . 1 1 87 87 PRO HA H 1 3.157 0.005 . 1 . . . . 707 PRO HA . 18599 1 1016 . 1 1 87 87 PRO HB2 H 1 1.747 0.007 . 2 . . . . 707 PRO HB2 . 18599 1 1017 . 1 1 87 87 PRO HB3 H 1 1.980 0.001 . 2 . . . . 707 PRO HB3 . 18599 1 1018 . 1 1 87 87 PRO HG2 H 1 1.839 0.003 . 2 . . . . 707 PRO HG2 . 18599 1 1019 . 1 1 87 87 PRO HG3 H 1 2.016 0.004 . 2 . . . . 707 PRO HG3 . 18599 1 1020 . 1 1 87 87 PRO HD2 H 1 3.700 0.005 . 1 . . . . 707 PRO HD2 . 18599 1 1021 . 1 1 87 87 PRO HD3 H 1 3.700 0.005 . 1 . . . . 707 PRO HD3 . 18599 1 1022 . 1 1 87 87 PRO CA C 13 61.166 0.039 . 1 . . . . 707 PRO CA . 18599 1 1023 . 1 1 87 87 PRO CB C 13 30.634 0.061 . 1 . . . . 707 PRO CB . 18599 1 1024 . 1 1 87 87 PRO CG C 13 26.418 0.081 . 1 . . . . 707 PRO CG . 18599 1 1025 . 1 1 87 87 PRO CD C 13 50.502 0.08 . 1 . . . . 707 PRO CD . 18599 1 1026 . 1 1 88 88 PRO HA H 1 4.115 0.006 . 1 . . . . 708 PRO HA . 18599 1 1027 . 1 1 88 88 PRO HB2 H 1 2.070 0.003 . 2 . . . . 708 PRO HB2 . 18599 1 1028 . 1 1 88 88 PRO HB3 H 1 1.281 0.003 . 2 . . . . 708 PRO HB3 . 18599 1 1029 . 1 1 88 88 PRO HG2 H 1 1.716 0.005 . 2 . . . . 708 PRO HG2 . 18599 1 1030 . 1 1 88 88 PRO HG3 H 1 1.747 0.002 . 2 . . . . 708 PRO HG3 . 18599 1 1031 . 1 1 88 88 PRO HD2 H 1 3.441 0.005 . 1 . . . . 708 PRO HD2 . 18599 1 1032 . 1 1 88 88 PRO HD3 H 1 3.441 0.005 . 1 . . . . 708 PRO HD3 . 18599 1 1033 . 1 1 88 88 PRO C C 13 173.878 . . 1 . . . . 708 PRO C . 18599 1 1034 . 1 1 88 88 PRO CA C 13 61.465 0.07 . 1 . . . . 708 PRO CA . 18599 1 1035 . 1 1 88 88 PRO CB C 13 34.869 0.06 . 1 . . . . 708 PRO CB . 18599 1 1036 . 1 1 88 88 PRO CG C 13 24.842 0.034 . 1 . . . . 708 PRO CG . 18599 1 1037 . 1 1 88 88 PRO CD C 13 50.726 0.07 . 1 . . . . 708 PRO CD . 18599 1 1038 . 1 1 89 89 TYR H H 1 8.233 0.002 . 1 . . . . 709 TYR H . 18599 1 1039 . 1 1 89 89 TYR HA H 1 4.887 0.013 . 1 . . . . 709 TYR HA . 18599 1 1040 . 1 1 89 89 TYR HB2 H 1 2.885 0.012 . 2 . . . . 709 TYR HB2 . 18599 1 1041 . 1 1 89 89 TYR HB3 H 1 2.718 0.007 . 2 . . . . 709 TYR HB3 . 18599 1 1042 . 1 1 89 89 TYR HD1 H 1 7.293 0.004 . 3 . . . . 709 TYR HD1 . 18599 1 1043 . 1 1 89 89 TYR HD2 H 1 7.293 0.004 . 3 . . . . 709 TYR HD2 . 18599 1 1044 . 1 1 89 89 TYR HE1 H 1 6.681 0.006 . 3 . . . . 709 TYR HE1 . 18599 1 1045 . 1 1 89 89 TYR HE2 H 1 6.681 0.006 . 3 . . . . 709 TYR HE2 . 18599 1 1046 . 1 1 89 89 TYR C C 13 174.106 . . 1 . . . . 709 TYR C . 18599 1 1047 . 1 1 89 89 TYR CA C 13 56.245 0.018 . 1 . . . . 709 TYR CA . 18599 1 1048 . 1 1 89 89 TYR CB C 13 40.134 0.081 . 1 . . . . 709 TYR CB . 18599 1 1049 . 1 1 89 89 TYR CD1 C 13 133.478 0.041 . 3 . . . . 709 TYR CD1 . 18599 1 1050 . 1 1 89 89 TYR CD2 C 13 133.478 0.041 . 3 . . . . 709 TYR CD2 . 18599 1 1051 . 1 1 89 89 TYR CE1 C 13 117.895 0.047 . 3 . . . . 709 TYR CE1 . 18599 1 1052 . 1 1 89 89 TYR CE2 C 13 117.895 0.047 . 3 . . . . 709 TYR CE2 . 18599 1 1053 . 1 1 89 89 TYR N N 15 120.591 0.014 . 1 . . . . 709 TYR N . 18599 1 1054 . 1 1 90 90 TYR H H 1 9.176 0.003 . 1 . . . . 710 TYR H . 18599 1 1055 . 1 1 90 90 TYR HA H 1 4.747 0.014 . 1 . . . . 710 TYR HA . 18599 1 1056 . 1 1 90 90 TYR HB2 H 1 3.194 0.006 . 2 . . . . 710 TYR HB2 . 18599 1 1057 . 1 1 90 90 TYR HB3 H 1 2.678 0.006 . 2 . . . . 710 TYR HB3 . 18599 1 1058 . 1 1 90 90 TYR HD1 H 1 7.199 0.004 . 3 . . . . 710 TYR HD1 . 18599 1 1059 . 1 1 90 90 TYR HD2 H 1 7.199 0.004 . 3 . . . . 710 TYR HD2 . 18599 1 1060 . 1 1 90 90 TYR HE1 H 1 6.662 0.002 . 3 . . . . 710 TYR HE1 . 18599 1 1061 . 1 1 90 90 TYR HE2 H 1 6.662 0.002 . 3 . . . . 710 TYR HE2 . 18599 1 1062 . 1 1 90 90 TYR C C 13 175.754 . . 1 . . . . 710 TYR C . 18599 1 1063 . 1 1 90 90 TYR CA C 13 56.819 0.038 . 1 . . . . 710 TYR CA . 18599 1 1064 . 1 1 90 90 TYR CB C 13 40.754 0.11 . 1 . . . . 710 TYR CB . 18599 1 1065 . 1 1 90 90 TYR CD1 C 13 133.373 0.041 . 3 . . . . 710 TYR CD1 . 18599 1 1066 . 1 1 90 90 TYR CD2 C 13 133.373 0.041 . 3 . . . . 710 TYR CD2 . 18599 1 1067 . 1 1 90 90 TYR CE1 C 13 117.655 0.048 . 3 . . . . 710 TYR CE1 . 18599 1 1068 . 1 1 90 90 TYR CE2 C 13 117.655 0.048 . 3 . . . . 710 TYR CE2 . 18599 1 1069 . 1 1 90 90 TYR N N 15 122.895 0.027 . 1 . . . . 710 TYR N . 18599 1 1070 . 1 1 91 91 TYR H H 1 8.547 0.004 . 1 . . . . 711 TYR H . 18599 1 1071 . 1 1 91 91 TYR HA H 1 3.947 0.003 . 1 . . . . 711 TYR HA . 18599 1 1072 . 1 1 91 91 TYR HB2 H 1 2.927 0.013 . 2 . . . . 711 TYR HB2 . 18599 1 1073 . 1 1 91 91 TYR HB3 H 1 2.924 0.016 . 2 . . . . 711 TYR HB3 . 18599 1 1074 . 1 1 91 91 TYR HD1 H 1 6.894 0.007 . 3 . . . . 711 TYR HD1 . 18599 1 1075 . 1 1 91 91 TYR HD2 H 1 6.894 0.007 . 3 . . . . 711 TYR HD2 . 18599 1 1076 . 1 1 91 91 TYR HE1 H 1 6.378 0.007 . 3 . . . . 711 TYR HE1 . 18599 1 1077 . 1 1 91 91 TYR HE2 H 1 6.378 0.007 . 3 . . . . 711 TYR HE2 . 18599 1 1078 . 1 1 91 91 TYR C C 13 177.378 . . 