data_19495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19495 _Entry.Title ; HN, NH, CA, CB and methyl group assignments of Filamin C two Ig-domain fragment FLNc4-5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-16 _Entry.Accession_date 2013-09-16 _Entry.Last_release_date 2014-02-12 _Entry.Original_release_date 2014-02-12 _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 Helena Tossavainen . . . 19495 2 Perttu Permi . . . 19495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 19495 '15N chemical shifts' 169 19495 '1H chemical shifts' 457 19495 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 1 . . 2014-02-12 2013-09-16 original author . 19495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19496 FLNa3-5 19495 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19495 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24414222 _Citation.Full_citation . _Citation.Title 'H(N), N(H), C (), C (), and methyl group assignments of filamin multidomain fragments IgFLNc4-5 and IgFLNa3-5.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Helena Tossavainen . . . 19495 1 2 Jonne Seppala . . . 19495 1 3 Ritika Sethi . . . 19495 1 4 Tero Pihlajamaa . . . 19495 1 5 Perttu Permi . . . 19495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19495 _Assembly.ID 1 _Assembly.Name FLNc4-5 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FLNc4-5 1 $FLNc4-5 A . yes native no no . . . 19495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FLNc4-5 _Entity.Sf_category entity _Entity.Sf_framecode FLNc4-5 _Entity.Entry_ID 19495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FLNc4-5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMAGVQKVRAWGPGLETGQV GKSADFVVEAIGTEVGTLGF SIEGPSQAKIECDDKGDGSC DVRYWPTEPGEYAVHVICDD EDIRDSPFIAHILPAPPDCF PDKVKAFGPGLEPTGCIVDK PAEFTIDARAAGKGDLKLYA QDADGCPIDIKVIPNGDGTF RCSYVPTKPIKHTIIISWGG VNVPKSPFRVNVGEG ; _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 195 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3V8O . "Human Filamin C Ig - Like Domains 4 And 5" . . . . . 99.49 194 99.48 99.48 1.60e-134 . . . . 19495 1 2 no PDB 4MGX . "Crystal Structure Of Human Filamin C Domains 4-5 And Gpib Alpha Cytoplasmic Domain Complex" . . . . . 94.87 185 100.00 100.00 1.04e-128 . . . . 19495 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 1 567 SER . 19495 1 2 568 MET . 19495 1 3 569 ALA . 19495 1 4 570 GLY . 19495 1 5 571 VAL . 19495 1 6 572 GLN . 19495 1 7 573 LYS . 19495 1 8 574 VAL . 19495 1 9 575 ARG . 19495 1 10 576 ALA . 19495 1 11 577 TRP . 19495 1 12 578 GLY . 19495 1 13 579 PRO . 19495 1 14 580 GLY . 19495 1 15 581 LEU . 19495 1 16 582 GLU . 19495 1 17 583 THR . 19495 1 18 584 GLY . 19495 1 19 585 GLN . 19495 1 20 586 VAL . 19495 1 21 587 GLY . 19495 1 22 588 LYS . 19495 1 23 589 SER . 19495 1 24 590 ALA . 19495 1 25 591 ASP . 19495 1 26 592 PHE . 19495 1 27 593 VAL . 19495 1 28 594 VAL . 19495 1 29 595 GLU . 19495 1 30 596 ALA . 19495 1 31 597 ILE . 19495 1 32 598 GLY . 19495 1 33 599 THR . 19495 1 34 600 GLU . 19495 1 35 601 VAL . 19495 1 36 602 GLY . 19495 1 37 603 THR . 19495 1 38 604 LEU . 19495 1 39 605 GLY . 19495 1 40 606 PHE . 19495 1 41 607 SER . 19495 1 42 608 ILE . 19495 1 43 609 GLU . 19495 1 44 610 GLY . 19495 1 45 611 PRO . 19495 1 46 612 SER . 19495 1 47 613 GLN . 19495 1 48 614 ALA . 19495 1 49 615 LYS . 19495 1 50 616 ILE . 19495 1 51 617 GLU . 19495 1 52 618 CYS . 19495 1 53 619 ASP . 19495 1 54 620 ASP . 19495 1 55 621 LYS . 19495 1 56 622 GLY . 19495 1 57 623 ASP . 19495 1 58 624 GLY . 19495 1 59 625 SER . 19495 1 60 626 CYS . 19495 1 61 627 ASP . 19495 1 62 628 VAL . 19495 1 63 629 ARG . 19495 1 64 630 TYR . 19495 1 65 631 TRP . 19495 1 66 632 PRO . 19495 1 67 633 THR . 19495 1 68 634 GLU . 19495 1 69 635 PRO . 19495 1 70 636 GLY . 19495 1 71 637 GLU . 19495 1 72 638 TYR . 19495 1 73 639 ALA . 19495 1 74 640 VAL . 19495 1 75 641 HIS . 19495 1 76 642 VAL . 19495 1 77 643 ILE . 19495 1 78 644 CYS . 19495 1 79 645 ASP . 19495 1 80 646 ASP . 19495 1 81 647 GLU . 19495 1 82 648 ASP . 19495 1 83 649 ILE . 19495 1 84 650 ARG . 19495 1 85 651 ASP . 19495 1 86 652 SER . 19495 1 87 653 PRO . 19495 1 88 654 PHE . 19495 1 89 655 ILE . 19495 1 90 656 ALA . 19495 1 91 657 HIS . 19495 1 92 658 ILE . 19495 1 93 659 LEU . 19495 1 94 660 PRO . 19495 1 95 661 ALA . 19495 1 96 662 PRO . 19495 1 97 663 PRO . 19495 1 98 664 ASP . 19495 1 99 665 CYS . 19495 1 100 666 PHE . 19495 1 101 667 PRO . 19495 1 102 668 ASP . 19495 1 103 669 LYS . 19495 1 104 670 VAL . 19495 1 105 671 LYS . 19495 1 106 672 ALA . 19495 1 107 673 PHE . 19495 1 108 674 GLY . 19495 1 109 675 PRO . 19495 1 110 676 GLY . 19495 1 111 677 LEU . 19495 1 112 678 GLU . 19495 1 113 679 PRO . 19495 1 114 680 THR . 19495 1 115 681 GLY . 19495 1 116 682 CYS . 19495 1 117 683 ILE . 19495 1 118 684 VAL . 19495 1 119 685 ASP . 19495 1 120 686 LYS . 19495 1 121 687 PRO . 19495 1 122 688 ALA . 19495 1 123 689 GLU . 19495 1 124 690 PHE . 19495 1 125 691 THR . 19495 1 126 692 ILE . 19495 1 127 693 ASP . 19495 1 128 694 ALA . 19495 1 129 695 ARG . 19495 1 130 696 ALA . 19495 1 131 697 ALA . 19495 1 132 698 GLY . 19495 1 133 699 LYS . 19495 1 134 700 GLY . 19495 1 135 701 ASP . 19495 1 136 702 LEU . 19495 1 137 703 LYS . 19495 1 138 704 LEU . 19495 1 139 705 TYR . 19495 1 140 706 ALA . 19495 1 141 707 GLN . 19495 1 142 708 ASP . 19495 1 143 709 ALA . 19495 1 144 710 ASP . 19495 1 145 711 GLY . 19495 1 146 712 CYS . 19495 1 147 713 PRO . 19495 1 148 714 ILE . 19495 1 149 715 ASP . 19495 1 150 716 ILE . 19495 1 151 717 LYS . 19495 1 152 718 VAL . 19495 1 153 719 ILE . 19495 1 154 720 PRO . 19495 1 155 721 ASN . 19495 1 156 722 GLY . 19495 1 157 723 ASP . 19495 1 158 724 GLY . 19495 1 159 725 THR . 19495 1 160 726 PHE . 19495 1 161 727 ARG . 19495 1 162 728 CYS . 19495 1 163 729 SER . 19495 1 164 730 TYR . 19495 1 165 731 VAL . 19495 1 166 732 PRO . 19495 1 167 733 THR . 19495 1 168 734 LYS . 19495 1 169 735 PRO . 19495 1 170 736 ILE . 19495 1 171 737 LYS . 19495 1 172 738 HIS . 19495 1 173 739 THR . 19495 1 174 740 ILE . 19495 1 175 741 ILE . 19495 1 176 742 ILE . 19495 1 177 743 SER . 19495 1 178 744 TRP . 19495 1 179 745 GLY . 19495 1 180 746 GLY . 19495 1 181 747 VAL . 19495 1 182 748 ASN . 19495 1 183 749 VAL . 19495 1 184 750 PRO . 19495 1 185 751 LYS . 19495 1 186 752 SER . 19495 1 187 753 PRO . 19495 1 188 754 PHE . 19495 1 189 755 ARG . 19495 1 190 756 VAL . 19495 1 191 757 ASN . 19495 1 192 758 VAL . 19495 1 193 759 GLY . 19495 1 194 760 GLU . 19495 1 195 761 GLY . 19495 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 . SER 1 1 19495 1 . MET 2 2 19495 1 . ALA 3 3 19495 1 . GLY 4 4 19495 1 . VAL 5 5 19495 1 . GLN 6 6 19495 1 . LYS 7 7 19495 1 . VAL 8 8 19495 1 . ARG 9 9 19495 1 . ALA 10 10 19495 1 . TRP 11 11 19495 1 . GLY 12 12 19495 1 . PRO 13 13 19495 1 . GLY 14 14 19495 1 . LEU 15 15 19495 1 . GLU 16 16 19495 1 . THR 17 17 19495 1 . GLY 18 18 19495 1 . GLN 19 19 19495 1 . VAL 20 20 19495 1 . GLY 21 21 19495 1 . LYS 22 22 19495 1 . SER 23 23 19495 1 . ALA 24 24 19495 1 . ASP 25 25 19495 1 . PHE 26 26 19495 1 . VAL 27 27 19495 1 . VAL 28 28 19495 1 . GLU 29 29 19495 1 . ALA 30 30 19495 1 . ILE 31 31 19495 1 . GLY 32 32 19495 1 . THR 33 33 19495 1 . GLU 34 34 19495 1 . VAL 35 35 19495 1 . GLY 36 36 19495 1 . THR 37 37 19495 1 . LEU 38 38 19495 1 . GLY 39 39 19495 1 . PHE 40 40 19495 1 . SER 41 41 19495 1 . ILE 42 42 19495 1 . GLU 43 43 19495 1 . GLY 44 44 19495 1 . PRO 45 45 19495 1 . SER 46 46 19495 1 . GLN 47 47 19495 1 . ALA 48 48 19495 1 . LYS 49 49 19495 1 . ILE 50 50 19495 1 . GLU 51 51 19495 1 . CYS 52 52 19495 1 . ASP 53 53 19495 1 . ASP 54 54 19495 1 . LYS 55 55 19495 1 . GLY 56 56 19495 1 . ASP 57 57 19495 1 . GLY 58 58 19495 1 . SER 59 59 19495 1 . CYS 60 60 19495 1 . ASP 61 61 19495 1 . VAL 62 62 19495 1 . ARG 63 63 19495 1 . TYR 64 64 19495 1 . TRP 65 65 19495 1 . PRO 66 66 19495 1 . THR 67 67 19495 1 . GLU 68 68 19495 1 . PRO 69 69 19495 1 . GLY 70 70 19495 1 . GLU 71 71 19495 1 . TYR 72 72 19495 1 . ALA 73 73 19495 1 . VAL 74 74 19495 1 . HIS 75 75 19495 1 . VAL 76 76 19495 1 . ILE 77 77 19495 1 . CYS 78 78 19495 1 . ASP 79 79 19495 1 . ASP 80 80 19495 1 . GLU 81 81 19495 1 . ASP 82 82 19495 1 . ILE 83 83 19495 1 . ARG 84 84 19495 1 . ASP 85 85 19495 1 . SER 86 86 19495 1 . PRO 87 87 19495 1 . PHE 88 88 19495 1 . ILE 89 89 19495 1 . ALA 90 90 19495 1 . HIS 91 91 19495 1 . ILE 92 92 19495 1 . LEU 93 93 19495 1 . PRO 94 94 19495 1 . ALA 95 95 19495 1 . PRO 96 96 19495 1 . PRO 97 97 19495 1 . ASP 98 98 19495 1 . CYS 99 99 19495 1 . PHE 100 100 19495 1 . PRO 101 101 19495 1 . ASP 102 102 19495 1 . LYS 103 103 19495 1 . VAL 104 104 19495 1 . LYS 105 105 19495 1 . ALA 106 106 19495 1 . PHE 107 107 19495 1 . GLY 108 108 19495 1 . PRO 109 109 19495 1 . GLY 110 110 19495 1 . LEU 111 111 19495 1 . GLU 112 112 19495 1 . PRO 113 113 19495 1 . THR 114 114 19495 1 . GLY 115 115 19495 1 . CYS 116 116 19495 1 . ILE 117 117 19495 1 . VAL 118 118 19495 1 . ASP 119 119 19495 1 . LYS 120 120 19495 1 . PRO 121 121 19495 1 . ALA 122 122 19495 1 . GLU 123 123 19495 1 . PHE 124 124 19495 1 . THR 125 125 19495 1 . ILE 126 126 19495 1 . ASP 127 127 19495 1 . ALA 128 128 19495 1 . ARG 129 129 19495 1 . ALA 130 130 19495 1 . ALA 131 131 19495 1 . GLY 132 132 19495 1 . LYS 133 133 19495 1 . GLY 134 134 19495 1 . ASP 135 135 19495 1 . LEU 136 136 19495 1 . LYS 137 137 19495 1 . LEU 138 138 19495 1 . TYR 139 139 19495 1 . ALA 140 140 19495 1 . GLN 141 141 