1 . . . . 711 TYR C . 18599 1 1079 . 1 1 91 91 TYR CA C 13 59.075 0.06 . 1 . . . . 711 TYR CA . 18599 1 1080 . 1 1 91 91 TYR CB C 13 37.833 0.096 . 1 . . . . 711 TYR CB . 18599 1 1081 . 1 1 91 91 TYR CD1 C 13 132.260 0.065 . 3 . . . . 711 TYR CD1 . 18599 1 1082 . 1 1 91 91 TYR CD2 C 13 132.260 0.065 . 3 . . . . 711 TYR CD2 . 18599 1 1083 . 1 1 91 91 TYR CE1 C 13 117.777 0.081 . 3 . . . . 711 TYR CE1 . 18599 1 1084 . 1 1 91 91 TYR CE2 C 13 117.777 0.081 . 3 . . . . 711 TYR CE2 . 18599 1 1085 . 1 1 91 91 TYR N N 15 119.887 0.026 . 1 . . . . 711 TYR N . 18599 1 1086 . 1 1 92 92 GLY H H 1 9.256 0.005 . 1 . . . . 712 GLY H . 18599 1 1087 . 1 1 92 92 GLY HA2 H 1 4.387 0.013 . 2 . . . . 712 GLY HA2 . 18599 1 1088 . 1 1 92 92 GLY HA3 H 1 3.202 0.009 . 2 . . . . 712 GLY HA3 . 18599 1 1089 . 1 1 92 92 GLY C C 13 174.742 . . 1 . . . . 712 GLY C . 18599 1 1090 . 1 1 92 92 GLY CA C 13 44.885 0.084 . 1 . . . . 712 GLY CA . 18599 1 1091 . 1 1 92 92 GLY N N 15 116.367 0.012 . 1 . . . . 712 GLY N . 18599 1 1092 . 1 1 93 93 ASP H H 1 8.563 0.003 . 1 . . . . 713 ASP H . 18599 1 1093 . 1 1 93 93 ASP HA H 1 4.825 0.001 . 1 . . . . 713 ASP HA . 18599 1 1094 . 1 1 93 93 ASP HB2 H 1 2.930 0.005 . 2 . . . . 713 ASP HB2 . 18599 1 1095 . 1 1 93 93 ASP HB3 H 1 3.192 0.007 . 2 . . . . 713 ASP HB3 . 18599 1 1096 . 1 1 93 93 ASP C C 13 175.650 . . 1 . . . . 713 ASP C . 18599 1 1097 . 1 1 93 93 ASP CA C 13 55.853 0.029 . 1 . . . . 713 ASP CA . 18599 1 1098 . 1 1 93 93 ASP CB C 13 41.248 0.069 . 1 . . . . 713 ASP CB . 18599 1 1099 . 1 1 93 93 ASP N N 15 123.453 0.031 . 1 . . . . 713 ASP N . 18599 1 1100 . 1 1 94 94 SER H H 1 8.544 0.004 . 1 . . . . 714 SER H . 18599 1 1101 . 1 1 94 94 SER HA H 1 6.069 0.005 . 1 . . . . 714 SER HA . 18599 1 1102 . 1 1 94 94 SER HB2 H 1 3.768 0.003 . 2 . . . . 714 SER HB2 . 18599 1 1103 . 1 1 94 94 SER HB3 H 1 3.725 0.014 . 2 . . . . 714 SER HB3 . 18599 1 1104 . 1 1 94 94 SER C C 13 173.562 . . 1 . . . . 714 SER C . 18599 1 1105 . 1 1 94 94 SER CA C 13 56.823 0.076 . 1 . . . . 714 SER CA . 18599 1 1106 . 1 1 94 94 SER CB C 13 67.309 0.064 . 1 . . . . 714 SER CB . 18599 1 1107 . 1 1 94 94 SER N N 15 113.541 0.013 . 1 . . . . 714 SER N . 18599 1 1108 . 1 1 95 95 VAL H H 1 8.551 0.003 . 1 . . . . 715 VAL H . 18599 1 1109 . 1 1 95 95 VAL HA H 1 4.139 0.007 . 1 . . . . 715 VAL HA . 18599 1 1110 . 1 1 95 95 VAL HB H 1 1.236 0.008 . 1 . . . . 715 VAL HB . 18599 1 1111 . 1 1 95 95 VAL HG11 H 1 0.406 0.003 . 2 . . . . 715 VAL HG11 . 18599 1 1112 . 1 1 95 95 VAL HG12 H 1 0.406 0.003 . 2 . . . . 715 VAL HG12 . 18599 1 1113 . 1 1 95 95 VAL HG13 H 1 0.406 0.003 . 2 . . . . 715 VAL HG13 . 18599 1 1114 . 1 1 95 95 VAL HG21 H 1 0.296 0.008 . 2 . . . . 715 VAL HG21 . 18599 1 1115 . 1 1 95 95 VAL HG22 H 1 0.296 0.008 . 2 . . . . 715 VAL HG22 . 18599 1 1116 . 1 1 95 95 VAL HG23 H 1 0.296 0.008 . 2 . . . . 715 VAL HG23 . 18599 1 1117 . 1 1 95 95 VAL C C 13 173.714 . . 1 . . . . 715 VAL C . 18599 1 1118 . 1 1 95 95 VAL CA C 13 61.404 0.014 . 1 . . . . 715 VAL CA . 18599 1 1119 . 1 1 95 95 VAL CB C 13 35.466 0.098 . 1 . . . . 715 VAL CB . 18599 1 1120 . 1 1 95 95 VAL CG1 C 13 21.358 0.045 . 2 . . . . 715 VAL CG1 . 18599 1 1121 . 1 1 95 95 VAL CG2 C 13 21.255 0.073 . 2 . . . . 715 VAL CG2 . 18599 1 1122 . 1 1 95 95 VAL N N 15 122.780 0.027 . 1 . . . . 715 VAL N . 18599 1 1123 . 1 1 96 96 GLU H H 1 8.164 0.006 . 1 . . . . 716 GLU H . 18599 1 1124 . 1 1 96 96 GLU HA H 1 4.749 0.008 . 1 . . . . 716 GLU HA . 18599 1 1125 . 1 1 96 96 GLU HB2 H 1 1.737 0.003 . 2 . . . . 716 GLU HB2 . 18599 1 1126 . 1 1 96 96 GLU HB3 H 1 1.737 0.003 . 2 . . . . 716 GLU HB3 . 18599 1 1127 . 1 1 96 96 GLU HG2 H 1 2.108 0.0 . 2 . . . . 716 GLU HG2 . 18599 1 1128 . 1 1 96 96 GLU HG3 H 1 2.054 0.001 . 2 . . . . 716 GLU HG3 . 18599 1 1129 . 1 1 96 96 GLU C C 13 174.882 . . 1 . . . . 716 GLU C . 18599 1 1130 . 1 1 96 96 GLU CA C 13 55.136 0.026 . 1 . . . . 716 GLU CA . 18599 1 1131 . 1 1 96 96 GLU CB C 13 32.431 0.053 . 1 . . . . 716 GLU CB . 18599 1 1132 . 1 1 96 96 GLU CG C 13 37.078 0.107 . 1 . . . . 716 GLU CG . 18599 1 1133 . 1 1 96 96 GLU N N 15 124.248 0.02 . 1 . . . . 716 GLU N . 18599 1 1134 . 1 1 97 97 PHE H H 1 8.215 0.003 . 1 . . . . 717 PHE H . 18599 1 1135 . 1 1 97 97 PHE HA H 1 4.915 0.006 . 1 . . . . 717 PHE HA . 18599 1 1136 . 1 1 97 97 PHE HB2 H 1 2.547 0.011 . 2 . . . . 717 PHE HB2 . 18599 1 1137 . 1 1 97 97 PHE HB3 H 1 2.463 0.006 . 2 . . . . 717 PHE HB3 . 18599 1 1138 . 1 1 97 97 PHE HD1 H 1 6.694 0.003 . 3 . . . . 717 PHE HD1 . 18599 1 1139 . 1 1 97 97 PHE HD2 H 1 6.694 0.003 . 3 . . . . 717 PHE HD2 . 18599 1 1140 . 1 1 97 97 PHE HE1 H 1 6.941 0.005 . 3 . . . . 717 PHE HE1 . 18599 1 1141 . 1 1 97 97 PHE HE2 H 1 6.941 0.005 . 3 . . . . 717 PHE HE2 . 18599 1 1142 . 1 1 97 97 PHE C C 13 174.648 . . 1 . . . . 717 PHE C . 18599 1 1143 . 1 1 97 97 PHE CA C 13 57.108 0.028 . 1 . . . . 717 PHE CA . 18599 1 1144 . 1 1 97 97 PHE CB C 13 43.455 0.055 . 1 . . . . 717 PHE CB . 18599 1 1145 . 1 1 97 97 PHE CD1 C 13 129.257 0.086 . 3 . . . . 717 PHE CD1 . 18599 1 1146 . 1 1 97 97 PHE CD2 C 13 129.257 0.086 . 3 . . . . 717 PHE CD2 . 18599 1 1147 . 1 1 97 97 PHE CE1 C 13 131.217 0.092 . 3 . . . . 717 PHE CE1 . 18599 1 1148 . 1 1 97 97 PHE CE2 C 13 131.217 0.092 . 3 . . . . 717 PHE CE2 . 18599 1 1149 . 1 1 97 97 PHE N N 15 119.083 0.028 . 1 . . . . 717 PHE N . 18599 1 1150 . 1 1 98 98 ASN H H 1 8.404 0.003 . 1 . . . . 718 ASN H . 18599 1 1151 . 1 1 98 98 ASN HA H 1 4.532 0.003 . 1 . . . . 718 ASN HA . 18599 1 1152 . 1 1 98 98 ASN HB2 H 1 1.861 0.005 . 2 . . . . 718 ASN HB2 . 18599 1 1153 . 1 1 98 98 ASN HB3 H 1 0.974 0.003 . 2 . . . . 718 ASN HB3 . 18599 1 1154 . 1 1 98 98 ASN C C 13 173.943 . . 1 . . . . 718 ASN C . 18599 1 1155 . 1 1 98 98 ASN CA C 13 51.522 0.055 . 1 . . . . 718 ASN CA . 18599 1 1156 . 1 1 98 98 ASN CB C 13 42.308 0.079 . 1 . . . . 718 ASN CB . 18599 1 1157 . 1 1 98 98 ASN N N 15 116.349 0.017 . 1 . . . . 718 ASN N . 18599 1 1158 . 1 1 99 99 CYS H H 1 8.420 0.002 . 1 . . . . 719 CYS H . 18599 1 1159 . 1 1 99 99 CYS HA H 1 5.173 0.002 . 1 . . . . 719 CYS HA . 18599 1 1160 . 1 1 99 99 CYS HB2 H 1 3.091 0.005 . 2 . . . . 719 CYS HB2 . 18599 1 1161 . 1 1 99 99 CYS HB3 H 1 2.627 0.004 . 2 . . . . 719 CYS HB3 . 18599 1 1162 . 1 1 99 99 CYS C C 13 175.240 . . 1 . . . . 719 CYS C . 18599 1 1163 . 1 1 99 99 CYS CA C 13 53.711 0.068 . 1 . . . . 719 CYS CA . 18599 1 1164 . 1 1 99 99 CYS CB C 13 40.035 0.073 . 1 . . . . 719 CYS CB . 18599 1 1165 . 1 1 99 99 CYS N N 15 115.112 0.015 . 1 . . . . 719 CYS N . 18599 1 1166 . 1 1 100 100 SER H H 1 9.044 0.004 . 1 . . . . 720 SER H . 18599 1 1167 . 1 1 100 100 SER HA H 1 4.617 0.001 . 1 . . . . 720 SER HA . 18599 1 1168 . 1 1 100 100 SER HB2 H 1 4.129 0.012 . 2 . . . . 720 SER HB2 . 18599 1 1169 . 1 1 100 100 SER HB3 H 1 3.804 0.002 . 2 . . . . 720 SER HB3 . 18599 1 1170 . 1 1 100 100 SER C C 13 172.820 . . 1 . . . . 720 SER C . 18599 1 1171 . 1 1 100 100 SER CA C 13 59.664 0.05 . 1 . . . . 720 SER CA . 18599 1 1172 . 1 1 100 100 SER CB C 13 64.117 0.038 . 1 . . . . 720 SER CB . 18599 1 1173 . 1 1 100 100 SER N N 15 118.907 0.029 . 1 . . . . 720 SER N . 18599 1 1174 . 1 1 101 101 GLU H H 1 8.708 0.002 . 1 . . . . 721 GLU H . 18599 1 1175 . 1 1 101 101 GLU HA H 1 4.225 0.004 . 1 . . . . 721 GLU HA . 18599 1 1176 . 1 1 101 101 GLU HB2 H 1 2.122 0.005 . 2 . . . . 721 GLU HB2 . 18599 1 1177 . 1 1 101 101 GLU HB3 H 1 2.083 0.019 . 2 . . . . 721 GLU HB3 . 18599 1 1178 . 1 1 101 101 GLU HG2 H 1 2.427 0.004 . 1 . . . . 721 GLU HG2 . 18599 1 1179 . 1 1 101 101 GLU HG3 H 1 2.427 0.004 . 1 . . . . 721 GLU HG3 . 18599 1 1180 . 1 1 101 101 GLU C C 13 177.386 . . 1 . . . . 721 GLU C . 18599 1 1181 . 1 1 101 101 GLU CA C 13 58.798 0.032 . 1 . . . . 721 GLU CA . 18599 1 1182 . 1 1 101 101 GLU CB C 13 29.796 0.071 . 1 . . . . 721 GLU CB . 18599 1 1183 . 1 1 101 101 GLU CG C 13 36.249 0.086 . 1 . . . . 721 GLU CG . 18599 1 1184 . 1 1 101 101 GLU N N 15 121.325 0.018 . 1 . . . . 721 GLU N . 18599 1 1185 . 1 1 102 102 SER H H 1 8.807 0.002 . 1 . . . . 722 SER H . 18599 1 1186 . 1 1 102 102 SER HA H 1 3.973 0.008 . 1 . . . . 722 SER HA . 18599 1 1187 . 1 1 102 102 SER HB2 H 1 4.092 0.001 . 2 . . . . 722 SER HB2 . 18599 1 1188 . 1 1 102 102 SER HB3 H 1 3.831 0.004 . 2 . . . . 722 SER HB3 . 18599 1 1189 . 1 1 102 102 SER C C 13 172.626 . . 1 . . . . 722 SER C . 18599 1 1190 . 1 1 102 102 SER CA C 13 61.025 0.059 . 1 . . . . 722 SER CA . 18599 1 1191 . 1 1 102 102 SER CB C 13 63.162 0.03 . 1 . . . . 722 SER CB . 18599 1 1192 . 1 1 102 102 SER N N 15 115.902 0.034 . 1 . . . . 722 SER N . 18599 1 1193 . 1 1 103 103 PHE H H 1 8.249 0.003 . 1 . . . . 723 PHE H . 18599 1 1194 . 1 1 103 103 PHE HA H 1 4.870 0.001 . 1 . . . . 723 PHE HA . 18599 1 1195 . 1 1 103 103 PHE HB2 H 1 3.212 0.004 . 2 . . . . 723 PHE HB2 . 18599 1 1196 . 1 1 103 103 PHE HB3 H 1 2.582 0.004 . 2 . . . . 723 PHE HB3 . 18599 1 1197 . 1 1 103 103 PHE HD1 H 1 6.751 0.004 . 3 . . . . 723 PHE HD1 . 18599 1 1198 . 1 1 103 103 PHE HD2 H 1 6.751 0.004 . 3 . . . . 723 PHE HD2 . 18599 1 1199 . 1 1 103 103 PHE HE1 H 1 6.846 0.005 . 3 . . . . 723 PHE HE1 . 18599 1 1200 . 1 1 103 103 PHE HE2 H 1 6.846 0.005 . 3 . . . . 723 PHE HE2 . 18599 1 1201 . 1 1 103 103 PHE C C 13 174.357 . . 1 . . . . 723 PHE C . 18599 1 1202 . 1 1 103 103 PHE CA C 13 57.165 0.04 . 1 . . . . 723 PHE CA . 18599 1 1203 . 1 1 103 103 PHE CB C 13 41.694 0.06 . 1 . . . . 723 PHE CB . 18599 1 1204 . 1 1 103 103 PHE CD1 C 13 131.702 0.036 . 3 . . . . 723 PHE CD1 . 18599 1 1205 . 1 1 103 103 PHE CD2 C 13 131.702 0.036 . 