19495 1 . ASP 142 142 19495 1 . ALA 143 143 19495 1 . ASP 144 144 19495 1 . GLY 145 145 19495 1 . CYS 146 146 19495 1 . PRO 147 147 19495 1 . ILE 148 148 19495 1 . ASP 149 149 19495 1 . ILE 150 150 19495 1 . LYS 151 151 19495 1 . VAL 152 152 19495 1 . ILE 153 153 19495 1 . PRO 154 154 19495 1 . ASN 155 155 19495 1 . GLY 156 156 19495 1 . ASP 157 157 19495 1 . GLY 158 158 19495 1 . THR 159 159 19495 1 . PHE 160 160 19495 1 . ARG 161 161 19495 1 . CYS 162 162 19495 1 . SER 163 163 19495 1 . TYR 164 164 19495 1 . VAL 165 165 19495 1 . PRO 166 166 19495 1 . THR 167 167 19495 1 . LYS 168 168 19495 1 . PRO 169 169 19495 1 . ILE 170 170 19495 1 . LYS 171 171 19495 1 . HIS 172 172 19495 1 . THR 173 173 19495 1 . ILE 174 174 19495 1 . ILE 175 175 19495 1 . ILE 176 176 19495 1 . SER 177 177 19495 1 . TRP 178 178 19495 1 . GLY 179 179 19495 1 . GLY 180 180 19495 1 . VAL 181 181 19495 1 . ASN 182 182 19495 1 . VAL 183 183 19495 1 . PRO 184 184 19495 1 . LYS 185 185 19495 1 . SER 186 186 19495 1 . PRO 187 187 19495 1 . PHE 188 188 19495 1 . ARG 189 189 19495 1 . VAL 190 190 19495 1 . ASN 191 191 19495 1 . VAL 192 192 19495 1 . GLY 193 193 19495 1 . GLU 194 194 19495 1 . GLY 195 195 19495 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 19495 _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 $FLNc4-5 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19495 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 19495 _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 $FLNc4-5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGTVL1 . . . . . . 19495 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19495 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FLNc4-5 '[U-13C; U-15N]' . . 1 $FLNc4-5 . . 0.9 . . mM . . . . 19495 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19495 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19495 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19495 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19495 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19495 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19495 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 19495 1 pressure 1 . atm 19495 1 temperature 273 . K 19495 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19495 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Agilent . . 19495 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19495 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19495 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19495 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19495 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19495 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19495 _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 Varian INOVA . 800 . . . 19495 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19495 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19495 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19495 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19495 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19495 1 5 HCCmHm-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19495 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 19495 _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 TSP 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 19495 1 H 1 water protons . . . . ppm 4.73 internal direct 1.000000000 . . . . . . . . . 19495 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19495 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19495 _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' . . . 19495 1 2 '2D 1H-13C HSQC' . . . 19495 1 3 '3D HNCACB' . . . 19495 1 4 '3D CBCA(CO)NH' . . . 19495 1 5 HCCmHm-TOCSY . . . 19495 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 MET H H 1 8.426 0.000 . 1 . . . . 568 MET H . 19495 1 2 . 1 1 2 2 MET CA C 13 55.719 0.000 . 1 . . . . 568 MET CA . 19495 1 3 . 1 1 2 2 MET CB C 13 33.003 0.000 . 1 . . . . 568 MET CB . 19495 1 4 . 1 1 2 2 MET CG C 13 31.964 0.000 . 1 . . . . 568 MET CG . 19495 1 5 . 1 1 2 2 MET N N 15 125.280 0.005 . 1 . . . . 568 MET N . 19495 1 6 . 1 1 3 3 ALA H H 1 8.426 0.001 . 1 . . . . 569 ALA H . 19495 1 7 . 1 1 3 3 ALA HB1 H 1 1.297 0.000 . 1 . . . . 569 ALA HB . 19495 1 8 . 1 1 3 3 ALA HB2 H 1 1.297 0.000 . 1 . . . . 569 ALA HB . 19495 1 9 . 1 1 3 3 ALA HB3 H 1 1.297 0.000 . 1 . . . . 569 ALA HB . 19495 1 10 . 1 1 3 3 ALA CA C 13 52.724 0.027 . 1 . . . . 569 ALA CA . 19495 1 11 . 1 1 3 3 ALA CB C 13 19.291 0.062 . 1 . . . . 569 ALA CB . 19495 1 12 . 1 1 3 3 ALA N N 15 125.285 0.054 . 1 . . . . 569 ALA N . 19495 1 13 . 1 1 4 4 GLY H H 1 8.389 0.001 . 1 . . . . 570 GLY H . 19495 1 14 . 1 1 4 4 GLY CA C 13 45.452 0.088 . 1 . . . . 570 GLY CA . 19495 1 15 . 1 1 4 4 GLY N N 15 108.445 0.046 . 1 . . . . 570 GLY N . 19495 1 16 . 1 1 5 5 VAL H H 1 7.924 0.003 . 1 . . . . 571 VAL H . 19495 1 17 . 1 1 5 5 VAL HG11 H 1 0.821 0.000 . 2 . . . . 571 VAL QG1 . 19495 1 18 . 1 1 5 5 VAL HG12 H 1 0.821 0.000 . 2 . . . . 571 VAL QG1 . 19495 1 19 . 1 1 5 5 VAL HG13 H 1 0.821 0.000 . 2 . . . . 571 VAL QG1 . 19495 1 20 . 1 1 5 5 VAL HG21 H 1 0.846 0.000 . 2 . . . . 571 VAL QG2 . 19495 1 21 . 1 1 5 5 VAL HG22 H 1 0.846 0.000 . 2 . . . . 571 VAL QG2 . 19495 1 22 . 1 1 5 5 VAL HG23 H 1 0.846 0.000 . 2 . . . . 571 VAL QG2 . 19495 1 23 . 1 1 5 5 VAL CA C 13 62.436 0.038 . 1 . . . . 571 VAL CA . 19495 1 24 . 1 1 5 5 VAL CB C 13 32.847 0.098 . 1 . . . . 571 VAL CB . 19495 1 25 . 1 1 5 5 VAL CG1 C 13 21.127 0.000 . 1 . . . . 571 VAL CG1 . 19495 1 26 . 1 1 5 5 VAL CG2 C 13 20.865 0.000 . 1 . . . . 571 VAL CG2 . 19495 1 27 . 1 1 5 5 VAL N N 15 119.763 0.056 . 1 . . . . 571 VAL N . 19495 1 28 . 1 1 6 6 GLN H H 1 8.500 0.002 . 1 . . . . 572 GLN H . 19495 1 29 . 1 1 6 6 GLN CA C 13 55.199 0.003 . 1 . . . . 572 GLN CA . 19495 1 30 . 1 1 6 6 GLN CB C 13 29.979 0.029 . 1 . . . . 572 GLN CB . 19495 1 31 . 1 1 6 6 GLN CG C 13 34.187 0.000 . 1 . . . . 572 GLN CG . 19495 1 32 . 1 1 6 6 GLN N N 15 124.080 0.030 . 1 . . . . 572 GLN N . 19495 1 33 . 1 1 7 7 LYS H H 1 8.864 0.004 . 1 . . . . 573 LYS H . 19495 1 34 . 1 1 7 7 LYS CA C 13 57.684 0.035 . 1 . . . . 573 LYS CA . 19495 1 35 . 1 1 7 7 LYS CB C 13 35.322 0.010 . 1 . . . . 573 LYS CB . 19495 1 36 . 1 1 7 7 LYS N N 15 121.285 0.035 . 1 . . . . 573 LYS N . 19495 1 37 . 1 1 8 8 VAL H H 1 7.604 0.002 . 1 . . . . 574 VAL H . 19495 1 38 . 1 1 8 8 VAL HG11 H 1 0.800 0.000 . 2 . . . . 574 VAL QG1 . 19495 1 39 . 1 1 8 8 VAL HG12 H 1 0.800 0.000 . 2 . . . . 574 VAL QG1 . 19495 1 40 . 1 1 8 8 VAL HG13 H 1 0.800 0.000 . 2 . . . . 574 VAL QG1 . 19495 1 41 . 1 1 8 8 VAL HG21 H 1 0.731 0.000 . 2 . . . . 574 VAL QG2 . 19495 1 42 . 1 1 8 8 VAL HG22 H 1 0.731 0.000 . 2 . . . . 574 VAL QG2 . 19495 1 43 . 1 1 8 8 VAL HG23 H 1 0.731 0.000 . 2 . . . . 574 VAL QG2 . 19495 1 44 . 1 1 8 8 VAL CA C 13 59.661 0.061 . 1 . . . . 574 VAL CA . 19495 1 45 . 1 1 8 8 VAL CB C 13 36.351 0.116 . 1 . . . . 574 VAL CB . 19495 1 46 . 1 1 8 8 VAL CG1 C 13 22.493 0.000 . 1 . . . . 574 VAL CG1 . 19495 1 47 . 1 1 8 8 VAL CG2 C 13 20.946 0.000 . 1 . . . . 574 VAL CG2 . 19495 1 48 . 1 1 8 8 VAL N N 15 114.156 0.028 . 1 . . . . 574 VAL N . 19495 1 49 . 1 1 9 9 ARG H H 1 9.082 0.003 . 1 . . . . 575 ARG H . 19495 1 50 . 1 1 9 9 ARG CA C 13 54.195 0.005 . 1 . . . . 575 ARG CA . 19495 1 51 . 1 1 9 9 ARG CB C 13 34.457 0.009 . 1 . . . . 575 ARG CB . 19495 1 52 . 1 1 9 9 ARG CG C 13 27.415 0.000 . 1 . . . . 575 ARG CG . 19495 1 53 . 1 1 9 9 ARG N N 15 120.476 0.016 . 1 . . . . 575 ARG N . 19495 1 54 . 1 1 10 10 ALA H H 1 8.906 0.002 . 1 . . . . 576 ALA H . 19495 1 55 . 1 1 10 10 ALA CA C 13 50.788 0.002 . 1 . . . . 576 ALA CA . 19495 1 56 . 1 1 10 10 ALA CB C 13 23.463 0.048 . 1 . . . . 576 ALA CB . 19495 1 57 . 1 1 10 10 ALA N N 15 124.232 0.025 . 1 . . . . 576 ALA N . 19495 1 58 . 1 1 11 11 TRP H H 1 8.798 0.004 . 1 . . . . 577 TRP H . 19495 1 59 . 1 1 11 11 TRP CA C 13 56.239 0.001 . 1 . . . . 577 TRP CA . 19495 1 60 . 1 1 11 11 TRP CB C 13 28.508 0.015 . 1 . . . . 577 TRP CB . 19495 1 61 . 1 1 11 11 TRP N N 15 119.325 0.025 . 1 . . . . 577 TRP N . 19495 1 62 . 1 1 12 12 GLY H H 1 8.801 0.004 . 1 . . . . 578 GLY H . 19495 1 63 . 1 1 12 12 GLY CA C 13 43.548 0.000 . 1 . . . . 578 GLY CA . 19495 1 64 . 1 1 12 12 GLY N N 15 104.853 0.028 . 1 . . . . 578 GLY N . 19495 1 65 . 1 1 13 13 PRO CA C 13 65.460 0.117 . 1 . . . . 579 PRO CA . 19495 1 66 . 1 1 13 13 PRO CB C 13 29.502 0.000 . 1 . . . . 579 PRO CB . 19495 1 67 . 1 1 14 14 GLY H H 1 8.961 0.003 . 1 . . . . 580 GLY H . 19495 1 68 . 1 1 14 14 GLY CA C 13 46.496 0.091 . 1 . . . . 580 GLY CA . 19495 1 69 . 1 1 14 14 GLY N N 15 103.649 0.028 . 1 . . . . 580 GLY N . 19495 1 70 . 1 1 15 15 LEU H H 1 6.777 0.003 . 1 . . . . 581 LEU H . 19495 1 71 . 1 1 15 15 LEU HD11 H 1 -0.518 0.061 . 2 . . . . 581 LEU QD1 . 19495 1 72 . 1 1 15 15 LEU HD12 H 1 -0.518 0.061 . 2 . . . . 581 LEU QD1 . 19495 1 73 . 1 1 15 15 LEU HD13 H 1 -0.518 0.061 . 2 . . . . 581 LEU QD1 . 19495 1 74 . 1 1 15 15 LEU HD21 H 1 -1.012 0.001 . 2 . . . . 581 LEU QD2 . 19495 1 75 . 1 1 15 15 LEU HD22 H 1 -1.012 0.001 . 2 . . . . 581 LEU QD2 . 19495 1 76 . 1 1 15 15 LEU HD23 H 1 -1.012 0.001 . 2 . . . . 581 LEU QD2 . 19495 1 77 . 1 1 15 15 LEU CA C 13 54.197 0.006 . 1 . . . . 581 LEU CA . 19495 1 78 . 1 1 15 15 LEU CB C 13 39.918 0.071 . 1 . . . . 581 LEU CB . 19495 1 79 . 1 1 15 15 LEU CG C 13 26.002 0.000 . 1 . . . . 581 LEU CG . 19495 1 80 . 1 1 15 15 LEU CD1 C 13 23.151 0.044 . 