3 . . . . 723 PHE CD2 . 18599 1 1206 . 1 1 103 103 PHE CE1 C 13 130.541 0.056 . 3 . . . . 723 PHE CE1 . 18599 1 1207 . 1 1 103 103 PHE CE2 C 13 130.541 0.056 . 3 . . . . 723 PHE CE2 . 18599 1 1208 . 1 1 103 103 PHE N N 15 119.521 0.017 . 1 . . . . 723 PHE N . 18599 1 1209 . 1 1 104 104 THR H H 1 9.644 0.004 . 1 . . . . 724 THR H . 18599 1 1210 . 1 1 104 104 THR HA H 1 4.598 0.003 . 1 . . . . 724 THR HA . 18599 1 1211 . 1 1 104 104 THR HB H 1 3.845 0.002 . 1 . . . . 724 THR HB . 18599 1 1212 . 1 1 104 104 THR HG21 H 1 1.092 0.002 . 1 . . . . 724 THR HG21 . 18599 1 1213 . 1 1 104 104 THR HG22 H 1 1.092 0.002 . 1 . . . . 724 THR HG22 . 18599 1 1214 . 1 1 104 104 THR HG23 H 1 1.092 0.002 . 1 . . . . 724 THR HG23 . 18599 1 1215 . 1 1 104 104 THR C C 13 172.218 . . 1 . . . . 724 THR C . 18599 1 1216 . 1 1 104 104 THR CA C 13 60.792 0.052 . 1 . . . . 724 THR CA . 18599 1 1217 . 1 1 104 104 THR CB C 13 71.074 0.085 . 1 . . . . 724 THR CB . 18599 1 1218 . 1 1 104 104 THR CG2 C 13 20.440 0.023 . 1 . . . . 724 THR CG2 . 18599 1 1219 . 1 1 104 104 THR N N 15 117.589 0.017 . 1 . . . . 724 THR N . 18599 1 1220 . 1 1 105 105 MET H H 1 8.384 0.003 . 1 . . . . 725 MET H . 18599 1 1221 . 1 1 105 105 MET HA H 1 5.017 0.002 . 1 . . . . 725 MET HA . 18599 1 1222 . 1 1 105 105 MET HB2 H 1 2.048 0.001 . 2 . . . . 725 MET HB2 . 18599 1 1223 . 1 1 105 105 MET HB3 H 1 1.987 0.002 . 2 . . . . 725 MET HB3 . 18599 1 1224 . 1 1 105 105 MET HG2 H 1 2.004 0.006 . 2 . . . . 725 MET HG2 . 18599 1 1225 . 1 1 105 105 MET HG3 H 1 2.289 0.004 . 2 . . . . 725 MET HG3 . 18599 1 1226 . 1 1 105 105 MET HE1 H 1 1.785 0.002 . 1 . . . . 725 MET HE1 . 18599 1 1227 . 1 1 105 105 MET HE2 H 1 1.785 0.002 . 1 . . . . 725 MET HE2 . 18599 1 1228 . 1 1 105 105 MET HE3 H 1 1.785 0.002 . 1 . . . . 725 MET HE3 . 18599 1 1229 . 1 1 105 105 MET C C 13 176.192 . . 1 . . . . 725 MET C . 18599 1 1230 . 1 1 105 105 MET CA C 13 56.297 0.04 . 1 . . . . 725 MET CA . 18599 1 1231 . 1 1 105 105 MET CB C 13 34.906 0.062 . 1 . . . . 725 MET CB . 18599 1 1232 . 1 1 105 105 MET CG C 13 32.525 0.051 . 1 . . . . 725 MET CG . 18599 1 1233 . 1 1 105 105 MET CE C 13 16.944 0.026 . 1 . . . . 725 MET CE . 18599 1 1234 . 1 1 105 105 MET N N 15 126.921 0.02 . 1 . . . . 725 MET N . 18599 1 1235 . 1 1 106 106 ILE H H 1 9.364 0.003 . 1 . . . . 726 ILE H . 18599 1 1236 . 1 1 106 106 ILE HA H 1 4.334 0.003 . 1 . . . . 726 ILE HA . 18599 1 1237 . 1 1 106 106 ILE HB H 1 1.817 0.006 . 1 . . . . 726 ILE HB . 18599 1 1238 . 1 1 106 106 ILE HG12 H 1 1.427 0.002 . 2 . . . . 726 ILE HG12 . 18599 1 1239 . 1 1 106 106 ILE HG13 H 1 1.194 0.013 . 2 . . . . 726 ILE HG13 . 18599 1 1240 . 1 1 106 106 ILE HG21 H 1 0.849 0.003 . 1 . . . . 726 ILE HG21 . 18599 1 1241 . 1 1 106 106 ILE HG22 H 1 0.849 0.003 . 1 . . . . 726 ILE HG22 . 18599 1 1242 . 1 1 106 106 ILE HG23 H 1 0.849 0.003 . 1 . . . . 726 ILE HG23 . 18599 1 1243 . 1 1 106 106 ILE HD11 H 1 0.752 0.002 . 1 . . . . 726 ILE HD11 . 18599 1 1244 . 1 1 106 106 ILE HD12 H 1 0.752 0.002 . 1 . . . . 726 ILE HD12 . 18599 1 1245 . 1 1 106 106 ILE HD13 H 1 0.752 0.002 . 1 . . . . 726 ILE HD13 . 18599 1 1246 . 1 1 106 106 ILE C C 13 175.981 . . 1 . . . . 726 ILE C . 18599 1 1247 . 1 1 106 106 ILE CA C 13 60.379 0.054 . 1 . . . . 726 ILE CA . 18599 1 1248 . 1 1 106 106 ILE CB C 13 38.730 0.093 . 1 . . . . 726 ILE CB . 18599 1 1249 . 1 1 106 106 ILE CG1 C 13 26.502 0.056 . 1 . . . . 726 ILE CG1 . 18599 1 1250 . 1 1 106 106 ILE CG2 C 13 17.160 0.036 . 1 . . . . 726 ILE CG2 . 18599 1 1251 . 1 1 106 106 ILE CD1 C 13 11.950 0.05 . 1 . . . . 726 ILE CD1 . 18599 1 1252 . 1 1 106 106 ILE N N 15 129.338 0.027 . 1 . . . . 726 ILE N . 18599 1 1253 . 1 1 107 107 GLY H H 1 8.537 0.003 . 1 . . . . 727 GLY H . 18599 1 1254 . 1 1 107 107 GLY HA2 H 1 4.480 0.002 . 2 . . . . 727 GLY HA2 . 18599 1 1255 . 1 1 107 107 GLY HA3 H 1 3.647 0.002 . 2 . . . . 727 GLY HA3 . 18599 1 1256 . 1 1 107 107 GLY C C 13 172.618 . . 1 . . . . 727 GLY C . 18599 1 1257 . 1 1 107 107 GLY CA C 13 43.024 0.068 . 1 . . . . 727 GLY CA . 18599 1 1258 . 1 1 107 107 GLY N N 15 115.484 0.044 . 1 . . . . 727 GLY N . 18599 1 1259 . 1 1 108 108 HIS H H 1 7.983 0.001 . 1 . . . . 728 HIS H . 18599 1 1260 . 1 1 108 108 HIS HA H 1 4.504 0.004 . 1 . . . . 728 HIS HA . 18599 1 1261 . 1 1 108 108 HIS HB2 H 1 3.216 0.004 . 2 . . . . 728 HIS HB2 . 18599 1 1262 . 1 1 108 108 HIS HB3 H 1 3.082 0.003 . 2 . . . . 728 HIS HB3 . 18599 1 1263 . 1 1 108 108 HIS HD2 H 1 7.277 0.005 . 1 . . . . 728 HIS HD2 . 18599 1 1264 . 1 1 108 108 HIS C C 13 176.260 . . 1 . . . . 728 HIS C . 18599 1 1265 . 1 1 108 108 HIS CA C 13 56.851 0.075 . 1 . . . . 728 HIS CA . 18599 1 1266 . 1 1 108 108 HIS CB C 13 31.085 0.077 . 1 . . . . 728 HIS CB . 18599 1 1267 . 1 1 108 108 HIS CD2 C 13 119.722 0.061 . 