1 . . . . 581 LEU CD1 . 19495 1 81 . 1 1 15 15 LEU CD2 C 13 18.450 0.006 . 1 . . . . 581 LEU CD2 . 19495 1 82 . 1 1 15 15 LEU N N 15 115.124 0.018 . 1 . . . . 581 LEU N . 19495 1 83 . 1 1 16 16 GLU H H 1 8.125 0.002 . 1 . . . . 582 GLU H . 19495 1 84 . 1 1 16 16 GLU CA C 13 56.722 0.025 . 1 . . . . 582 GLU CA . 19495 1 85 . 1 1 16 16 GLU CB C 13 33.791 0.063 . 1 . . . . 582 GLU CB . 19495 1 86 . 1 1 16 16 GLU CG C 13 35.329 0.000 . 1 . . . . 582 GLU CG . 19495 1 87 . 1 1 16 16 GLU N N 15 112.115 0.020 . 1 . . . . 582 GLU N . 19495 1 88 . 1 1 17 17 THR H H 1 9.140 0.002 . 1 . . . . 583 THR H . 19495 1 89 . 1 1 17 17 THR HG21 H 1 1.200 0.003 . 1 . . . . 583 THR QG2 . 19495 1 90 . 1 1 17 17 THR HG22 H 1 1.200 0.003 . 1 . . . . 583 THR QG2 . 19495 1 91 . 1 1 17 17 THR HG23 H 1 1.200 0.003 . 1 . . . . 583 THR QG2 . 19495 1 92 . 1 1 17 17 THR CA C 13 60.089 0.094 . 1 . . . . 583 THR CA . 19495 1 93 . 1 1 17 17 THR CB C 13 70.318 0.041 . 1 . . . . 583 THR CB . 19495 1 94 . 1 1 17 17 THR CG2 C 13 18.615 0.003 . 1 . . . . 583 THR CG2 . 19495 1 95 . 1 1 17 17 THR N N 15 119.511 0.041 . 1 . . . . 583 THR N . 19495 1 96 . 1 1 18 18 GLY H H 1 7.859 0.002 . 1 . . . . 584 GLY H . 19495 1 97 . 1 1 18 18 GLY CA C 13 44.582 0.015 . 1 . . . . 584 GLY CA . 19495 1 98 . 1 1 18 18 GLY N N 15 105.441 0.029 . 1 . . . . 584 GLY N . 19495 1 99 . 1 1 19 19 GLN H H 1 9.217 0.002 . 1 . . . . 585 GLN H . 19495 1 100 . 1 1 19 19 GLN CA C 13 53.505 0.000 . 1 . . . . 585 GLN CA . 19495 1 101 . 1 1 19 19 GLN CB C 13 33.712 0.000 . 1 . . . . 585 GLN CB . 19495 1 102 . 1 1 19 19 GLN N N 15 118.754 0.031 . 1 . . . . 585 GLN N . 19495 1 103 . 1 1 21 21 GLY CA C 13 45.508 0.000 . 1 . . . . 587 GLY CA . 19495 1 104 . 1 1 22 22 LYS H H 1 7.888 0.001 . 1 . . . . 588 LYS H . 19495 1 105 . 1 1 22 22 LYS CA C 13 53.667 0.012 . 1 . . . . 588 LYS CA . 19495 1 106 . 1 1 22 22 LYS CB C 13 34.849 0.012 . 1 . . . . 588 LYS CB . 19495 1 107 . 1 1 22 22 LYS CG C 13 25.845 0.000 . 1 . . . . 588 LYS CG . 19495 1 108 . 1 1 22 22 LYS N N 15 119.467 0.020 . 1 . . . . 588 LYS N . 19495 1 109 . 1 1 23 23 SER H H 1 8.405 0.002 . 1 . . . . 589 SER H . 19495 1 110 . 1 1 23 23 SER CA C 13 58.738 0.027 . 1 . . . . 589 SER CA . 19495 1 111 . 1 1 23 23 SER CB C 13 61.802 0.033 . 1 . . . . 589 SER CB . 19495 1 112 . 1 1 23 23 SER N N 15 119.440 0.016 . 1 . . . . 589 SER N . 19495 1 113 . 1 1 24 24 ALA H H 1 8.551 0.003 . 1 . . . . 590 ALA H . 19495 1 114 . 1 1 24 24 ALA HB1 H 1 0.089 0.002 . 1 . . . . 590 ALA HB . 19495 1 115 . 1 1 24 24 ALA HB2 H 1 0.089 0.002 . 1 . . . . 590 ALA HB . 19495 1 116 . 1 1 24 24 ALA HB3 H 1 0.089 0.002 . 1 . . . . 590 ALA HB . 19495 1 117 . 1 1 24 24 ALA CA C 13 50.363 0.038 . 1 . . . . 590 ALA CA . 19495 1 118 . 1 1 24 24 ALA CB C 13 17.850 0.036 . 1 . . . . 590 ALA CB . 19495 1 119 . 1 1 24 24 ALA N N 15 130.122 0.057 . 1 . . . . 590 ALA N . 19495 1 120 . 1 1 25 25 ASP H H 1 7.540 0.002 . 1 . . . . 591 ASP H . 19495 1 121 . 1 1 25 25 ASP CA C 13 54.619 0.000 . 1 . . . . 591 ASP CA . 19495 1 122 . 1 1 25 25 ASP CB C 13 41.093 0.000 . 1 . . . . 591 ASP CB . 19495 1 123 . 1 1 25 25 ASP N N 15 121.758 0.039 . 1 . . . . 591 ASP N . 19495 1 124 . 1 1 26 26 PHE H H 1 9.323 0.002 . 1 . . . . 592 PHE H . 19495 1 125 . 1 1 26 26 PHE CA C 13 56.653 0.028 . 1 . . . . 592 PHE CA . 19495 1 126 . 1 1 26 26 PHE CB C 13 39.401 0.115 . 1 . . . . 592 PHE CB . 19495 1 127 . 1 1 26 26 PHE N N 15 116.986 0.033 . 1 . . . . 592 PHE N . 19495 1 128 . 1 1 27 27 VAL H H 1 8.699 0.002 . 1 . . . . 593 VAL H . 19495 1 129 . 1 1 27 27 VAL HG11 H 1 0.441 0.004 . 2 . . . . 593 VAL QG1 . 19495 1 130 . 1 1 27 27 VAL HG12 H 1 0.441 0.004 . 2 . . . . 593 VAL QG1 . 19495 1 131 . 1 1 27 27 VAL HG13 H 1 0.441 0.004 . 2 . . . . 593 VAL QG1 . 19495 1 132 . 1 1 27 27 VAL HG21 H 1 -0.009 0.000 . 2 . . . . 593 VAL QG2 . 19495 1 133 . 1 1 27 27 VAL HG22 H 1 -0.009 0.000 . 2 . . . . 593 VAL QG2 . 19495 1 134 . 1 1 27 27 VAL HG23 H 1 -0.009 0.000 . 2 . . . . 593 VAL QG2 . 19495 1 135 . 1 1 27 27 VAL CA C 13 60.302 0.017 . 1 . . . . 593 VAL CA . 19495 1 136 . 1 1 27 27 VAL CB C 13 34.572 0.034 . 1 . . . . 593 VAL CB . 19495 1 137 . 1 1 27 27 VAL CG1 C 13 21.819 0.120 . 1 . . . . 593 VAL CG1 . 19495 1 138 . 1 1 27 27 VAL CG2 C 13 21.391 0.000 . 1 . . . . 593 VAL CG2 . 19495 1 139 . 1 1 27 27 VAL N N 15 120.029 0.027 . 1 . . . . 593 VAL N . 19495 1 140 . 1 1 28 28 VAL H H 1 8.027 0.003 . 1 . . . . 594 VAL H . 19495 1 141 . 1 1 28 28 VAL HG11 H 1 1.036 0.002 . 2 . . . . 594 VAL QG1 . 19495 1 142 . 1 1 28 28 VAL HG12 H 1 1.036 0.002 . 2 . . . . 594 VAL QG1 . 19495 1 143 . 1 1 28 28 VAL HG13 H 1 1.036 0.002 . 2 . . . . 594 VAL QG1 . 19495 1 144 . 1 1 28 28 VAL HG21 H 1 0.920 0.002 . 2 . . . . 594 VAL QG2 . 19495 1 145 . 1 1 28 28 VAL HG22 H 1 0.920 0.002 . 2 . . . . 594 VAL QG2 . 19495 1 146 . 1 1 28 28 VAL HG23 H 1 0.920 0.002 . 2 . . . . 594 VAL QG2 . 19495 1 147 . 1 1 28 28 VAL CA C 13 60.208 0.032 . 1 . . . . 594 VAL CA . 19495 1 148 . 1 1 28 28 VAL CB C 13 34.694 0.024 . 1 . . . . 594 VAL CB . 19495 1 149 . 1 1 28 28 VAL CG1 C 13 23.026 0.043 . 1 . . . . 594 VAL CG1 . 19495 1 150 . 1 1 28 28 VAL CG2 C 13 22.117 0.010 . 1 . . . . 594 VAL CG2 . 19495 1 151 . 1 1 28 28 VAL N N 15 121.269 0.038 . 1 . . . . 594 VAL N . 19495 1 152 . 1 1 29 29 GLU H H 1 9.027 0.002 . 1 . . . . 595 GLU H . 19495 1 153 . 1 1 29 29 GLU CA C 13 54.236 0.020 . 1 . . . . 595 GLU CA . 19495 1 154 . 1 1 29 29 GLU CB C 13 34.434 0.063 . 1 . . . . 595 GLU CB . 19495 1 155 . 1 1 29 29 GLU N N 15 123.943 0.026 . 1 . . . . 595 GLU N . 19495 1 156 . 1 1 30 30 ALA H H 1 8.580 0.005 . 1 . . . . 596 ALA H . 19495 1 157 . 1 1 30 30 ALA HB1 H 1 1.287 0.000 . 1 . . . . 596 ALA HB . 19495 1 158 . 1 1 30 30 ALA HB2 H 1 1.287 0.000 . 1 . . . . 596 ALA HB . 19495 1 159 . 1 1 30 30 ALA HB3 H 1 1.287 0.000 . 1 . . . . 596 ALA HB . 19495 1 160 . 1 1 30 30 ALA CA C 13 52.065 0.043 . 1 . . . . 596 ALA CA . 19495 1 161 . 1 1 30 30 ALA CB C 13 19.703 0.063 . 1 . . . . 596 ALA CB . 19495 1 162 . 1 1 30 30 ALA N N 15 124.811 0.074 . 1 . . . . 596 ALA N . 19495 1 163 . 1 1 31 31 ILE H H 1 8.303 0.002 . 1 . . . . 597 ILE H . 19495 1 164 . 1 1 31 31 ILE HG21 H 1 0.764 0.000 . 1 . . . . 597 ILE QG2 . 19495 1 165 . 1 1 31 31 ILE HG22 H 1 0.764 0.000 . 1 . . . . 597 ILE QG2 . 19495 1 166 . 1 1 31 31 ILE HG23 H 1 0.764 0.000 . 1 . . . . 597 ILE QG2 . 19495 1 167 . 1 1 31 31 ILE HD11 H 1 0.591 0.000 . 1 . . . . 597 ILE QD1 . 19495 1 168 . 1 1 31 31 ILE HD12 H 1 0.591 0.000 . 1 . . . . 597 ILE QD1 . 19495 1 169 . 1 1 31 31 ILE HD13 H 1 0.591 0.000 . 1 . . . . 597 ILE QD1 . 19495 1 170 . 1 1 31 31 ILE CA C 13 62.146 0.086 . 1 . . . . 597 ILE CA . 19495 1 171 . 1 1 31 31 ILE CB C 13 38.621 0.031 . 1 . . . . 597 ILE CB . 19495 1 172 . 1 1 31 31 ILE CG1 C 13 27.996 0.008 . 1 . . . . 597 ILE CG1 . 19495 1 173 . 1 1 31 31 ILE CG2 C 13 17.523 0.034 . 1 . . . . 597 ILE CG2 . 19495 1 174 . 1 1 31 31 ILE CD1 C 13 13.731 0.002 . 1 . . . . 597 ILE CD1 . 19495 1 175 . 1 1 31 31 ILE N N 15 123.196 0.017 . 1 . . . . 597 ILE N . 19495 1 176 . 1 1 32 32 GLY H H 1 8.516 0.003 . 1 . . . . 598 GLY H . 19495 1 177 . 1 1 32 32 GLY CA C 13 45.157 0.003 . 1 . . . . 598 GLY CA . 19495 1 178 . 1 1 32 32 GLY N N 15 112.246 0.039 . 1 . . . . 598 GLY N . 19495 1 179 . 1 1 33 33 THR H H 1 8.117 0.002 . 1 . . . . 599 THR H . 19495 1 180 . 1 1 33 33 THR HG21 H 1 1.026 0.003 . 1 . . . . 599 THR QG2 . 19495 1 181 . 1 1 33 33 THR HG22 H 1 1.026 0.003 . 1 . . . . 599 THR QG2 . 19495 1 182 . 1 1 33 33 THR HG23 H 1 1.026 0.003 . 1 . . . . 599 THR QG2 . 19495 1 183 . 1 1 33 33 THR CA C 13 61.778 0.030 . 1 . . . . 599 THR CA . 19495 1 184 . 1 1 33 33 THR CB C 13 69.473 0.172 . 1 . . . . 599 THR CB . 19495 1 185 . 1 1 33 33 THR CG2 C 13 21.278 0.005 . 1 . . . . 599 THR CG2 . 19495 1 186 . 1 1 33 33 THR N N 15 113.201 0.021 . 1 . . . . 599 THR N . 19495 1 187 . 1 1 34 34 GLU H H 1 8.094 0.001 . 1 . . . . 600 GLU H . 19495 1 188 . 1 1 34 34 GLU CA C 13 56.041 0.040 . 1 . . . . 600 GLU CA . 19495 1 189 . 1 1 34 34 GLU CB C 13 30.785 0.005 . 1 . . . . 600 GLU CB . 19495 1 190 . 1 1 34 34 GLU CG C 13 36.076 0.044 . 1 . . . . 600 GLU CG . 19495 1 191 . 1 1 34 34 GLU N N 15 121.367 0.030 . 1 . . . . 600 GLU N . 19495 1 192 . 1 1 35 35 VAL H H 1 8.515 0.001 . 1 . . . . 601 VAL H . 19495 1 193 . 1 1 35 35 VAL HG11 H 1 0.768 0.000 . 2 . . . . 601 VAL QG1 . 19495 1 194 . 1 1 35 35 VAL HG12 H 1 0.768 0.000 . 2 . . . . 601 VAL QG1 . 19495 1 195 . 1 1 35 35 VAL HG13 H 1 0.768 0.000 . 2 . . . . 601 VAL QG1 . 19495 1 196 . 1 1 35 35 VAL HG21 H 1 0.797 0.000 . 2 . . . . 601 VAL QG2 . 19495 1 197 . 1 1 35 35 VAL HG22 H 1 0.797 0.000 . 2 . . . . 601 VAL QG2 . 19495 1 198 . 1 1 35 35 VAL HG23 H 1 0.797 0.000 . 2 . . . . 601 VAL QG2 . 19495 1 199 . 1 1 35 35 VAL CA C 13 62.964 0.048 . 1 . . . . 601 VAL CA . 19495 1 200 . 1 1 35 35 VAL CB C 13 32.985 0.035 . 1 . . . . 601 VAL CB . 19495 1 201 . 1 1 35 35 VAL CG1 C 13 21.482 0.000 . 1 . . . . 601 VAL CG1 . 19495 1 202 . 1 1 35 35 VAL CG2 C 13 20.959 0.000 . 1 . . . . 601 VAL CG2 . 19495 1 203 . 1 1 35 35 VAL N N 15 121.530 0.040 . 1 . . . . 601 VAL N . 19495 1 204 . 1 1 36 36 GLY H H 1 8.103 0.001 . 1 . . . . 602 GLY H . 19495 1 205 . 1 1 36 36 GLY CA C 13 45.379 0.030 . 1 . . . . 602 GLY CA . 19495 1 206 . 1 1 36 36 GLY N N 15 109.455 0.021 . 1 . . . . 602 GLY N . 19495 1 207 . 1 1 37 37 THR H H 1 8.280 0.002 . 1 . . . . 603 THR H . 19495 1 208 . 1 1 37 37 THR CA C 13 62.239 0.014 . 1 . . . . 603 THR CA . 19495 1 209 . 