1 . . . . 728 HIS CD2 . 18599 1 1268 . 1 1 108 108 HIS N N 15 118.982 0.021 . 1 . . . . 728 HIS N . 18599 1 1269 . 1 1 109 109 ARG H H 1 7.807 0.002 . 1 . . . . 729 ARG H . 18599 1 1270 . 1 1 109 109 ARG HA H 1 4.298 0.004 . 1 . . . . 729 ARG HA . 18599 1 1271 . 1 1 109 109 ARG HB2 H 1 2.166 0.004 . 2 . . . . 729 ARG HB2 . 18599 1 1272 . 1 1 109 109 ARG HB3 H 1 1.760 0.004 . 2 . . . . 729 ARG HB3 . 18599 1 1273 . 1 1 109 109 ARG HG2 H 1 1.569 0.002 . 2 . . . . 729 ARG HG2 . 18599 1 1274 . 1 1 109 109 ARG HG3 H 1 1.479 0.003 . 2 . . . . 729 ARG HG3 . 18599 1 1275 . 1 1 109 109 ARG HD2 H 1 3.222 0.002 . 2 . . . . 729 ARG HD2 . 18599 1 1276 . 1 1 109 109 ARG HD3 H 1 3.164 0.007 . 2 . . . . 729 ARG HD3 . 18599 1 1277 . 1 1 109 109 ARG C C 13 174.085 . . 1 . . . . 729 ARG C . 18599 1 1278 . 1 1 109 109 ARG CA C 13 57.788 0.075 . 1 . . . . 729 ARG CA . 18599 1 1279 . 1 1 109 109 ARG CB C 13 30.912 0.091 . 1 . . . . 729 ARG CB . 18599 1 1280 . 1 1 109 109 ARG CG C 13 26.758 0.051 . 1 . . . . 729 ARG CG . 18599 1 1281 . 1 1 109 109 ARG CD C 13 43.670 0.056 . 1 . . . . 729 ARG CD . 18599 1 1282 . 1 1 109 109 ARG N N 15 119.822 0.013 . 1 . . . . 729 ARG N . 18599 1 1283 . 1 1 110 110 SER H H 1 7.120 0.002 . 1 . . . . 730 SER H . 18599 1 1284 . 1 1 110 110 SER HA H 1 5.751 0.002 . 1 . . . . 730 SER HA . 18599 1 1285 . 1 1 110 110 SER HB2 H 1 3.672 0.0 . 2 . . . . 730 SER HB2 . 18599 1 1286 . 1 1 110 110 SER HB3 H 1 3.609 0.013 . 2 . . . . 730 SER HB3 . 18599 1 1287 . 1 1 110 110 SER C C 13 174.367 . . 1 . . . . 730 SER C . 18599 1 1288 . 1 1 110 110 SER CA C 13 55.723 0.047 . 1 . . . . 730 SER CA . 18599 1 1289 . 1 1 110 110 SER CB C 13 66.375 0.067 . 1 . . . . 730 SER CB . 18599 1 1290 . 1 1 110 110 SER N N 15 111.652 0.016 . 1 . . . . 730 SER N . 18599 1 1291 . 1 1 111 111 ILE H H 1 8.746 0.004 . 1 . . . . 731 ILE H . 18599 1 1292 . 1 1 111 111 ILE HA H 1 4.561 0.003 . 1 . . . . 731 ILE HA . 18599 1 1293 . 1 1 111 111 ILE HB H 1 2.017 0.003 . 1 . . . . 731 ILE HB . 18599 1 1294 . 1 1 111 111 ILE HG12 H 1 1.389 0.012 . 2 . . . . 731 ILE HG12 . 18599 1 1295 . 1 1 111 111 ILE HG13 H 1 1.061 0.005 . 2 . . . . 731 ILE HG13 . 18599 1 1296 . 1 1 111 111 ILE HG21 H 1 0.728 0.007 . 1 . . . . 731 ILE HG21 . 18599 1 1297 . 1 1 111 111 ILE HG22 H 1 0.728 0.007 . 1 . . . . 731 ILE HG22 . 18599 1 1298 . 1 1 111 111 ILE HG23 H 1 0.728 0.007 . 1 . . . . 731 ILE HG23 . 18599 1 1299 . 1 1 111 111 ILE HD11 H 1 0.043 0.004 . 1 . . . . 731 ILE HD11 . 18599 1 1300 . 1 1 111 111 ILE HD12 H 1 0.043 0.004 . 1 . . . . 731 ILE HD12 . 18599 1 1301 . 1 1 111 111 ILE HD13 H 1 0.043 0.004 . 1 . . . . 731 ILE HD13 . 18599 1 1302 . 1 1 111 111 ILE C C 13 174.713 . . 1 . . . . 731 ILE C . 18599 1 1303 . 1 1 111 111 ILE CA C 13 59.692 0.062 . 1 . . . . 731 ILE CA . 18599 1 1304 . 1 1 111 111 ILE CB C 13 40.489 0.035 . 1 . . . . 731 ILE CB . 18599 1 1305 . 1 1 111 111 ILE CG1 C 13 25.400 0.062 . 1 . . . . 731 ILE CG1 . 18599 1 1306 . 1 1 111 111 ILE CG2 C 13 18.005 0.029 . 1 . . . . 731 ILE CG2 . 18599 1 1307 . 1 1 111 111 ILE CD1 C 13 13.430 0.047 . 1 . . . . 731 ILE CD1 . 18599 1 1308 . 1 1 111 111 ILE N N 15 114.999 0.013 . 1 . . . . 731 ILE N . 18599 1 1309 . 1 1 112 112 THR H H 1 8.929 0.004 . 1 . . . . 732 THR H . 18599 1 1310 . 1 1 112 112 THR HA H 1 5.421 0.003 . 1 . . . . 732 THR HA . 18599 1 1311 . 1 1 112 112 THR HB H 1 3.646 0.005 . 1 . . . . 732 THR HB . 18599 1 1312 . 1 1 112 112 THR HG21 H 1 1.021 0.004 . 1 . . . . 732 THR HG21 . 18599 1 1313 . 1 1 112 112 THR HG22 H 1 1.021 0.004 . 1 . . . . 732 THR HG22 . 18599 1 1314 . 1 1 112 112 THR HG23 H 1 1.021 0.004 . 1 . . . . 732 THR HG23 . 18599 1 1315 . 1 1 112 112 THR C C 13 172.837 . . 1 . . . . 732 THR C . 18599 1 1316 . 1 1 112 112 THR CA C 13 61.318 0.077 . 1 . . . . 732 THR CA . 18599 1 1317 . 1 1 112 112 THR CB C 13 71.584 0.041 . 1 . . . . 732 THR CB . 18599 1 1318 . 1 1 112 112 THR CG2 C 13 21.755 0.054 . 1 . . . . 732 THR CG2 . 18599 1 1319 . 1 1 112 112 THR N N 15 117.209 0.031 . 1 . . . . 732 THR N . 18599 1 1320 . 1 1 113 113 CYS H H 1 8.559 0.003 . 1 . . . . 733 CYS H . 18599 1 1321 . 1 1 113 113 CYS HA H 1 3.871 0.004 . 1 . . . . 733 CYS HA . 18599 1 1322 . 1 1 113 113 CYS HB2 H 1 2.714 0.008 . 2 . . . . 733 CYS HB2 . 18599 1 1323 . 1 1 113 113 CYS HB3 H 1 1.420 0.004 . 2 . . . . 733 CYS HB3 . 18599 1 1324 . 1 1 113 113 CYS C C 13 172.561 . . 1 . . . . 733 CYS C . 18599 1 1325 . 1 1 113 113 CYS CA C 13 54.479 0.054 . 1 . . . . 733 CYS CA . 18599 1 1326 . 1 1 113 113 CYS CB C 13 38.123 0.068 . 1 . . . . 733 CYS CB . 18599 1 1327 . 1 1 113 113 CYS N N 15 126.472 0.029 . 1 . . . . 733 CYS N . 18599 1 1328 . 1 1 114 114 ILE H H 1 8.355 0.004 . 1 . . . . 734 ILE H . 18599 1 1329 . 1 1 114 114 ILE HA H 1 3.817 0.004 . 1 . . . . 