1 1 37 37 THR CB C 13 69.688 0.102 . 1 . . . . 603 THR CB . 19495 1 210 . 1 1 37 37 THR CG2 C 13 24.667 0.000 . 1 . . . . 603 THR CG2 . 19495 1 211 . 1 1 37 37 THR N N 15 115.184 0.014 . 1 . . . . 603 THR N . 19495 1 212 . 1 1 38 38 LEU H H 1 8.289 0.003 . 1 . . . . 604 LEU H . 19495 1 213 . 1 1 38 38 LEU HD11 H 1 0.724 0.002 . 2 . . . . 604 LEU QD1 . 19495 1 214 . 1 1 38 38 LEU HD12 H 1 0.724 0.002 . 2 . . . . 604 LEU QD1 . 19495 1 215 . 1 1 38 38 LEU HD13 H 1 0.724 0.002 . 2 . . . . 604 LEU QD1 . 19495 1 216 . 1 1 38 38 LEU HD21 H 1 0.673 0.002 . 2 . . . . 604 LEU QD2 . 19495 1 217 . 1 1 38 38 LEU HD22 H 1 0.673 0.002 . 2 . . . . 604 LEU QD2 . 19495 1 218 . 1 1 38 38 LEU HD23 H 1 0.673 0.002 . 2 . . . . 604 LEU QD2 . 19495 1 219 . 1 1 38 38 LEU CA C 13 54.034 0.094 . 1 . . . . 604 LEU CA . 19495 1 220 . 1 1 38 38 LEU CB C 13 44.056 0.044 . 1 . . . . 604 LEU CB . 19495 1 221 . 1 1 38 38 LEU CG C 13 27.102 0.000 . 1 . . . . 604 LEU CG . 19495 1 222 . 1 1 38 38 LEU CD1 C 13 25.569 0.011 . 1 . . . . 604 LEU CD1 . 19495 1 223 . 1 1 38 38 LEU CD2 C 13 24.462 0.085 . 1 . . . . 604 LEU CD2 . 19495 1 224 . 1 1 38 38 LEU N N 15 128.189 0.014 . 1 . . . . 604 LEU N . 19495 1 225 . 1 1 39 39 GLY H H 1 8.673 0.002 . 1 . . . . 605 GLY H . 19495 1 226 . 1 1 39 39 GLY CA C 13 43.955 0.016 . 1 . . . . 605 GLY CA . 19495 1 227 . 1 1 39 39 GLY N N 15 111.156 0.020 . 1 . . . . 605 GLY N . 19495 1 228 . 1 1 40 40 PHE H H 1 8.025 0.001 . 1 . . . . 606 PHE H . 19495 1 229 . 1 1 40 40 PHE CA C 13 55.897 0.041 . 1 . . . . 606 PHE CA . 19495 1 230 . 1 1 40 40 PHE CB C 13 44.517 0.000 . 1 . . . . 606 PHE CB . 19495 1 231 . 1 1 40 40 PHE N N 15 114.617 0.013 . 1 . . . . 606 PHE N . 19495 1 232 . 1 1 41 41 SER H H 1 8.323 0.002 . 1 . . . . 607 SER H . 19495 1 233 . 1 1 41 41 SER CA C 13 57.987 0.065 . 1 . . . . 607 SER CA . 19495 1 234 . 1 1 41 41 SER CB C 13 64.808 0.023 . 1 . . . . 607 SER CB . 19495 1 235 . 1 1 41 41 SER N N 15 115.655 0.015 . 1 . . . . 607 SER N . 19495 1 236 . 1 1 42 42 ILE H H 1 8.968 0.002 . 1 . . . . 608 ILE H . 19495 1 237 . 1 1 42 42 ILE HG21 H 1 0.403 0.000 . 1 . . . . 608 ILE QG2 . 19495 1 238 . 1 1 42 42 ILE HG22 H 1 0.403 0.000 . 1 . . . . 608 ILE QG2 . 19495 1 239 . 1 1 42 42 ILE HG23 H 1 0.403 0.000 . 1 . . . . 608 ILE QG2 . 19495 1 240 . 1 1 42 42 ILE HD11 H 1 0.093 0.002 . 1 . . . . 608 ILE QD1 . 19495 1 241 . 1 1 42 42 ILE HD12 H 1 0.093 0.002 . 1 . . . . 608 ILE QD1 . 19495 1 242 . 1 1 42 42 ILE HD13 H 1 0.093 0.002 . 1 . . . . 608 ILE QD1 . 19495 1 243 . 1 1 42 42 ILE CA C 13 59.377 0.005 . 1 . . . . 608 ILE CA . 19495 1 244 . 1 1 42 42 ILE CB C 13 40.183 0.026 . 1 . . . . 608 ILE CB . 19495 1 245 . 1 1 42 42 ILE CG1 C 13 27.810 0.000 . 1 . . . . 608 ILE CG1 . 19495 1 246 . 1 1 42 42 ILE CG2 C 13 17.504 0.000 . 1 . . . . 608 ILE CG2 . 19495 1 247 . 1 1 42 42 ILE CD1 C 13 13.505 0.037 . 1 . . . . 608 ILE CD1 . 19495 1 248 . 1 1 42 42 ILE N N 15 125.299 0.032 . 1 . . . . 608 ILE N . 19495 1 249 . 1 1 43 43 GLU H H 1 9.077 0.002 . 1 . . . . 609 GLU H . 19495 1 250 . 1 1 43 43 GLU CA C 13 54.604 0.020 . 1 . . . . 609 GLU CA . 19495 1 251 . 1 1 43 43 GLU CB C 13 32.096 0.037 . 1 . . . . 609 GLU CB . 19495 1 252 . 1 1 43 43 GLU N N 15 128.200 0.024 . 1 . . . . 609 GLU N . 19495 1 253 . 1 1 44 44 GLY H H 1 8.429 0.001 . 1 . . . . 610 GLY H . 19495 1 254 . 1 1 44 44 GLY CA C 13 45.766 0.000 . 1 . . . . 610 GLY CA . 19495 1 255 . 1 1 44 44 GLY N N 15 111.650 0.020 . 1 . . . . 610 GLY N . 19495 1 256 . 1 1 45 45 PRO CA C 13 64.098 0.000 . 1 . . . . 611 PRO CA . 19495 1 257 . 1 1 45 45 PRO CB C 13 32.067 0.002 . 1 . . . . 611 PRO CB . 19495 1 258 . 1 1 45 45 PRO CG C 13 26.672 0.000 . 1 . . . . 611 PRO CG . 19495 1 259 . 1 1 45 45 PRO CD C 13 49.211 0.000 . 1 . . . . 611 PRO CD . 19495 1 260 . 1 1 46 46 SER H H 1 7.090 0.002 . 1 . . . . 612 SER H . 19495 1 261 . 1 1 46 46 SER CA C 13 57.193 0.000 . 1 . . . . 612 SER CA . 19495 1 262 . 1 1 46 46 SER CB C 13 67.217 0.000 . 1 . . . . 612 SER CB . 19495 1 263 . 1 1 46 46 SER N N 15 108.757 0.029 . 1 . . . . 612 SER N . 19495 1 264 . 1 1 47 47 GLN CA C 13 55.220 0.000 . 1 . . . . 613 GLN CA . 19495 1 265 . 1 1 47 47 GLN CB C 13 27.938 0.000 . 1 . . . . 613 GLN CB . 19495 1 266 . 1 1 48 48 ALA H H 1 8.177 0.002 . 1 . . . . 614 ALA H . 19495 1 267 . 1 1 48 48 ALA HB1 H 1 1.239 0.003 . 1 . . . . 614 ALA HB . 19495 1 268 . 1 1 48 48 ALA HB2 H 1 1.239 0.003 . 1 . . . . 614 ALA HB . 19495 1 269 . 1 1 48 48 ALA HB3 H 1 1.239 0.003 . 1 . . . . 614 ALA HB . 19495 1 270 . 1 1 48 48 ALA CA C 13 51.614 0.065 . 1 . . . . 614 ALA CA . 19495 1 271 . 1 1 48 48 ALA CB C 13 20.816 0.087 . 1 . . . . 614 ALA CB . 19495 1 272 . 1 1 48 48 ALA N N 15 128.264 0.030 . 1 . . . . 614 ALA N . 19495 1 273 . 1 1 49 49 LYS H H 1 8.747 0.001 . 1 . . . . 615 LYS H . 19495 1 274 . 1 1 49 49 LYS CA C 13 57.240 0.005 . 1 . . . . 615 LYS CA . 19495 1 275 . 1 1 49 49 LYS CB C 13 33.452 0.045 . 1 . . . . 615 LYS CB . 19495 1 276 . 1 1 49 49 LYS CG C 13 25.247 0.000 . 1 . . . . 615 LYS CG . 19495 1 277 . 1 1 49 49 LYS CD C 13 28.998 0.000 . 1 . . . . 615 LYS CD . 19495 1 278 . 1 1 49 49 LYS N N 15 125.193 0.015 . 1 . . . . 615 LYS N . 19495 1 279 . 1 1 50 50 ILE H H 1 8.381 0.002 . 1 . . . . 616 ILE H . 19495 1 280 . 1 1 50 50 ILE HG21 H 1 0.576 0.002 . 1 . . . . 616 ILE QG2 . 19495 1 281 . 1 1 50 50 ILE HG22 H 1 0.576 0.002 . 1 . . . . 616 ILE QG2 . 19495 1 282 . 1 1 50 50 ILE HG23 H 1 0.576 0.002 . 1 . . . . 616 ILE QG2 . 19495 1 283 . 1 1 50 50 ILE HD11 H 1 0.731 0.001 . 1 . . . . 616 ILE QD1 . 19495 1 284 . 1 1 50 50 ILE HD12 H 1 0.731 0.001 . 1 . . . . 616 ILE QD1 . 19495 1 285 . 1 1 50 50 ILE HD13 H 1 0.731 0.001 . 1 . . . . 616 ILE QD1 . 19495 1 286 . 1 1 50 50 ILE CA C 13 60.281 0.012 . 1 . . . . 616 ILE CA . 19495 1 287 . 1 1 50 50 ILE CB C 13 41.516 0.045 . 1 . . . . 616 ILE CB . 19495 1 288 . 1 1 50 50 ILE CG1 C 13 28.258 0.029 . 1 . . . . 616 ILE CG1 . 19495 1 289 . 1 1 50 50 ILE CG2 C 13 16.841 0.072 . 1 . . . . 616 ILE CG2 . 19495 1 290 . 1 1 50 50 ILE CD1 C 13 14.740 0.013 . 1 . . . . 616 ILE CD1 . 19495 1 291 . 1 1 50 50 ILE N N 15 123.530 0.031 . 1 . . . . 616 ILE N . 19495 1 292 . 1 1 51 51 GLU H H 1 9.360 0.002 . 1 . . . . 617 GLU H . 19495 1 293 . 1 1 51 51 GLU CA C 13 54.697 0.006 . 1 . . . . 617 GLU CA . 19495 1 294 . 1 1 51 51 GLU CB C 13 34.358 0.000 . 1 . . . . 617 GLU CB . 19495 1 295 . 1 1 51 51 GLU N N 15 126.458 0.014 . 1 . . . . 617 GLU N . 19495 1 296 . 1 1 52 52 CYS H H 1 8.469 0.002 . 1 . . . . 618 CYS H . 19495 1 297 . 1 1 52 52 CYS CA C 13 57.176 0.047 . 1 . . . . 618 CYS CA . 19495 1 298 . 1 1 52 52 CYS CB C 13 28.700 0.014 . 1 . . . . 618 CYS CB . 19495 1 299 . 1 1 52 52 CYS N N 15 120.520 0.034 . 1 . . . . 618 CYS N . 19495 1 300 . 1 1 53 53 ASP H H 1 9.349 0.003 . 1 . . . . 619 ASP H . 19495 1 301 . 1 1 53 53 ASP CA C 13 56.368 0.064 . 1 . . . . 619 ASP CA . 19495 1 302 . 1 1 53 53 ASP CB C 13 39.049 0.017 . 1 . . . . 619 ASP CB . 19495 1 303 . 1 1 53 53 ASP N N 15 130.693 0.080 . 1 . . . . 619 ASP N . 19495 1 304 . 1 1 54 54 ASP H H 1 8.424 0.003 . 1 . . . . 620 ASP H . 19495 1 305 . 1 1 54 54 ASP CA C 13 56.420 0.000 . 1 . . . . 620 ASP CA . 19495 1 306 . 1 1 54 54 ASP CB C 13 40.053 0.000 . 1 . . . . 620 ASP CB . 19495 1 307 . 1 1 54 54 ASP N N 15 108.658 0.010 . 1 . . . . 620 ASP N . 19495 1 308 . 1 1 55 55 LYS CA C 13 54.281 0.000 . 1 . . . . 621 LYS CA . 19495 1 309 . 1 1 55 55 LYS CB C 13 29.582 0.000 . 1 . . . . 621 LYS CB . 19495 1 310 . 1 1 56 56 GLY H H 1 9.129 0.002 . 1 . . . . 622 GLY H . 19495 1 311 . 1 1 56 56 GLY CA C 13 46.233 0.002 . 1 . . . . 622 GLY CA . 19495 1 312 . 1 1 56 56 GLY N N 15 108.749 0.042 . 1 . . . . 622 GLY N . 19495 1 313 . 1 1 57 57 ASP H H 1 7.993 0.002 . 1 . . . . 623 ASP H . 19495 1 314 . 1 1 57 57 ASP CA C 13 52.435 0.068 . 1 . . . . 623 ASP CA . 19495 1 315 . 1 1 57 57 ASP CB C 13 41.540 0.012 . 1 . . . . 623 ASP CB . 19495 1 316 . 1 1 57 57 ASP N N 15 119.247 0.022 . 1 . . . . 623 ASP N . 19495 1 317 . 1 1 58 58 GLY H H 1 9.048 0.003 . 1 . . . . 624 GLY H . 19495 1 318 . 1 1 58 58 GLY CA C 13 45.575 0.022 . 1 . . . . 624 GLY CA . 19495 1 319 . 1 1 58 58 GLY N N 15 110.905 0.015 . 1 . . . . 624 GLY N . 19495 1 320 . 1 1 59 59 SER H H 1 8.270 0.001 . 1 . . . . 625 SER H . 19495 1 321 . 1 1 59 59 SER CA C 13 56.218 0.025 . 1 . . . . 625 SER CA . 19495 1 322 . 1 1 59 59 SER CB C 13 68.749 0.070 . 1 . . . . 625 SER CB . 19495 1 323 . 1 1 59 59 SER N N 15 116.475 0.041 . 1 . . . . 625 SER N . 19495 1 324 . 1 1 60 60 CYS H H 1 9.047 0.002 . 1 . . . . 626 CYS H . 19495 1 325 . 1 1 60 60 CYS CA C 13 55.979 0.074 . 1 . . . . 626 CYS CA . 19495 1 326 . 1 1 60 60 CYS CB C 13 32.279 0.106 . 1 . . . . 626 CYS CB . 19495 1 327 . 1 1 60 60 CYS N N 15 114.539 0.032 . 1 . . . . 626 CYS N . 19495 1 328 . 1 1 61 61 ASP H H 1 8.376 0.004 . 1 . . . . 627 ASP H . 19495 1 329 . 1 1 61 61 ASP CA C 13 53.864 0.028 . 1 . . . . 627 ASP CA . 19495 1 330 . 1 1 61 61 ASP CB C 13 42.323 0.089 . 1 . . . . 627 ASP CB . 19495 1 331 . 1 1 61 61 ASP N N 15 122.478 0.026 . 1 . . . . 627 ASP N . 19495 1 332 . 1 1 62 62 VAL H H 1 8.282 0.003 . 1 . . . . 628 VAL H . 19495 1 333 . 1 1 62 62 VAL HG11 H 1 0.021 0.002 . 2 . . . . 628 VAL QG1 . 19495 1 334 . 1 1 62 62 VAL HG12 H 1 0.021 0.002 . 2 . . . . 628 VAL QG1 . 19495 1 335 . 1 1 62 62 VAL HG13 H 1 0.021 0.002 . 2 . . . . 628 VAL QG1 . 19495 1 336 . 1 1 62 62 VAL HG21 H 1 -0.365 0.000 . 2 . . . . 628 VAL QG2 . 19495 1 337 . 1 1 62 62 VAL HG22 H 1 -0.365 0.000 . 2 . . . . 