734 ILE HA . 18599 1 1330 . 1 1 114 114 ILE HB H 1 1.782 0.007 . 1 . . . . 734 ILE HB . 18599 1 1331 . 1 1 114 114 ILE HG12 H 1 1.177 0.002 . 2 . . . . 734 ILE HG12 . 18599 1 1332 . 1 1 114 114 ILE HG13 H 1 0.821 0.006 . 2 . . . . 734 ILE HG13 . 18599 1 1333 . 1 1 114 114 ILE HG21 H 1 0.695 0.003 . 1 . . . . 734 ILE HG21 . 18599 1 1334 . 1 1 114 114 ILE HG22 H 1 0.695 0.003 . 1 . . . . 734 ILE HG22 . 18599 1 1335 . 1 1 114 114 ILE HG23 H 1 0.695 0.003 . 1 . . . . 734 ILE HG23 . 18599 1 1336 . 1 1 114 114 ILE HD11 H 1 0.507 0.003 . 1 . . . . 734 ILE HD11 . 18599 1 1337 . 1 1 114 114 ILE HD12 H 1 0.507 0.003 . 1 . . . . 734 ILE HD12 . 18599 1 1338 . 1 1 114 114 ILE HD13 H 1 0.507 0.003 . 1 . . . . 734 ILE HD13 . 18599 1 1339 . 1 1 114 114 ILE C C 13 175.238 . . 1 . . . . 734 ILE C . 18599 1 1340 . 1 1 114 114 ILE CA C 13 59.248 0.072 . 1 . . . . 734 ILE CA . 18599 1 1341 . 1 1 114 114 ILE CB C 13 38.444 0.067 . 1 . . . . 734 ILE CB . 18599 1 1342 . 1 1 114 114 ILE CG1 C 13 25.966 0.035 . 1 . . . . 734 ILE CG1 . 18599 1 1343 . 1 1 114 114 ILE CG2 C 13 17.247 0.058 . 1 . . . . 734 ILE CG2 . 18599 1 1344 . 1 1 114 114 ILE CD1 C 13 11.109 0.058 . 1 . . . . 734 ILE CD1 . 18599 1 1345 . 1 1 114 114 ILE N N 15 129.622 0.017 . 1 . . . . 734 ILE N . 18599 1 1346 . 1 1 115 115 HIS H H 1 7.225 0.007 . 1 . . . . 735 HIS H . 18599 1 1347 . 1 1 115 115 HIS HA H 1 4.054 0.004 . 1 . . . . 735 HIS HA . 18599 1 1348 . 1 1 115 115 HIS HB2 H 1 3.311 0.001 . 2 . . . . 735 HIS HB2 . 18599 1 1349 . 1 1 115 115 HIS HB3 H 1 3.104 0.006 . 2 . . . . 735 HIS HB3 . 18599 1 1350 . 1 1 115 115 HIS HD2 H 1 7.071 0.007 . 1 . . . . 735 HIS HD2 . 18599 1 1351 . 1 1 115 115 HIS HE1 H 1 7.870 . . 1 . . . . 735 HIS HE1 . 18599 1 1352 . 1 1 115 115 HIS C C 13 175.255 . . 1 . . . . 735 HIS C . 18599 1 1353 . 1 1 115 115 HIS CA C 13 57.081 0.075 . 1 . . . . 735 HIS CA . 18599 1 1354 . 1 1 115 115 HIS CB C 13 27.910 0.127 . 1 . . . . 735 HIS CB . 18599 1 1355 . 1 1 115 115 HIS CD2 C 13 120.344 0.095 . 1 . . . . 735 HIS CD2 . 18599 1 1356 . 1 1 115 115 HIS CE1 C 13 137.894 . . 1 . . . . 735 HIS CE1 . 18599 1 1357 . 1 1 115 115 HIS N N 15 124.151 0.032 . 1 . . . . 735 HIS N . 18599 1 1358 . 1 1 116 116 GLY H H 1 7.732 0.004 . 1 . . . . 736 GLY H . 18599 1 1359 . 1 1 116 116 GLY HA2 H 1 4.028 0.01 . 2 . . . . 736 GLY HA2 . 18599 1 1360 . 1 1 116 116 GLY HA3 H 1 3.432 0.009 . 2 . . . . 736 GLY HA3 . 18599 1 1361 . 1 1 116 116 GLY C C 13 173.416 . . 1 . . . . 736 GLY C . 18599 1 1362 . 1 1 116 116 GLY CA C 13 46.008 0.076 . 1 . . . . 736 GLY CA . 18599 1 1363 . 1 1 116 116 GLY N N 15 102.716 0.027 . 1 . . . . 736 GLY N . 18599 1 1364 . 1 1 117 117 VAL H H 1 7.383 0.002 . 1 . . . . 737 VAL H . 18599 1 1365 . 1 1 117 117 VAL HA H 1 4.200 0.006 . 1 . . . . 737 VAL HA . 18599 1 1366 . 1 1 117 117 VAL HB H 1 1.994 0.004 . 1 . . . . 737 VAL HB . 18599 1 1367 . 1 1 117 117 VAL HG11 H 1 0.980 0.001 . 2 . . . . 737 VAL HG11 . 18599 1 1368 . 1 1 117 117 VAL HG12 H 1 0.980 0.001 . 2 . . . . 737 VAL HG12 . 18599 1 1369 . 1 1 117 117 VAL HG13 H 1 0.980 0.001 . 2 . . . . 737 VAL HG13 . 18599 1 1370 . 1 1 117 117 VAL HG21 H 1 0.850 0.002 . 2 . . . . 737 VAL HG21 . 18599 1 1371 . 1 1 117 117 VAL HG22 H 1 0.850 0.002 . 2 . . . . 737 VAL HG22 . 18599 1 1372 . 1 1 117 117 VAL HG23 H 1 0.850 0.002 . 2 . . . . 737 VAL HG23 . 18599 1 1373 . 1 1 117 117 VAL C C 13 174.871 . . 1 . . . . 737 VAL C . 18599 1 1374 . 1 1 117 117 VAL CA C 13 60.239 0.032 . 1 . . . . 737 VAL CA . 18599 1 1375 . 1 1 117 117 VAL CB C 13 35.148 0.096 . 1 . . . . 737 VAL CB . 18599 1 1376 . 1 1 117 117 VAL CG1 C 13 21.358 0.044 . 2 . . . . 737 VAL CG1 . 18599 1 1377 . 1 1 117 117 VAL CG2 C 13 20.744 0.069 . 2 . . . . 737 VAL CG2 . 18599 1 1378 . 1 1 117 117 VAL N N 15 121.162 0.026 . 1 . . . . 737 VAL N . 18599 1 1379 . 1 1 118 118 TRP H H 1 8.215 0.003 . 1 . . . . 738 TRP H . 18599 1 1380 . 1 1 118 118 TRP HA H 1 5.116 0.005 . 1 . . . . 738 TRP HA . 18599 1 1381 . 1 1 118 118 TRP HB2 H 1 3.306 0.008 . 2 . . . . 738 TRP HB2 . 18599 1 1382 . 1 1 118 118 TRP HB3 H 1 2.987 0.005 . 2 . . . . 738 TRP HB3 . 18599 1 1383 . 1 1 118 118 TRP HD1 H 1 7.175 0.004 . 1 . . . . 738 TRP HD1 . 18599 1 1384 . 1 1 118 118 TRP HE1 H 1 9.206 0.004 . 1 . . . . 738 TRP HE1 . 18599 1 1385 . 1 1 118 118 TRP HE3 H 1 6.986 0.003 . 1 . . . . 738 TRP HE3 . 18599 1 1386 . 1 1 118 118 TRP HZ2 H 1 6.671 0.002 . 1 . . . . 738 TRP HZ2 . 18599 1 1387 . 1 1 118 118 TRP HZ3 H 1 6.742 0.004 . 1 . . . . 738 TRP HZ3 . 18599 1 1388 . 1 1 118 118 TRP HH2 H 1 6.256 0.003 . 1 . . . . 738 TRP HH2 . 18599 1 1389 . 1 1 118 118 TRP C C 13 178.644 . . 1 . . . . 738 TRP C . 18599 1 1390 . 1 1 118 118 TRP CA C 13 56.831 0.06 . 1 . . . . 738 TRP CA . 18599 1 1391 . 1 1 118 118 TRP CB C 13 31.080 0.064 . 