628 VAL QG2 . 19495 1 338 . 1 1 62 62 VAL HG23 H 1 -0.365 0.000 . 2 . . . . 628 VAL QG2 . 19495 1 339 . 1 1 62 62 VAL CA C 13 59.718 0.065 . 1 . . . . 628 VAL CA . 19495 1 340 . 1 1 62 62 VAL CB C 13 32.372 0.071 . 1 . . . . 628 VAL CB . 19495 1 341 . 1 1 62 62 VAL CG1 C 13 22.204 0.064 . 1 . . . . 628 VAL CG1 . 19495 1 342 . 1 1 62 62 VAL CG2 C 13 21.377 0.020 . 1 . . . . 628 VAL CG2 . 19495 1 343 . 1 1 62 62 VAL N N 15 124.610 0.028 . 1 . . . . 628 VAL N . 19495 1 344 . 1 1 63 63 ARG H H 1 8.414 0.001 . 1 . . . . 629 ARG H . 19495 1 345 . 1 1 63 63 ARG CA C 13 53.657 0.002 . 1 . . . . 629 ARG CA . 19495 1 346 . 1 1 63 63 ARG CB C 13 33.626 0.017 . 1 . . . . 629 ARG CB . 19495 1 347 . 1 1 63 63 ARG N N 15 120.932 0.013 . 1 . . . . 629 ARG N . 19495 1 348 . 1 1 64 64 TYR H H 1 8.141 0.003 . 1 . . . . 630 TYR H . 19495 1 349 . 1 1 64 64 TYR CA C 13 54.538 0.016 . 1 . . . . 630 TYR CA . 19495 1 350 . 1 1 64 64 TYR CB C 13 42.117 0.036 . 1 . . . . 630 TYR CB . 19495 1 351 . 1 1 64 64 TYR N N 15 115.703 0.032 . 1 . . . . 630 TYR N . 19495 1 352 . 1 1 65 65 TRP H H 1 7.841 0.001 . 1 . . . . 631 TRP H . 19495 1 353 . 1 1 65 65 TRP CA C 13 54.714 0.000 . 1 . . . . 631 TRP CA . 19495 1 354 . 1 1 65 65 TRP CB C 13 29.743 0.000 . 1 . . . . 631 TRP CB . 19495 1 355 . 1 1 65 65 TRP N N 15 119.000 0.036 . 1 . . . . 631 TRP N . 19495 1 356 . 1 1 66 66 PRO CA C 13 62.744 0.000 . 1 . . . . 632 PRO CA . 19495 1 357 . 1 1 66 66 PRO CB C 13 33.166 0.000 . 1 . . . . 632 PRO CB . 19495 1 358 . 1 1 67 67 THR H H 1 8.899 0.004 . 1 . . . . 633 THR H . 19495 1 359 . 1 1 67 67 THR HG21 H 1 1.181 0.001 . 1 . . . . 633 THR QG2 . 19495 1 360 . 1 1 67 67 THR HG22 H 1 1.181 0.001 . 1 . . . . 633 THR QG2 . 19495 1 361 . 1 1 67 67 THR HG23 H 1 1.181 0.001 . 1 . . . . 633 THR QG2 . 19495 1 362 . 1 1 67 67 THR CA C 13 62.184 0.128 . 1 . . . . 633 THR CA . 19495 1 363 . 1 1 67 67 THR CB C 13 68.891 0.010 . 1 . . . . 633 THR CB . 19495 1 364 . 1 1 67 67 THR CG2 C 13 21.556 0.020 . 1 . . . . 633 THR CG2 . 19495 1 365 . 1 1 67 67 THR N N 15 113.161 0.013 . 1 . . . . 633 THR N . 19495 1 366 . 1 1 68 68 GLU H H 1 6.924 0.003 . 1 . . . . 634 GLU H . 19495 1 367 . 1 1 68 68 GLU CA C 13 53.100 0.000 . 1 . . . . 634 GLU CA . 19495 1 368 . 1 1 68 68 GLU CB C 13 32.957 0.000 . 1 . . . . 634 GLU CB . 19495 1 369 . 1 1 68 68 GLU N N 15 117.704 0.018 . 1 . . . . 634 GLU N . 19495 1 370 . 1 1 69 69 PRO CA C 13 62.910 0.078 . 1 . . . . 635 PRO CA . 19495 1 371 . 1 1 69 69 PRO CB C 13 32.218 0.000 . 1 . . . . 635 PRO CB . 19495 1 372 . 1 1 69 69 PRO CG C 13 26.768 0.000 . 1 . . . . 635 PRO CG . 19495 1 373 . 1 1 70 70 GLY H H 1 8.796 0.004 . 1 . . . . 636 GLY H . 19495 1 374 . 1 1 70 70 GLY CA C 13 44.196 0.049 . 1 . . . . 636 GLY CA . 19495 1 375 . 1 1 70 70 GLY N N 15 105.715 0.023 . 1 . . . . 636 GLY N . 19495 1 376 . 1 1 71 71 GLU H H 1 8.280 0.003 . 1 . . . . 637 GLU H . 19495 1 377 . 1 1 71 71 GLU CA C 13 55.775 0.011 . 1 . . . . 637 GLU CA . 19495 1 378 . 1 1 71 71 GLU CB C 13 30.988 0.131 . 1 . . . . 637 GLU CB . 19495 1 379 . 1 1 71 71 GLU CG C 13 37.316 0.000 . 1 . . . . 637 GLU CG . 19495 1 380 . 1 1 71 71 GLU N N 15 121.249 0.027 . 1 . . . . 637 GLU N . 19495 1 381 . 1 1 72 72 TYR H H 1 9.289 0.004 . 1 . . . . 638 TYR H . 19495 1 382 . 1 1 72 72 TYR CA C 13 56.199 0.020 . 1 . . . . 638 TYR CA . 19495 1 383 . 1 1 72 72 TYR CB C 13 40.314 0.095 . 1 . . . . 638 TYR CB . 19495 1 384 . 1 1 72 72 TYR N N 15 125.638 0.016 . 1 . . . . 638 TYR N . 19495 1 385 . 1 1 73 73 ALA H H 1 9.006 0.002 . 1 . . . . 639 ALA H . 19495 1 386 . 1 1 73 73 ALA HB1 H 1 1.062 0.003 . 1 . . . . 639 ALA HB . 19495 1 387 . 1 1 73 73 ALA HB2 H 1 1.062 0.003 . 1 . . . . 639 ALA HB . 19495 1 388 . 1 1 73 73 ALA HB3 H 1 1.062 0.003 . 1 . . . . 639 ALA HB . 19495 1 389 . 1 1 73 73 ALA CA C 13 50.184 0.007 . 1 . . . . 639 ALA CA . 19495 1 390 . 1 1 73 73 ALA CB C 13 19.311 0.057 . 1 . . . . 639 ALA CB . 19495 1 391 . 1 1 73 73 ALA N N 15 124.964 0.069 . 1 . . . . 639 ALA N . 19495 1 392 . 1 1 74 74 VAL H H 1 9.609 0.002 . 1 . . . . 640 VAL H . 19495 1 393 . 1 1 74 74 VAL HG11 H 1 0.367 0.001 . 2 . . . . 640 VAL QG1 . 19495 1 394 . 1 1 74 74 VAL HG12 H 1 0.367 0.001 . 2 . . . . 640 VAL QG1 . 19495 1 395 . 1 1 74 74 VAL HG13 H 1 0.367 0.001 . 2 . . . . 640 VAL QG1 . 19495 1 396 . 1 1 74 74 VAL HG21 H 1 0.505 0.002 . 2 . . . . 640 VAL QG2 . 19495 1 397 . 1 1 74 74 VAL HG22 H 1 0.505 0.002 . 2 . . . . 640 VAL QG2 . 19495 1 398 . 1 1 74 74 VAL HG23 H 1 0.505 0.002 . 2 . . . . 640 VAL QG2 . 19495 1 399 . 1 1 74 74 VAL CA C 13 62.095 0.097 . 1 . . . . 640 VAL CA . 19495 1 400 . 1 1 74 74 VAL CB C 13 32.418 0.037 . 1 . . . . 640 VAL CB . 19495 1 401 . 1 1 74 74 VAL CG1 C 13 20.213 0.009 . 1 . . . . 640 VAL CG1 . 19495 1 402 . 1 1 74 74 VAL CG2 C 13 19.601 0.011 . 1 . . . . 640 VAL CG2 . 19495 1 403 . 1 1 74 74 VAL N N 15 126.297 0.033 . 1 . . . . 640 VAL N . 19495 1 404 . 1 1 75 75 HIS H H 1 9.417 0.002 . 1 . . . . 641 HIS H . 19495 1 405 . 1 1 75 75 HIS CA C 13 54.745 0.037 . 1 . . . . 641 HIS CA . 19495 1 406 . 1 1 75 75 HIS CB C 13 28.459 0.005 . 1 . . . . 641 HIS CB . 19495 1 407 . 1 1 75 75 HIS N N 15 124.514 0.041 . 1 . . . . 641 HIS N . 19495 1 408 . 1 1 76 76 VAL H H 1 8.600 0.012 . 1 . . . . 642 VAL H . 19495 1 409 . 1 1 76 76 VAL HG11 H 1 1.006 0.002 . 2 . . . . 642 VAL QG1 . 19495 1 410 . 1 1 76 76 VAL HG12 H 1 1.006 0.002 . 2 . . . . 642 VAL QG1 . 19495 1 411 . 1 1 76 76 VAL HG13 H 1 1.006 0.002 . 2 . . . . 642 VAL QG1 . 19495 1 412 . 1 1 76 76 VAL HG21 H 1 0.895 0.001 . 2 . . . . 642 VAL QG2 . 19495 1 413 . 1 1 76 76 VAL HG22 H 1 0.895 0.001 . 2 . . . . 642 VAL QG2 . 19495 1 414 . 1 1 76 76 VAL HG23 H 1 0.895 0.001 . 2 . . . . 642 VAL QG2 . 19495 1 415 . 1 1 76 76 VAL CA C 13 62.397 0.015 . 1 . . . . 642 VAL CA . 19495 1 416 . 1 1 76 76 VAL CB C 13 33.067 0.025 . 1 . . . . 642 VAL CB . 19495 1 417 . 1 1 76 76 VAL CG1 C 13 20.523 0.032 . 1 . . . . 642 VAL CG1 . 19495 1 418 . 1 1 76 76 VAL CG2 C 13 21.654 0.029 . 1 . . . . 642 VAL CG2 . 19495 1 419 . 1 1 76 76 VAL N N 15 123.983 0.032 . 1 . . . . 642 VAL N . 19495 1 420 . 1 1 77 77 ILE H H 1 8.516 0.003 . 1 . . . . 643 ILE H . 19495 1 421 . 1 1 77 77 ILE HG21 H 1 0.653 0.000 . 1 . . . . 643 ILE QG2 . 19495 1 422 . 1 1 77 77 ILE HG22 H 1 0.653 0.000 . 1 . . . . 643 ILE QG2 . 19495 1 423 . 1 1 77 77 ILE HG23 H 1 0.653 0.000 . 1 . . . . 643 ILE QG2 . 19495 1 424 . 1 1 77 77 ILE HD11 H 1 0.374 0.002 . 1 . . . . 643 ILE QD1 . 19495 1 425 . 1 1 77 77 ILE HD12 H 1 0.374 0.002 . 1 . . . . 643 ILE QD1 . 19495 1 426 . 1 1 77 77 ILE HD13 H 1 0.374 0.002 . 1 . . . . 643 ILE QD1 . 19495 1 427 . 1 1 77 77 ILE CA C 13 59.322 0.055 . 1 . . . . 643 ILE CA . 19495 1 428 . 1 1 77 77 ILE CB C 13 39.913 0.087 . 1 . . . . 643 ILE CB . 19495 1 429 . 1 1 77 77 ILE CG2 C 13 18.444 0.001 . 1 . . . . 643 ILE CG2 . 19495 1 430 . 1 1 77 77 ILE CD1 C 13 13.111 0.038 . 1 . . . . 643 ILE CD1 . 19495 1 431 . 1 1 77 77 ILE N N 15 127.639 0.038 . 1 . . . . 643 ILE N . 19495 1 432 . 1 1 78 78 CYS H H 1 8.730 0.004 . 1 . . . . 644 CYS H . 19495 1 433 . 1 1 78 78 CYS CA C 13 57.205 0.010 . 1 . . . . 644 CYS CA . 19495 1 434 . 1 1 78 78 CYS CB C 13 28.740 0.151 . 1 . . . . 644 CYS CB . 19495 1 435 . 1 1 78 78 CYS N N 15 125.051 0.049 . 1 . . . . 644 CYS N . 19495 1 436 . 1 1 79 79 ASP H H 1 9.337 0.001 . 1 . . . . 645 ASP H . 19495 1 437 . 1 1 79 79 ASP CA C 13 52.658 0.008 . 1 . . . . 645 ASP CA . 19495 1 438 . 1 1 79 79 ASP CB C 13 42.996 0.072 . 1 . . . . 645 ASP CB . 19495 1 439 . 1 1 79 79 ASP N N 15 129.423 0.019 . 1 . . . . 645 ASP N . 19495 1 440 . 1 1 80 80 ASP H H 1 8.708 0.003 . 1 . . . . 646 ASP H . 19495 1 441 . 1 1 80 80 ASP CA C 13 54.737 0.001 . 1 . . . . 646 ASP CA . 19495 1 442 . 1 1 80 80 ASP CB C 13 41.122 0.033 . 1 . . . . 646 ASP CB . 19495 1 443 . 1 1 80 80 ASP N N 15 125.713 0.022 . 1 . . . . 646 ASP N . 19495 1 444 . 1 1 81 81 GLU H H 1 8.691 0.001 . 1 . . . . 647 GLU H . 19495 1 445 . 1 1 81 81 GLU CA C 13 54.649 0.000 . 1 . . . . 647 GLU CA . 19495 1 446 . 1 1 81 81 GLU CB C 13 29.446 0.000 . 1 . . . . 647 GLU CB . 19495 1 447 . 1 1 81 81 GLU N N 15 125.763 0.039 . 1 . . . . 647 GLU N . 19495 1 448 . 1 1 82 82 ASP CA C 13 54.587 0.000 . 1 . . . . 648 ASP CA . 19495 1 449 . 1 1 82 82 ASP CB C 13 41.285 0.000 . 1 . . . . 648 ASP CB . 19495 1 450 . 1 1 83 83 ILE H H 1 7.944 0.006 . 1 . . . . 649 ILE H . 19495 1 451 . 1 1 83 83 ILE HG21 H 1 0.762 0.000 . 1 . . . . 649 ILE QG2 . 19495 1 452 . 1 1 83 83 ILE HG22 H 1 0.762 0.000 . 1 . . . . 649 ILE QG2 . 19495 1 453 . 1 1 83 83 ILE HG23 H 1 0.762 0.000 . 1 . . . . 649 ILE QG2 . 19495 1 454 . 1 1 83 83 ILE HD11 H 1 0.766 0.003 . 1 . . . . 649 ILE QD1 . 19495 1 455 . 1 1 83 83 ILE HD12 H 1 0.766 0.003 . 1 . . . . 649 ILE QD1 . 19495 1 456 . 1 1 83 83 ILE HD13 H 1 0.766 0.003 . 1 . . . . 649 ILE QD1 . 19495 1 457 . 1 1 83 83 ILE CA C 13 61.300 0.026 . 1 . . . . 649 ILE CA . 19495 1 458 . 1 1 83 83 ILE CB C 13 38.984 0.096 . 1 . . . . 649 ILE CB . 19495 1 459 . 1 1 83 83 ILE CG1 C 13 27.285 0.044 . 1 . . . . 649 ILE CG1 . 19495 1 460 . 1 1 83 83 ILE CG2 C 13 17.590 0.032 . 1 . . . . 649 ILE CG2 . 19495 1 461 . 1 1 83 83 ILE CD1 C 13 13.161 0.068 . 1 . . . . 649 ILE CD1 . 19495 1 462 . 1 1 83 83 ILE N N 15 120.786 0.059 . 1 . . . . 649 ILE N . 19495 1 463 . 1 1 84 84 ARG H H 1 8.387 0.006 . 1 . . . . 650 ARG H . 19495 1 464 . 1 1 84 84 ARG CA C 13 56.625 0.000 . 1 . . . . 650 ARG CA . 19495 1 465 . 1 1 84 84 ARG CB C 13 30.528 0.000 . 1 . . . . 650 ARG CB . 