1 . . . . 738 TRP CB . 18599 1 1392 . 1 1 118 118 TRP CD1 C 13 126.549 0.085 . 1 . . . . 738 TRP CD1 . 18599 1 1393 . 1 1 118 118 TRP CE3 C 13 119.981 0.097 . 1 . . . . 738 TRP CE3 . 18599 1 1394 . 1 1 118 118 TRP CZ2 C 13 114.632 0.049 . 1 . . . . 738 TRP CZ2 . 18599 1 1395 . 1 1 118 118 TRP CZ3 C 13 121.964 0.05 . 1 . . . . 738 TRP CZ3 . 18599 1 1396 . 1 1 118 118 TRP CH2 C 13 123.194 0.077 . 1 . . . . 738 TRP CH2 . 18599 1 1397 . 1 1 118 118 TRP N N 15 126.911 0.017 . 1 . . . . 738 TRP N . 18599 1 1398 . 1 1 118 118 TRP NE1 N 15 127.727 0.034 . 1 . . . . 738 TRP NE1 . 18599 1 1399 . 1 1 119 119 THR H H 1 8.477 0.002 . 1 . . . . 739 THR H . 18599 1 1400 . 1 1 119 119 THR HA H 1 4.319 0.009 . 1 . . . . 739 THR HA . 18599 1 1401 . 1 1 119 119 THR HB H 1 4.770 0.003 . 1 . . . . 739 THR HB . 18599 1 1402 . 1 1 119 119 THR HG21 H 1 1.470 0.009 . 1 . . . . 739 THR HG21 . 18599 1 1403 . 1 1 119 119 THR HG22 H 1 1.470 0.009 . 1 . . . . 739 THR HG22 . 18599 1 1404 . 1 1 119 119 THR HG23 H 1 1.470 0.009 . 1 . . . . 739 THR HG23 . 18599 1 1405 . 1 1 119 119 THR C C 13 172.797 . . 1 . . . . 739 THR C . 18599 1 1406 . 1 1 119 119 THR CA C 13 62.847 0.042 . 1 . . . . 739 THR CA . 18599 1 1407 . 1 1 119 119 THR CB C 13 69.900 0.053 . 1 . . . . 739 THR CB . 18599 1 1408 . 1 1 119 119 THR CG2 C 13 22.536 0.047 . 1 . . . . 739 THR CG2 . 18599 1 1409 . 1 1 119 119 THR N N 15 112.442 0.025 . 1 . . . . 739 THR N . 18599 1 1410 . 1 1 120 120 GLN H H 1 7.887 0.002 . 1 . . . . 740 GLN H . 18599 1 1411 . 1 1 120 120 GLN HA H 1 3.996 0.003 . 1 . . . . 740 GLN HA . 18599 1 1412 . 1 1 120 120 GLN HB2 H 1 2.096 0.004 . 2 . . . . 740 GLN HB2 . 18599 1 1413 . 1 1 120 120 GLN HB3 H 1 1.954 0.003 . 2 . . . . 740 GLN HB3 . 18599 1 1414 . 1 1 120 120 GLN HG2 H 1 2.490 0.004 . 2 . . . . 740 GLN HG2 . 18599 1 1415 . 1 1 120 120 GLN HG3 H 1 2.393 0.004 . 2 . . . . 740 GLN HG3 . 18599 1 1416 . 1 1 120 120 GLN HE21 H 1 6.867 0.007 . 1 . . . . 740 GLN HE21 . 18599 1 1417 . 1 1 120 120 GLN HE22 H 1 7.753 0.002 . 1 . . . . 740 GLN HE22 . 18599 1 1418 . 1 1 120 120 GLN C C 13 176.499 . . 1 . . . . 740 GLN C . 18599 1 1419 . 1 1 120 120 GLN CA C 13 56.979 0.031 . 1 . . . . 740 GLN CA . 18599 1 1420 . 1 1 120 120 GLN CB C 13 29.898 0.055 . 1 . . . . 740 GLN CB . 18599 1 1421 . 1 1 120 120 GLN CG C 13 33.264 0.056 . 1 . . . . 740 GLN CG . 18599 1 1422 . 1 1 120 120 GLN CD C 13 180.860 0.013 . 1 . . . . 740 GLN CD . 18599 1 1423 . 1 1 120 120 GLN N N 15 114.731 0.015 . 1 . . . . 740 GLN N . 18599 1 1424 . 1 1 120 120 GLN NE2 N 15 113.496 0.019 . 1 . . . . 740 GLN NE2 . 18599 1 1425 . 1 1 121 121 LEU H H 1 8.378 0.003 . 1 . . . . 741 LEU H . 18599 1 1426 . 1 1 121 121 LEU HA H 1 3.906 0.003 . 1 . . . . 741 LEU HA . 18599 1 1427 . 1 1 121 121 LEU HB2 H 1 1.514 0.007 . 2 . . . . 741 LEU HB2 . 18599 1 1428 . 1 1 121 121 LEU HB3 H 1 1.396 0.004 . 2 . . . . 741 LEU HB3 . 18599 1 1429 . 1 1 121 121 LEU HG H 1 1.474 0.006 . 1 . . . . 741 LEU HG . 18599 1 1430 . 1 1 121 121 LEU HD11 H 1 0.561 0.003 . 2 . . . . 741 LEU HD11 . 18599 1 1431 . 1 1 121 121 LEU HD12 H 1 0.561 0.003 . 2 . . . . 741 LEU HD12 . 18599 1 1432 . 1 1 121 121 LEU HD13 H 1 0.561 0.003 . 2 . . . . 741 LEU HD13 . 18599 1 1433 . 1 1 121 121 LEU HD21 H 1 0.290 0.002 . 2 . . . . 741 LEU HD21 . 18599 1 1434 . 1 1 121 121 LEU HD22 H 1 0.290 0.002 . 2 . . . . 741 LEU HD22 . 18599 1 1435 . 1 1 121 121 LEU HD23 H 1 0.290 0.002 . 2 . . . . 741 LEU HD23 . 18599 1 1436 . 1 1 121 121 LEU C C 13 175.745 . . 1 . . . . 741 LEU C . 18599 1 1437 . 1 1 121 121 LEU CA C 13 54.400 0.056 . 1 . . . . 741 LEU CA . 18599 1 1438 . 1 1 121 121 LEU CB C 13 42.863 0.071 . 1 . . . . 741 LEU CB . 18599 1 1439 . 1 1 121 121 LEU CG C 13 27.711 0.007 . 1 . . . . 741 LEU CG . 18599 1 1440 . 1 1 121 121 LEU CD1 C 13 25.611 0.045 . 2 . . . . 741 LEU CD1 . 18599 1 1441 . 1 1 121 121 LEU CD2 C 13 25.536 0.04 . 2 . . . . 741 LEU CD2 . 18599 1 1442 . 1 1 121 121 LEU N N 15 128.563 0.023 . 1 . . . . 741 LEU N . 18599 1 1443 . 1 1 122 122 PRO HA H 1 4.618 0.003 . 1 . . . . 742 PRO HA . 18599 1 1444 . 1 1 122 122 PRO HB2 H 1 1.553 0.005 . 2 . . . . 742 PRO HB2 . 18599 1 1445 . 1 1 122 122 PRO HB3 H 1 2.132 0.006 . 2 . . . . 742 PRO HB3 . 18599 1 1446 . 1 1 122 122 PRO HG2 H 1 1.165 0.002 . 2 . . . . 742 PRO HG2 . 18599 1 1447 . 1 1 122 122 PRO HG3 H 1 1.831 0.011 . 2 . . . . 742 PRO HG3 . 18599 1 1448 . 1 1 122 122 PRO HD2 H 1 3.259 0.004 . 2 . . . . 742 PRO HD2 . 18599 1 1449 . 1 1 122 122 PRO HD3 H 1 2.818 0.008 . 2 . . . . 742 PRO HD3 . 18599 1 1450 . 1 1 122 122 PRO C C 13 173.090 . . 1 . . . . 742 PRO C . 18599 1 1451 . 1 1 122 122 PRO CA C 13 62.386 0.03 . 1 . . . . 742 PRO CA . 18599 1 1452 . 1 1 122 122 PRO CB C 13 32.671 0.078 . 1 . . . . 742 PRO CB . 18599 1 1453 . 