19495 1 466 . 1 1 84 84 ARG N N 15 124.178 0.016 . 1 . . . . 650 ARG N . 19495 1 467 . 1 1 85 85 ASP CA C 13 56.364 0.000 . 1 . . . . 651 ASP CA . 19495 1 468 . 1 1 85 85 ASP CB C 13 40.043 0.000 . 1 . . . . 651 ASP CB . 19495 1 469 . 1 1 86 86 SER H H 1 7.403 0.003 . 1 . . . . 652 SER H . 19495 1 470 . 1 1 86 86 SER CA C 13 54.185 0.000 . 1 . . . . 652 SER CA . 19495 1 471 . 1 1 86 86 SER CB C 13 64.324 0.000 . 1 . . . . 652 SER CB . 19495 1 472 . 1 1 86 86 SER N N 15 111.257 0.025 . 1 . . . . 652 SER N . 19495 1 473 . 1 1 87 87 PRO CA C 13 61.284 0.000 . 1 . . . . 653 PRO CA . 19495 1 474 . 1 1 87 87 PRO CB C 13 32.886 0.089 . 1 . . . . 653 PRO CB . 19495 1 475 . 1 1 88 88 PHE H H 1 8.719 0.008 . 1 . . . . 654 PHE H . 19495 1 476 . 1 1 88 88 PHE CA C 13 56.736 0.014 . 1 . . . . 654 PHE CA . 19495 1 477 . 1 1 88 88 PHE CB C 13 40.976 0.050 . 1 . . . . 654 PHE CB . 19495 1 478 . 1 1 88 88 PHE N N 15 122.407 0.013 . 1 . . . . 654 PHE N . 19495 1 479 . 1 1 89 89 ILE H H 1 8.625 0.002 . 1 . . . . 655 ILE H . 19495 1 480 . 1 1 89 89 ILE HG21 H 1 0.494 0.000 . 1 . . . . 655 ILE QG2 . 19495 1 481 . 1 1 89 89 ILE HG22 H 1 0.494 0.000 . 1 . . . . 655 ILE QG2 . 19495 1 482 . 1 1 89 89 ILE HG23 H 1 0.494 0.000 . 1 . . . . 655 ILE QG2 . 19495 1 483 . 1 1 89 89 ILE HD11 H 1 0.482 0.003 . 1 . . . . 655 ILE QD1 . 19495 1 484 . 1 1 89 89 ILE HD12 H 1 0.482 0.003 . 1 . . . . 655 ILE QD1 . 19495 1 485 . 1 1 89 89 ILE HD13 H 1 0.482 0.003 . 1 . . . . 655 ILE QD1 . 19495 1 486 . 1 1 89 89 ILE CA C 13 58.835 0.032 . 1 . . . . 655 ILE CA . 19495 1 487 . 1 1 89 89 ILE CB C 13 35.473 0.065 . 1 . . . . 655 ILE CB . 19495 1 488 . 1 1 89 89 ILE CG1 C 13 26.435 0.042 . 1 . . . . 655 ILE CG1 . 19495 1 489 . 1 1 89 89 ILE CG2 C 13 17.349 0.075 . 1 . . . . 655 ILE CG2 . 19495 1 490 . 1 1 89 89 ILE CD1 C 13 9.759 0.038 . 1 . . . . 655 ILE CD1 . 19495 1 491 . 1 1 89 89 ILE N N 15 123.742 0.030 . 1 . . . . 655 ILE N . 19495 1 492 . 1 1 90 90 ALA H H 1 9.084 0.001 . 1 . . . . 656 ALA H . 19495 1 493 . 1 1 90 90 ALA HB1 H 1 0.901 0.000 . 1 . . . . 656 ALA HB . 19495 1 494 . 1 1 90 90 ALA HB2 H 1 0.901 0.000 . 1 . . . . 656 ALA HB . 19495 1 495 . 1 1 90 90 ALA HB3 H 1 0.901 0.000 . 1 . . . . 656 ALA HB . 19495 1 496 . 1 1 90 90 ALA CA C 13 50.085 0.043 . 1 . . . . 656 ALA CA . 19495 1 497 . 1 1 90 90 ALA CB C 13 21.302 0.054 . 1 . . . . 656 ALA CB . 19495 1 498 . 1 1 90 90 ALA N N 15 131.690 0.011 . 1 . . . . 656 ALA N . 19495 1 499 . 1 1 91 91 HIS H H 1 7.598 0.002 . 1 . . . . 657 HIS H . 19495 1 500 . 1 1 91 91 HIS CA C 13 55.134 0.025 . 1 . . . . 657 HIS CA . 19495 1 501 . 1 1 91 91 HIS CB C 13 30.227 0.030 . 1 . . . . 657 HIS CB . 19495 1 502 . 1 1 91 91 HIS N N 15 119.725 0.015 . 1 . . . . 657 HIS N . 19495 1 503 . 1 1 92 92 ILE H H 1 9.164 0.003 . 1 . . . . 658 ILE H . 19495 1 504 . 1 1 92 92 ILE HG21 H 1 0.419 0.001 . 1 . . . . 658 ILE QG2 . 19495 1 505 . 1 1 92 92 ILE HG22 H 1 0.419 0.001 . 1 . . . . 658 ILE QG2 . 19495 1 506 . 1 1 92 92 ILE HG23 H 1 0.419 0.001 . 1 . . . . 658 ILE QG2 . 19495 1 507 . 1 1 92 92 ILE HD11 H 1 0.235 0.000 . 1 . . . . 658 ILE QD1 . 19495 1 508 . 1 1 92 92 ILE HD12 H 1 0.235 0.000 . 1 . . . . 658 ILE QD1 . 19495 1 509 . 1 1 92 92 ILE HD13 H 1 0.235 0.000 . 1 . . . . 658 ILE QD1 . 19495 1 510 . 1 1 92 92 ILE CA C 13 57.842 0.035 . 1 . . . . 658 ILE CA . 19495 1 511 . 1 1 92 92 ILE CB C 13 35.165 0.105 . 1 . . . . 658 ILE CB . 19495 1 512 . 1 1 92 92 ILE CG1 C 13 27.381 0.022 . 1 . . . . 658 ILE CG1 . 19495 1 513 . 1 1 92 92 ILE CG2 C 13 17.104 0.017 . 1 . . . . 658 ILE CG2 . 19495 1 514 . 1 1 92 92 ILE CD1 C 13 6.968 0.001 . 1 . . . . 658 ILE CD1 . 19495 1 515 . 1 1 92 92 ILE N N 15 126.012 0.025 . 1 . . . . 658 ILE N . 19495 1 516 . 1 1 93 93 LEU H H 1 8.303 0.003 . 1 . . . . 659 LEU H . 19495 1 517 . 1 1 93 93 LEU HD11 H 1 0.875 0.000 . 2 . . . . 659 LEU QD1 . 19495 1 518 . 1 1 93 93 LEU HD12 H 1 0.875 0.000 . 2 . . . . 659 LEU QD1 . 19495 1 519 . 1 1 93 93 LEU HD13 H 1 0.875 0.000 . 2 . . . . 659 LEU QD1 . 19495 1 520 . 1 1 93 93 LEU HD21 H 1 0.766 0.000 . 2 . . . . 659 LEU QD2 . 19495 1 521 . 1 1 93 93 LEU HD22 H 1 0.766 0.000 . 2 . . . . 659 LEU QD2 . 19495 1 522 . 1 1 93 93 LEU HD23 H 1 0.766 0.000 . 2 . . . . 659 LEU QD2 . 19495 1 523 . 1 1 93 93 LEU CA C 13 53.140 0.024 . 1 . . . . 659 LEU CA . 19495 1 524 . 1 1 93 93 LEU CB C 13 42.132 0.038 . 1 . . . . 659 LEU CB . 19495 1 525 . 1 1 93 93 LEU CG C 13 27.486 0.000 . 1 . . . . 659 LEU CG . 19495 1 526 . 1 1 93 93 LEU CD1 C 13 25.207 0.008 . 1 . . . . 659 LEU CD1 . 19495 1 527 . 1 1 93 93 LEU CD2 C 13 22.857 0.002 . 1 . . . . 659 LEU CD2 . 19495 1 528 . 1 1 93 93 LEU N N 15 131.295 0.045 . 1 . . . . 659 LEU N . 19495 1 529 . 1 1 94 94 PRO CA C 13 62.804 0.023 . 1 . . . . 660 PRO CA . 19495 1 530 . 1 1 94 94 PRO CB C 13 31.803 0.136 . 1 . . . . 660 PRO CB . 19495 1 531 . 1 1 94 94 PRO CG C 13 27.938 0.000 . 1 . . . . 660 PRO CG . 19495 1 532 . 1 1 95 95 ALA H H 1 8.484 0.002 . 1 . . . . 661 ALA H . 19495 1 533 . 1 1 95 95 ALA HB1 H 1 1.345 0.002 . 1 . . . . 661 ALA HB . 19495 1 534 . 1 1 95 95 ALA HB2 H 1 1.345 0.002 . 1 . . . . 661 ALA HB . 19495 1 535 . 1 1 95 95 ALA HB3 H 1 1.345 0.002 . 1 . . . . 661 ALA HB . 19495 1 536 . 1 1 95 95 ALA CA C 13 50.064 0.038 . 1 . . . . 661 ALA CA . 19495 1 537 . 1 1 95 95 ALA CB C 13 18.576 0.072 . 1 . . . . 661 ALA CB . 19495 1 538 . 1 1 95 95 ALA N N 15 126.314 0.038 . 1 . . . . 661 ALA N . 19495 1 539 . 1 1 97 97 PRO CA C 13 63.715 0.000 . 1 . . . . 663 PRO CA . 19495 1 540 . 1 1 97 97 PRO CB C 13 31.992 0.000 . 1 . . . . 663 PRO CB . 19495 1 541 . 1 1 98 98 ASP H H 1 8.157 0.002 . 1 . . . . 664 ASP H . 19495 1 542 . 1 1 98 98 ASP CA C 13 52.661 0.006 . 1 . . . . 664 ASP CA . 19495 1 543 . 1 1 98 98 ASP CB C 13 40.014 0.022 . 1 . . . . 664 ASP CB . 19495 1 544 . 1 1 98 98 ASP N N 15 116.127 0.019 . 1 . . . . 664 ASP N . 19495 1 545 . 1 1 99 99 CYS H H 1 6.406 0.001 . 1 . . . . 665 CYS H . 19495 1 546 . 1 1 99 99 CYS CA C 13 58.392 0.005 . 1 . . . . 665 CYS CA . 19495 1 547 . 1 1 99 99 CYS CB C 13 29.470 0.005 . 1 . . . . 665 CYS CB . 19495 1 548 . 1 1 99 99 CYS N N 15 118.436 0.011 . 1 . . . . 665 CYS N . 19495 1 549 . 1 1 100 100 PHE H H 1 8.584 0.003 . 1 . . . . 666 PHE H . 19495 1 550 . 1 1 100 100 PHE CA C 13 53.621 0.000 . 1 . . . . 666 PHE CA . 19495 1 551 . 1 1 100 100 PHE CB C 13 39.063 0.000 . 1 . . . . 666 PHE CB . 19495 1 552 . 1 1 100 100 PHE N N 15 127.458 0.013 . 1 . . . . 666 PHE N . 19495 1 553 . 1 1 101 101 PRO CA C 13 65.544 0.000 . 1 . . . . 667 PRO CA . 19495 1 554 . 1 1 101 101 PRO CB C 13 31.792 0.146 . 1 . . . . 667 PRO CB . 19495 1 555 . 1 1 101 101 PRO CG C 13 27.749 0.000 . 1 . . . . 667 PRO CG . 19495 1 556 . 1 1 102 102 ASP H H 1 8.720 0.002 . 1 . . . . 668 ASP H . 19495 1 557 . 1 1 102 102 ASP CA C 13 54.533 0.000 . 1 . . . . 668 ASP CA . 19495 1 558 . 1 1 102 102 ASP CB C 13 39.274 0.085 . 1 . . . . 668 ASP CB . 19495 1 559 . 1 1 102 102 ASP N N 15 109.212 0.023 . 1 . . . . 668 ASP N . 19495 1 560 . 1 1 103 103 LYS H H 1 7.812 0.002 . 1 . . . . 669 LYS H . 19495 1 561 . 1 1 103 103 LYS CA C 13 54.687 0.016 . 1 . . . . 669 LYS CA . 19495 1 562 . 1 1 103 103 LYS CB C 13 32.701 0.095 . 1 . . . . 669 LYS CB . 19495 1 563 . 1 1 103 103 LYS CG C 13 25.012 0.000 . 1 . . . . 669 LYS CG . 19495 1 564 . 1 1 103 103 LYS CD C 13 28.205 0.000 . 1 . . . . 669 LYS CD . 19495 1 565 . 1 1 103 103 LYS N N 15 117.247 0.032 . 1 . . . . 669 LYS N . 19495 1 566 . 1 1 104 104 VAL H H 1 7.280 0.003 . 1 . . . . 670 VAL H . 19495 1 567 . 1 1 104 104 VAL HG11 H 1 0.206 0.003 . 2 . . . . 670 VAL QG1 . 19495 1 568 . 1 1 104 104 VAL HG12 H 1 0.206 0.003 . 2 . . . . 670 VAL QG1 . 19495 1 569 . 1 1 104 104 VAL HG13 H 1 0.206 0.003 . 2 . . . . 670 VAL QG1 . 19495 1 570 . 1 1 104 104 VAL HG21 H 1 0.492 0.003 . 2 . . . . 670 VAL QG2 . 19495 1 571 . 1 1 104 104 VAL HG22 H 1 0.492 0.003 . 2 . . . . 670 VAL QG2 . 19495 1 572 . 1 1 104 104 VAL HG23 H 1 0.492 0.003 . 2 . . . . 670 VAL QG2 . 19495 1 573 . 1 1 104 104 VAL CA C 13 64.237 0.044 . 1 . . . . 670 VAL CA . 19495 1 574 . 1 1 104 104 VAL CB C 13 31.633 0.036 . 1 . . . . 670 VAL CB . 19495 1 575 . 1 1 104 104 VAL CG1 C 13 23.602 0.045 . 1 . . . . 670 VAL CG1 . 19495 1 576 . 1 1 104 104 VAL CG2 C 13 21.830 0.065 . 1 . . . . 670 VAL CG2 . 19495 1 577 . 1 1 104 104 VAL N N 15 122.250 0.034 . 1 . . . . 670 VAL N . 19495 1 578 . 1 1 105 105 LYS H H 1 8.350 0.002 . 1 . . . . 671 LYS H . 19495 1 579 . 1 1 105 105 LYS CA C 13 55.114 0.001 . 1 . . . . 671 LYS CA . 19495 1 580 . 1 1 105 105 LYS CB C 13 35.464 0.063 . 1 . . . . 671 LYS CB . 19495 1 581 . 1 1 105 105 LYS CG C 13 24.652 0.000 . 1 . . . . 671 LYS CG . 19495 1 582 . 1 1 105 105 LYS CD C 13 29.182 0.000 . 1 . . . . 671 LYS CD . 19495 1 583 . 1 1 105 105 LYS N N 15 128.749 0.032 . 1 . . . . 671 LYS N . 19495 1 584 . 1 1 106 106 ALA H H 1 8.363 0.002 . 1 . . . . 672 ALA H . 19495 1 585 . 1 1 106 106 ALA HB1 H 1 1.015 0.000 . 1 . . . . 672 ALA HB . 19495 1 586 . 1 1 106 106 ALA HB2 H 1 1.015 0.000 . 1 . . . . 672 ALA HB . 19495 1 587 . 1 1 106 106 ALA HB3 H 1 1.015 0.000 . 1 . . . . 672 ALA HB . 19495 1 588 . 1 1 106 106 ALA CA C 13 50.662 0.004 . 1 . . . . 672 ALA CA . 19495 1 589 . 1 1 106 106 ALA CB C 13 21.886 0.050 . 1 . . . . 672 ALA CB . 19495 1 590 . 1 1 106 106 ALA N N 15 127.409 0.015 . 1 . . . . 672 ALA N . 19495 1 591 . 1 1 107 107 PHE H H 1 8.316 0.003 . 1 . . . . 673 PHE H . 19495 1 592 . 1 1 107 107 PHE CA C 13 56.184 0.006 . 1 . . . . 673 PHE CA . 19495 1 593 . 1 1 107 107 PHE CB C 13 40.218 0.034 . 1 . . . . 673 PHE CB . 19495 1 594 . 1 1 107 107 PHE N N 15 117.896 0.007 . 1 . . . . 673 PHE N . 19495 1 595 . 1 1 108 108 GLY H H 1 8.786 0.002 . 1 . . . . 674 GLY H . 19495 1 596 . 1 1 108 108 GLY CA C 13 44.602 0.000 . 1 . . . . 674 GLY CA . 19495 1 597 . 1 1 108 108 GLY N N 15 109.933 0.020 . 1 . . . . 674 GLY N . 19495 1 598 . 1 1 109 109 PRO CA C 13 65.755 0.000 . 1 . . . . 675 PRO CA . 19495 1 599 . 1 1 109 109 PRO CB C 13 31.984 0.000 . 1 . . . . 675 PRO CB . 19495 1 600 . 1 1 110 110 GLY H H 1 9.134 0.002 . 1 . . . . 676 GLY H . 19495 1 601 . 1 1 110 110 GLY CA C 13 46.118 0.032 . 1 . . . . 676 GLY CA . 19495 1 602 . 1 1 110 110 GLY N N 15 101.605 0.015 . 1 . . . . 676 GLY N . 19495 1 603 . 1 1 111 111 LEU H H 1 7.579 0.001 . 1 . . . . 677 LEU H . 19495 1 604 . 1 1 111 111 LEU HD11 H 1 -0.756 0.054 . 2 . . . . 677 LEU QD1 . 19495 1 605 . 1 1 111 111 LEU HD12 H 1 -0.756 0.054 . 2 . . . . 677 LEU QD1 . 19495 1 606 . 1 1 111 111 LEU HD13 H 1 -0.756 0.054 . 2 . . . . 677 LEU QD1 . 19495 1 607 . 1 1 111 111 LEU HD21 H 1 -0.831 0.000 . 2 . . . . 677 LEU QD2 . 19495 1 608 . 1 1 111 111 LEU HD22 H 1 -0.831 0.000 . 2 . . . . 677 LEU QD2 . 19495 1 609 . 1 1 111 111 LEU HD23 H 1 -0.831 0.000 . 2 . . . . 677 LEU QD2 . 19495 1 610 . 1 1 111 111 LEU CA C 13 53.236 0.059 . 1 . . . . 677 LEU CA . 19495 1 611 . 1 1 111 111 LEU CB C 13 41.526 0.038 . 1 . . . . 677 LEU CB . 19495 1 612 . 1 1 111 111 LEU CG C 13 28.360 0.000 . 1 . . . . 677 LEU CG . 19495 1 613 . 1 1 111 111 LEU CD1 C 13 24.483 0.091 . 1 . . . . 677 LEU CD1 . 19495 1 614 . 1 1 111 111 LEU CD2 C 13 19.404 0.013 . 1 . . . . 677 LEU CD2 . 19495 1 615 . 1 1 111 111 LEU N N 15 114.715 0.017 . 1 . . . . 677 LEU N . 19495 1 616 . 1 1 112 112 GLU H H 1 7.324 0.002 . 1 . . . . 678 GLU H . 19495 1 617 . 1 1 112 112 GLU CA C 13 54.964 0.000 . 1 . . . . 678 GLU CA . 19495 1 618 . 1 1 112 112 GLU CB C 13 29.919 0.000 . 1 . . . . 678 GLU CB . 19495 1 619 . 1 1 112 112 GLU N N 15 123.555 0.029 . 1 . . . . 678 GLU N . 19495 1 620 . 1 1 113 113 PRO CA C 13 65.936 0.095 . 1 . . . . 679 PRO CA . 19495 1 621 . 1 1 113 113 PRO CB C 13 32.833 0.096 . 1 . . . . 679 PRO CB . 19495 1 622 . 1 1 113 113 PRO CG C 13 27.833 0.000 . 1 . . . . 679 PRO CG . 19495 1 623 . 1 1 114 114 THR H H 1 7.418 0.003 . 1 . . . . 680 THR H . 19495 1 624 . 1 1 114 114 THR HG21 H 1 1.114 0.000 . 1 . . . . 680 THR QG2 . 19495 1 625 . 1 1 114 114 THR HG22 H 1 1.114 0.000 . 1 . . . . 680 THR QG2 . 19495 1 626 . 1 1 114 114 THR HG23 H 1 1.114 0.000 . 1 . . . . 680 THR QG2 . 19495 1 627 . 1 1 114 114 THR CA C 13 60.785 0.059 . 1 . . . . 680 THR CA . 19495 1 628 . 1 1 114 114 THR CB C 13 71.784 0.067 . 1 . . . . 680 THR CB . 19495 1 629 . 1 1 114 114 THR CG2 C 13 21.589 0.082 . 1 . . . . 680 THR CG2 . 19495 1 630 . 1 1 114 114 THR N N 15 106.000 0.026 . 1 . . . . 680 THR N . 19495 1 631 . 1 1 115 115 GLY H H 1 8.449 0.002 . 1 . . . . 681 GLY H . 19495 1 632 . 1 1 115 115 GLY CA C 13 45.174 0.015 . 1 . . . . 681 GLY CA . 19495 1 633 . 1 1 115 115 GLY N N 15 109.688 0.015 . 1 . . . . 681 GLY N . 19495 1 634 . 1 1 116 116 CYS H H 1 8.909 0.002 . 1 . . . . 682 CYS H . 19495 1 635 . 1 1 116 116 CYS CA C 13 61.807 0.012 . 1 . . . . 682 CYS CA . 19495 1 636 . 1 1 116 116 CYS CB C 13 27.850 0.074 . 1 . . . . 682 CYS CB . 19495 1 637 . 1 1 116 116 CYS N N 15 120.932 0.011 . 1 . . . . 682 CYS N . 19495 1 638 . 1 1 117 117 ILE H H 1 8.351 0.001 . 1 . . . . 683 ILE H . 19495 1 639 . 1 1 117 117 ILE HG21 H 1 0.742 0.000 . 1 . . . . 683 ILE QG2 . 19495 1 640 . 1 1 117 117 ILE HG22 H 1 0.742 0.000 . 1 . . . . 683 ILE QG2 . 19495 1 641 . 1 1 117 117 ILE HG23 H 1 0.742 0.000 . 1 . . . . 683 ILE QG2 . 19495 1 642 . 1 1 117 117 ILE HD11 H 1 0.625 0.002 . 1 . . . . 683 ILE QD1 . 19495 1 643 . 1 1 117 117 ILE HD12 H 1 0.625 0.002 . 1 . . . . 683 ILE QD1 . 19495 1 644 . 1 1 117 117 ILE HD13 H 1 0.625 0.002 . 1 . . . . 683 ILE QD1 . 19495 1 645 . 1 1 117 117 ILE CA C 13 59.227 0.020 . 1 . . . . 683 ILE CA . 19495 1 646 . 1 1 117 117 ILE CB C 13 41.727 0.056 . 1 . . . . 683 ILE CB . 19495 1 647 . 1 1 117 117 ILE CG1 C 13 26.305 0.069 . 1 . . . . 683 ILE CG1 . 19495 1 648 . 1 1 117 117 ILE CG2 C 13 17.201 0.076 . 1 . . . . 683 ILE CG2 . 19495 1 649 . 1 1 117 117 ILE CD1 C 13 12.587 0.019 . 1 . . . . 683 ILE CD1 . 19495 1 650 . 1 1 117 117 ILE N N 15 122.539 0.026 . 1 . . . . 683 ILE N . 19495 1 651 . 1 1 118 118 VAL H H 1 7.661 0.002 . 1 . . . . 684 VAL H . 19495 1 652 . 1 1 118 118 VAL HG11 H 1 0.637 0.002 . 2 . . . . 684 VAL QG1 . 19495 1 653 . 1 1 118 118 VAL HG12 H 1 0.637 0.002 . 2 . . . . 684 VAL QG1 . 19495 1 654 . 1 1 118 118 VAL HG13 H 1 0.637 0.002 . 2 . . . . 684 VAL QG1 . 19495 1 655 . 1 1 118 118 VAL HG21 H 1 0.659 0.002 . 2 . . . . 684 VAL QG2 . 19495 1 656 . 1 1 118 118 VAL HG22 H 1 0.659 0.002 . 2 . . . . 684 VAL QG2 . 19495 1 657 . 1 1 118 118 VAL HG23 H 1 0.659 0.002 . 2 . . . . 684 VAL QG2 . 19495 1 658 . 1 1 118 118 VAL CA C 13 63.399 0.062 . 1 . . . . 684 VAL CA . 19495 1 659 . 1 1 118 118 VAL CB C 13 32.544 0.047 . 1 . . . . 684 VAL CB . 19495 1 660 . 1 1 118 118 VAL CG1 C 13 21.810 0.048 . 1 . . . . 684 VAL CG1 . 19495 1 661 . 1 1 118 118 VAL CG2 C 13 21.256 0.053 . 1 . . . . 684 VAL CG2 . 19495 1 662 . 1 1 118 118 VAL N N 15 121.031 0.039 . 1 . . . . 684 VAL N . 19495 1 663 . 1 1 119 119 ASP H H 1 8.891 0.003 . 1 . . . . 685 ASP H . 19495 1 664 . 1 1 119 119 ASP CA C 13 56.719 0.010 . 1 . . . . 685 ASP CA . 19495 1 665 . 1 1 119 119 ASP CB C 13 39.133 0.020 . 1 . . . . 685 ASP CB . 19495 1 666 . 1 1 119 119 ASP N N 15 115.778 0.036 . 1 . . . . 685 ASP N . 19495 1 667 . 1 1 120 120 LYS H H 1 7.644 0.002 . 1 . . . . 686 LYS H . 19495 1 668 . 1 1 120 120 LYS CA C 13 52.578 0.000 . 1 . . . . 686 LYS CA . 19495 1 669 . 1 1 120 120 LYS CB C 13 33.569 0.000 . 1 . . . . 686 LYS CB . 19495 1 670 . 1 1 120 120 LYS N N 15 120.284 0.035 . 1 . . . . 686 LYS N . 19495 1 671 . 1 1 121 121 PRO CA C 13 63.878 0.068 . 1 . . . . 687 PRO CA . 19495 1 672 . 1 1 121 121 PRO CB C 13 31.774 0.146 . 1 . . . . 687 PRO CB . 19495 1 673 . 1 1 121 121 PRO CG C 13 27.885 0.000 . 1 . . . . 687 PRO CG . 19495 1 674 . 1 1 122 122 ALA H H 1 9.249 0.002 . 1 . . . . 688 ALA H . 19495 1 675 . 1 1 122 122 ALA HB1 H 1 0.455 0.003 . 1 . . . . 688 ALA HB . 19495 1 676 . 1 1 122 122 ALA HB2 H 1 0.455 0.003 . 1 . . . . 688 ALA HB . 19495 1 677 . 1 1 122 122 ALA HB3 H 1 0.455 0.003 . 1 . . . . 688 ALA HB . 19495 1 678 . 1 1 122 122 ALA CA C 13 50.705 0.008 . 1 . . . . 688 ALA CA . 19495 1 679 . 1 1 122 122 ALA CB C 13 19.111 0.086 . 1 . . . . 688 ALA CB . 19495 1 680 . 1 1 122 122 ALA N N 15 131.620 0.041 . 1 . . . . 688 ALA N . 19495 1 681 . 1 1 123 123 GLU H H 1 7.875 0.002 . 1 . . . . 689 GLU H . 19495 1 682 . 1 1 123 123 GLU CA C 13 54.760 0.057 . 1 . . . . 689 GLU CA . 19495 1 683 . 1 1 123 123 GLU CB C 13 33.474 0.033 . 1 . . . . 689 GLU CB . 19495 1 684 . 1 1 123 123 GLU CG C 13 36.758 0.000 . 1 . . . . 689 GLU CG . 19495 1 685 . 1 1 123 123 GLU N N 15 119.740 0.028 . 1 . . . . 689 GLU N . 19495 1 686 . 1 1 124 124 PHE H H 1 8.717 0.002 . 1 . . . . 690 PHE H . 19495 1 687 . 1 1 124 124 PHE CA C 13 57.136 0.027 . 1 . . . . 690 PHE CA . 19495 1 688 . 1 1 124 124 PHE CB C 13 40.043 0.030 . 1 . . . . 690 PHE CB . 19495 1 689 . 1 1 124 124 PHE N N 15 115.293 0.033 . 1 . . . . 690 PHE N . 19495 1 690 . 1 1 125 125 THR H H 1 9.066 0.003 . 1 . . . . 691 THR H . 19495 1 691 . 1 1 125 125 THR HG21 H 1 0.897 0.001 . 1 . . . . 691 THR QG2 . 19495 1 692 . 1 1 125 125 THR HG22 H 1 0.897 0.001 . 1 . . . . 691 THR QG2 . 19495 1 693 . 1 1 125 125 THR HG23 H 1 0.897 0.001 . 1 . . . . 691 THR QG2 . 19495 1 694 . 1 1 125 125 THR CA C 13 61.344 0.045 . 1 . . . . 691 THR CA . 19495 1 695 . 1 1 125 125 THR CB C 13 71.401 0.043 . 1 . . . . 691 THR CB . 19495 1 696 . 1 1 125 125 THR CG2 C 13 21.302 0.027 . 1 . . . . 691 THR CG2 . 19495 1 697 . 1 1 125 125 THR N N 15 117.695 0.020 . 1 . . . . 691 THR N . 19495 1 698 . 1 1 126 126 ILE H H 1 8.598 0.003 . 1 . . . . 692 ILE H . 19495 1 699 . 1 1 126 126 ILE HG21 H 1 0.660 0.002 . 1 . . . . 692 ILE QG2 . 19495 1 700 . 1 1 126 126 ILE HG22 H 1 0.660 0.002 . 1 . . . . 692 ILE QG2 . 19495 1 701 . 1 1 126 126 ILE HG23 H 1 0.660 0.002 . 1 . . . . 692 ILE QG2 . 19495 1 702 . 1 1 126 126 ILE HD11 H 1 0.876 0.000 . 1 . . . . 692 ILE QD1 . 19495 1 703 . 1 1 126 126 ILE HD12 H 1 0.876 0.000 . 1 . . . . 692 ILE QD1 . 19495 1 704 . 1 1 126 126 ILE HD13 H 1 0.876 0.000 . 1 . . . . 692 ILE QD1 . 19495 1 705 . 1 1 126 126 ILE CA C 13 60.697 0.079 . 1 . . . . 692 ILE CA . 19495 1 706 . 1 1 126 126 ILE CB C 13 40.886 0.081 . 1 . . . . 692 ILE CB . 19495 1 707 . 1 1 126 126 ILE CG1 C 13 27.492 0.000 . 1 . . . . 692 ILE CG1 . 19495 1 708 . 1 1 126 126 ILE CG2 C 13 17.316 0.160 . 1 . . . . 692 ILE CG2 . 19495 1 709 . 1 1 126 126 ILE CD1 C 13 17.039 0.000 . 1 . . . . 692 ILE CD1 . 19495 1 710 . 1 1 126 126 ILE N N 15 122.007 0.025 . 1 . . . . 692 ILE N . 19495 1 711 . 1 1 127 127 ASP H H 1 9.726 0.005 . 1 . . . . 693 ASP H . 19495 1 712 . 1 1 127 127 ASP CA C 13 53.146 0.001 . 1 . . . . 693 ASP CA . 19495 1 713 . 1 1 127 127 ASP CB C 13 41.925 0.116 . 1 . . . . 693 ASP CB . 19495 1 714 . 1 1 127 127 ASP N N 15 127.514 0.033 . 1 . . . . 693 ASP N . 19495 1 715 . 1 1 128 128 ALA H H 1 8.725 0.002 . 1 . . . . 694 ALA H . 19495 1 716 . 1 1 128 128 ALA HB1 H 1 0.640 0.002 . 1 . . . . 694 ALA HB . 19495 1 717 . 1 1 128 128 ALA HB2 H 1 0.640 0.002 . 