1 1 122 122 PRO CG C 13 26.241 0.106 . 1 . . . . 742 PRO CG . 18599 1 1454 . 1 1 122 122 PRO CD C 13 48.728 0.056 . 1 . . . . 742 PRO CD . 18599 1 1455 . 1 1 123 123 GLN H H 1 8.194 0.004 . 1 . . . . 743 GLN H . 18599 1 1456 . 1 1 123 123 GLN HA H 1 4.497 0.004 . 1 . . . . 743 GLN HA . 18599 1 1457 . 1 1 123 123 GLN HB2 H 1 1.901 0.007 . 2 . . . . 743 GLN HB2 . 18599 1 1458 . 1 1 123 123 GLN HB3 H 1 1.757 0.004 . 2 . . . . 743 GLN HB3 . 18599 1 1459 . 1 1 123 123 GLN HG2 H 1 2.220 0.011 . 2 . . . . 743 GLN HG2 . 18599 1 1460 . 1 1 123 123 GLN HG3 H 1 2.213 0.011 . 2 . . . . 743 GLN HG3 . 18599 1 1461 . 1 1 123 123 GLN C C 13 174.634 . . 1 . . . . 743 GLN C . 18599 1 1462 . 1 1 123 123 GLN CA C 13 54.523 0.02 . 1 . . . . 743 GLN CA . 18599 1 1463 . 1 1 123 123 GLN CB C 13 33.213 0.042 . 1 . . . . 743 GLN CB . 18599 1 1464 . 1 1 123 123 GLN CG C 13 33.726 0.079 . 1 . . . . 743 GLN CG . 18599 1 1465 . 1 1 123 123 GLN N N 15 112.895 0.016 . 1 . . . . 743 GLN N . 18599 1 1466 . 1 1 124 124 CYS H H 1 9.066 0.003 . 1 . . . . 744 CYS H . 18599 1 1467 . 1 1 124 124 CYS HA H 1 5.372 0.005 . 1 . . . . 744 CYS HA . 18599 1 1468 . 1 1 124 124 CYS HB2 H 1 2.921 0.006 . 2 . . . . 744 CYS HB2 . 18599 1 1469 . 1 1 124 124 CYS HB3 H 1 2.625 0.01 . 2 . . . . 744 CYS HB3 . 18599 1 1470 . 1 1 124 124 CYS C C 13 174.191 . . 1 . . . . 744 CYS C . 18599 1 1471 . 1 1 124 124 CYS CA C 13 53.982 0.109 . 1 . . . . 744 CYS CA . 18599 1 1472 . 1 1 124 124 CYS CB C 13 41.438 0.064 . 1 . . . . 744 CYS CB . 18599 1 1473 . 1 1 124 124 CYS N N 15 122.305 0.023 . 1 . . . . 744 CYS N . 18599 1 1474 . 1 1 125 125 VAL H H 1 9.362 0.002 . 1 . . . . 745 VAL H . 18599 1 1475 . 1 1 125 125 VAL HA H 1 4.717 0.001 . 1 . . . . 745 VAL HA . 18599 1 1476 . 1 1 125 125 VAL HB H 1 2.101 0.003 . 1 . . . . 745 VAL HB . 18599 1 1477 . 1 1 125 125 VAL HG11 H 1 0.859 0.003 . 2 . . . . 745 VAL HG11 . 18599 1 1478 . 1 1 125 125 VAL HG12 H 1 0.859 0.003 . 2 . . . . 745 VAL HG12 . 18599 1 1479 . 1 1 125 125 VAL HG13 H 1 0.859 0.003 . 2 . . . . 745 VAL HG13 . 18599 1 1480 . 1 1 125 125 VAL HG21 H 1 0.906 0.012 . 2 . . . . 745 VAL HG21 . 18599 1 1481 . 1 1 125 125 VAL HG22 H 1 0.906 0.012 . 2 . . . . 745 VAL HG22 . 18599 1 1482 . 1 1 125 125 VAL HG23 H 1 0.906 0.012 . 2 . . . . 745 VAL HG23 . 18599 1 1483 . 1 1 125 125 VAL C C 13 175.055 . . 1 . . . . 745 VAL C . 18599 1 1484 . 1 1 125 125 VAL CA C 13 60.080 0.052 . 1 . . . . 745 VAL CA . 18599 1 1485 . 1 1 125 125 VAL CB C 13 35.081 0.085 . 1 . . . . 745 VAL CB . 18599 1 1486 . 1 1 125 125 VAL CG1 C 13 20.064 0.111 . 2 . . . . 745 VAL CG1 . 18599 1 1487 . 1 1 125 125 VAL CG2 C 13 21.409 0.094 . 2 . . . . 745 VAL CG2 . 18599 1 1488 . 1 1 125 125 VAL N N 15 120.528 0.028 . 1 . . . . 745 VAL N . 18599 1 1489 . 1 1 126 126 ALA H H 1 8.741 0.002 . 1 . . . . 746 ALA H . 18599 1 1490 . 1 1 126 126 ALA HA H 1 3.839 0.002 . 1 . . . . 746 ALA HA . 18599 1 1491 . 1 1 126 126 ALA HB1 H 1 1.062 0.003 . 1 . . . . 746 ALA HB1 . 18599 1 1492 . 1 1 126 126 ALA HB2 H 1 1.062 0.003 . 1 . . . . 746 ALA HB2 . 18599 1 1493 . 1 1 126 126 ALA HB3 H 1 1.062 0.003 . 1 . . . . 746 ALA HB3 . 18599 1 1494 . 1 1 126 126 ALA C C 13 177.075 . . 1 . . . . 746 ALA C . 18599 1 1495 . 1 1 126 126 ALA CA C 13 52.721 0.061 . 1 . . . . 746 ALA CA . 18599 1 1496 . 1 1 126 126 ALA CB C 13 18.406 0.077 . 1 . . . . 746 ALA CB . 18599 1 1497 . 1 1 126 126 ALA N N 15 128.652 0.02 . 1 . . . . 746 ALA N . 18599 1 1498 . 1 1 127 127 ILE H H 1 7.446 0.002 . 1 . . . . 747 ILE H . 18599 1 1499 . 1 1 127 127 ILE HA H 1 3.865 0.002 . 1 . . . . 747 ILE HA . 18599 1 1500 . 1 1 127 127 ILE HB H 1 1.598 0.003 . 1 . . . . 747 ILE HB . 18599 1 1501 . 1 1 127 127 ILE HG12 H 1 1.281 0.0 . 2 . . . . 747 ILE HG12 . 18599 1 1502 . 1 1 127 127 ILE HG13 H 1 1.230 0.001 . 2 . . . . 747 ILE HG13 . 18599 1 1503 . 1 1 127 127 ILE HG21 H 1 0.923 0.007 . 1 . . . . 747 ILE HG21 . 18599 1 1504 . 1 1 127 127 ILE HG22 H 1 0.923 0.007 . 1 . . . . 747 ILE HG22 . 18599 1 1505 . 1 1 127 127 ILE HG23 H 1 0.923 0.007 . 1 . . . . 747 ILE HG23 . 18599 1 1506 . 1 1 127 127 ILE HD11 H 1 0.743 0.003 . 1 . . . . 747 ILE HD11 . 18599 1 1507 . 1 1 127 127 ILE HD12 H 1 0.743 0.003 . 1 . . . . 747 ILE HD12 . 18599 1 1508 . 1 1 127 127 ILE HD13 H 1 0.743 0.003 . 1 . . . . 747 ILE HD13 . 18599 1 1509 . 1 1 127 127 ILE CA C 13 63.523 0.021 . 1 . . . . 747 ILE CA . 18599 1 1510 . 1 1 127 127 ILE CB C 13 39.170 0.041 . 1 . . . . 747 ILE CB . 18599 1 1511 . 1 1 127 127 ILE CG1 C 13 27.106 0.002 . 1 . . . . 747 ILE CG1 . 18599 1 1512 . 1 1 127 127 ILE CG2 C 13 17.849 0.057 . 1 . . . . 747 ILE CG2 . 18599 1 1513 . 1 1 127 127 ILE CD1 C 13 13.956 0.074 . 1 . . . . 747 ILE CD1 . 18599 1 1514 . 1 1 127 127 ILE N N 15 125.930 0.026 . 1 . . . . 747 ILE N . 18599 1 stop_ save_