1 . . . . 694 ALA HB . 19495 1 718 . 1 1 128 128 ALA HB3 H 1 0.640 0.002 . 1 . . . . 694 ALA HB . 19495 1 719 . 1 1 128 128 ALA CA C 13 50.397 0.073 . 1 . . . . 694 ALA CA . 19495 1 720 . 1 1 128 128 ALA CB C 13 19.726 0.087 . 1 . . . . 694 ALA CB . 19495 1 721 . 1 1 128 128 ALA N N 15 130.481 0.019 . 1 . . . . 694 ALA N . 19495 1 722 . 1 1 129 129 ARG H H 1 8.472 0.002 . 1 . . . . 695 ARG H . 19495 1 723 . 1 1 129 129 ARG CA C 13 60.826 0.062 . 1 . . . . 695 ARG CA . 19495 1 724 . 1 1 129 129 ARG CB C 13 30.791 0.093 . 1 . . . . 695 ARG CB . 19495 1 725 . 1 1 129 129 ARG CG C 13 27.228 0.000 . 1 . . . . 695 ARG CG . 19495 1 726 . 1 1 129 129 ARG N N 15 122.255 0.029 . 1 . . . . 695 ARG N . 19495 1 727 . 1 1 130 130 ALA H H 1 8.512 0.003 . 1 . . . . 696 ALA H . 19495 1 728 . 1 1 130 130 ALA HB1 H 1 1.226 0.000 . 1 . . . . 696 ALA HB . 19495 1 729 . 1 1 130 130 ALA HB2 H 1 1.226 0.000 . 1 . . . . 696 ALA HB . 19495 1 730 . 1 1 130 130 ALA HB3 H 1 1.226 0.000 . 1 . . . . 696 ALA HB . 19495 1 731 . 1 1 130 130 ALA CA C 13 50.988 0.100 . 1 . . . . 696 ALA CA . 19495 1 732 . 1 1 130 130 ALA CB C 13 19.321 0.068 . 1 . . . . 696 ALA CB . 19495 1 733 . 1 1 130 130 ALA N N 15 118.980 0.028 . 1 . . . . 696 ALA N . 19495 1 734 . 1 1 131 131 ALA H H 1 7.186 0.002 . 1 . . . . 697 ALA H . 19495 1 735 . 1 1 131 131 ALA HB1 H 1 0.350 0.000 . 1 . . . . 697 ALA HB . 19495 1 736 . 1 1 131 131 ALA HB2 H 1 0.350 0.000 . 1 . . . . 697 ALA HB . 19495 1 737 . 1 1 131 131 ALA HB3 H 1 0.350 0.000 . 1 . . . . 697 ALA HB . 19495 1 738 . 1 1 131 131 ALA CA C 13 52.631 0.039 . 1 . . . . 697 ALA CA . 19495 1 739 . 1 1 131 131 ALA CB C 13 20.291 0.064 . 1 . . . . 697 ALA CB . 19495 1 740 . 1 1 131 131 ALA N N 15 119.612 0.032 . 1 . . . . 697 ALA N . 19495 1 741 . 1 1 132 132 GLY H H 1 8.808 0.002 . 1 . . . . 698 GLY H . 19495 1 742 . 1 1 132 132 GLY CA C 13 45.626 0.026 . 1 . . . . 698 GLY CA . 19495 1 743 . 1 1 132 132 GLY N N 15 112.486 0.036 . 1 . . . . 698 GLY N . 19495 1 744 . 1 1 133 133 LYS H H 1 8.854 0.002 . 1 . . . . 699 LYS H . 19495 1 745 . 1 1 133 133 LYS CA C 13 55.185 0.010 . 1 . . . . 699 LYS CA . 19495 1 746 . 1 1 133 133 LYS CB C 13 33.820 0.151 . 1 . . . . 699 LYS CB . 19495 1 747 . 1 1 133 133 LYS CG C 13 24.764 0.000 . 1 . . . . 699 LYS CG . 19495 1 748 . 1 1 133 133 LYS CD C 13 28.738 0.000 . 1 . . . . 699 LYS CD . 19495 1 749 . 1 1 133 133 LYS CE C 13 42.143 0.000 . 1 . . . . 699 LYS CE . 19495 1 750 . 1 1 133 133 LYS N N 15 125.215 0.014 . 1 . . . . 699 LYS N . 19495 1 751 . 1 1 134 134 GLY H H 1 7.593 0.001 . 1 . . . . 700 GLY H . 19495 1 752 . 1 1 134 134 GLY CA C 13 43.918 0.123 . 1 . . . . 700 GLY CA . 19495 1 753 . 1 1 134 134 GLY N N 15 110.025 0.037 . 1 . . . . 700 GLY N . 19495 1 754 . 1 1 135 135 ASP H H 1 7.165 0.001 . 1 . . . . 701 ASP H . 19495 1 755 . 1 1 135 135 ASP CA C 13 52.680 0.010 . 1 . . . . 701 ASP CA . 19495 1 756 . 1 1 135 135 ASP CB C 13 41.955 0.096 . 1 . . . . 701 ASP CB . 19495 1 757 . 1 1 135 135 ASP N N 15 114.953 0.015 . 1 . . . . 701 ASP N . 19495 1 758 . 1 1 136 136 LEU H H 1 8.573 0.001 . 1 . . . . 702 LEU H . 19495 1 759 . 1 1 136 136 LEU HD11 H 1 -0.013 0.000 . 2 . . . . 702 LEU QD1 . 19495 1 760 . 1 1 136 136 LEU HD12 H 1 -0.013 0.000 . 2 . . . . 702 LEU QD1 . 19495 1 761 . 1 1 136 136 LEU HD13 H 1 -0.013 0.000 . 2 . . . . 702 LEU QD1 . 19495 1 762 . 1 1 136 136 LEU HD21 H 1 0.768 0.000 . 2 . . . . 702 LEU QD2 . 19495 1 763 . 1 1 136 136 LEU HD22 H 1 0.768 0.000 . 2 . . . . 702 LEU QD2 . 19495 1 764 . 1 1 136 136 LEU HD23 H 1 0.768 0.000 . 2 . . . . 702 LEU QD2 . 19495 1 765 . 1 1 136 136 LEU CA C 13 54.158 0.020 . 1 . . . . 702 LEU CA . 19495 1 766 . 1 1 136 136 LEU CB C 13 43.465 0.081 . 1 . . . . 702 LEU CB . 19495 1 767 . 1 1 136 136 LEU CG C 13 26.813 0.000 . 1 . . . . 702 LEU CG . 19495 1 768 . 1 1 136 136 LEU CD1 C 13 24.790 0.046 . 1 . . . . 702 LEU CD1 . 19495 1 769 . 1 1 136 136 LEU CD2 C 13 23.413 0.004 . 1 . . . . 702 LEU CD2 . 19495 1 770 . 1 1 136 136 LEU N N 15 127.138 0.021 . 1 . . . . 702 LEU N . 19495 1 771 . 1 1 137 137 LYS H H 1 8.422 0.003 . 1 . . . . 703 LYS H . 19495 1 772 . 1 1 137 137 LYS CA C 13 57.156 0.035 . 1 . . . . 703 LYS CA . 19495 1 773 . 1 1 137 137 LYS CB C 13 35.678 0.040 . 1 . . . . 703 LYS CB . 19495 1 774 . 1 1 137 137 LYS N N 15 126.873 0.031 . 1 . . . . 703 LYS N . 19495 1 775 . 1 1 138 138 LEU H H 1 8.916 0.002 . 1 . . . . 704 LEU H . 19495 1 776 . 1 1 138 138 LEU HD11 H 1 0.836 0.002 . 2 . . . . 704 LEU QD1 . 19495 1 777 . 1 1 138 138 LEU HD12 H 1 0.836 0.002 . 2 . . . . 704 LEU QD1 . 19495 1 778 . 1 1 138 138 LEU HD13 H 1 0.836 0.002 . 2 . . . . 704 LEU QD1 . 19495 1 779 . 1 1 138 138 LEU HD21 H 1 0.763 0.000 . 2 . . . . 704 LEU QD2 . 19495 1 780 . 1 1 138 138 LEU HD22 H 1 0.763 0.000 . 2 . . . . 704 LEU QD2 . 19495 1 781 . 1 1 138 138 LEU HD23 H 1 0.763 0.000 . 2 . . . . 704 LEU QD2 . 19495 1 782 . 1 1 138 138 LEU CA C 13 54.224 0.019 . 1 . . . . 704 LEU CA . 19495 1 783 . 1 1 138 138 LEU CB C 13 43.461 0.101 . 1 . . . . 704 LEU CB . 19495 1 784 . 1 1 138 138 LEU CG C 13 29.651 0.000 . 1 . . . . 704 LEU CG . 19495 1 785 . 1 1 138 138 LEU CD1 C 13 26.692 0.087 . 1 . . . . 704 LEU CD1 . 19495 1 786 . 1 1 138 138 LEU CD2 C 13 25.704 0.080 . 1 . . . . 704 LEU CD2 . 19495 1 787 . 1 1 138 138 LEU N N 15 129.493 0.025 . 1 . . . . 704 LEU N . 19495 1 788 . 1 1 139 139 TYR H H 1 9.220 0.002 . 1 . . . . 705 TYR H . 19495 1 789 . 1 1 139 139 TYR CA C 13 56.186 0.018 . 1 . . . . 705 TYR CA . 19495 1 790 . 1 1 139 139 TYR CB C 13 39.570 0.027 . 1 . . . . 705 TYR CB . 19495 1 791 . 1 1 139 139 TYR N N 15 121.431 0.014 . 1 . . . . 705 TYR N . 19495 1 792 . 1 1 140 140 ALA H H 1 8.979 0.003 . 1 . . . . 706 ALA H . 19495 1 793 . 1 1 140 140 ALA HB1 H 1 1.187 0.002 . 1 . . . . 706 ALA HB . 19495 1 794 . 1 1 140 140 ALA HB2 H 1 1.187 0.002 . 1 . . . . 706 ALA HB . 19495 1 795 . 1 1 140 140 ALA HB3 H 1 1.187 0.002 . 1 . . . . 706 ALA HB . 19495 1 796 . 1 1 140 140 ALA CA C 13 51.711 0.022 . 1 . . . . 706 ALA CA . 19495 1 797 . 1 1 140 140 ALA CB C 13 23.101 0.089 . 1 . . . . 706 ALA CB . 19495 1 798 . 1 1 140 140 ALA N N 15 127.302 0.048 . 1 . . . . 706 ALA N . 19495 1 799 . 1 1 141 141 GLN H H 1 8.264 0.004 . 1 . . . . 707 GLN H . 19495 1 800 . 1 1 141 141 GLN CA C 13 54.002 0.047 . 1 . . . . 707 GLN CA . 19495 1 801 . 1 1 141 141 GLN CB C 13 33.979 0.057 . 1 . . . . 707 GLN CB . 19495 1 802 . 1 1 141 141 GLN CG C 13 33.570 0.000 . 1 . . . . 707 GLN CG . 19495 1 803 . 1 1 141 141 GLN N N 15 121.226 0.013 . 1 . . . . 707 GLN N . 19495 1 804 . 1 1 142 142 ASP H H 1 8.583 0.003 . 1 . . . . 708 ASP H . 19495 1 805 . 1 1 142 142 ASP CA C 13 52.776 0.000 . 1 . . . . 708 ASP CA . 19495 1 806 . 1 1 142 142 ASP CB C 13 41.186 0.000 . 1 . . . . 708 ASP CB . 19495 1 807 . 1 1 142 142 ASP N N 15 122.668 0.009 . 1 . . . . 708 ASP N . 19495 1 808 . 1 1 143 143 ALA H H 1 7.900 0.001 . 1 . . . . 709 ALA H . 19495 1 809 . 1 1 143 143 ALA HB1 H 1 1.449 0.000 . 1 . . . . 709 ALA HB . 19495 1 810 . 1 1 143 143 ALA HB2 H 1 1.449 0.000 . 1 . . . . 709 ALA HB . 19495 1 811 . 1 1 143 143 ALA HB3 H 1 1.449 0.000 . 1 . . . . 709 ALA HB . 19495 1 812 . 1 1 143 143 ALA CA C 13 54.228 0.010 . 1 . . . . 709 ALA CA . 19495 1 813 . 1 1 143 143 ALA CB C 13 19.259 0.056 . 1 . . . . 709 ALA CB . 19495 1 814 . 1 1 143 143 ALA N N 15 120.169 0.006 . 1 . . . . 709 ALA N . 19495 1 815 . 1 1 144 144 ASP H H 1 8.130 0.003 . 1 . . . . 710 ASP H . 19495 1 816 . 1 1 144 144 ASP CA C 13 54.510 0.083 . 1 . . . . 710 ASP CA . 19495 1 817 . 1 1 144 144 ASP CB C 13 41.567 0.024 . 1 . . . . 710 ASP CB . 19495 1 818 . 1 1 144 144 ASP N N 15 117.952 0.022 . 1 . . . . 710 ASP N . 19495 1 819 . 1 1 145 145 GLY H H 1 8.160 0.003 . 1 . . . . 711 GLY H . 19495 1 820 . 1 1 145 145 GLY CA C 13 44.515 0.007 . 1 . . . . 711 GLY CA . 19495 1 821 . 1 1 145 145 GLY N N 15 108.696 0.027 . 1 . . . . 711 GLY N . 19495 1 822 . 1 1 146 146 CYS H H 1 7.989 0.002 . 1 . . . . 712 CYS H . 19495 1 823 . 1 1 146 146 CYS CA C 13 56.728 0.000 . 1 . . . . 712 CYS CA . 19495 1 824 . 1 1 146 146 CYS CB C 13 26.809 0.000 . 1 . . . . 712 CYS CB . 19495 1 825 . 1 1 146 146 CYS N N 15 121.783 0.031 . 1 . . . . 712 CYS N . 19495 1 826 . 1 1 147 147 PRO CA C 13 62.822 0.040 . 1 . . . . 713 PRO CA . 19495 1 827 . 1 1 147 147 PRO CB C 13 32.291 0.149 . 1 . . . . 713 PRO CB . 19495 1 828 . 1 1 147 147 PRO CG C 13 27.316 0.000 . 1 . . . . 713 PRO CG . 19495 1 829 . 1 1 148 148 ILE H H 1 7.616 0.001 . 1 . . . . 714 ILE H . 19495 1 830 . 1 1 148 148 ILE HG21 H 1 0.585 0.000 . 1 . . . . 714 ILE QG2 . 19495 1 831 . 1 1 148 148 ILE HG22 H 1 0.585 0.000 . 1 . . . . 714 ILE QG2 . 19495 1 832 . 1 1 148 148 ILE HG23 H 1 0.585 0.000 . 1 . . . . 714 ILE QG2 . 19495 1 833 . 1 1 148 148 ILE HD11 H 1 0.485 0.003 . 1 . . . . 714 ILE QD1 . 19495 1 834 . 1 1 148 148 ILE HD12 H 1 0.485 0.003 . 1 . . . . 714 ILE QD1 . 19495 1 835 . 1 1 148 148 ILE HD13 H 1 0.485 0.003 . 1 . . . . 714 ILE QD1 . 19495 1 836 . 1 1 148 148 ILE CA C 13 59.072 0.057 . 1 . . . . 714 ILE CA . 19495 1 837 . 1 1 148 148 ILE CB C 13 39.168 0.074 . 1 . . . . 714 ILE CB . 19495 1 838 . 1 1 148 148 ILE CG1 C 13 26.608 0.043 . 1 . . . . 714 ILE CG1 . 19495 1 839 . 1 1 148 148 ILE CG2 C 13 16.927 0.198 . 1 . . . . 714 ILE CG2 . 19495 1 840 . 1 1 148 148 ILE CD1 C 13 14.664 0.001 . 1 . . . . 714 ILE CD1 . 19495 1 841 . 1 1 148 148 ILE N N 15 123.196 0.015 . 1 . . . . 714 ILE N . 19495 1 842 . 1 1 149 149 ASP H H 1 8.956 0.002 . 1 . . . . 715 ASP H . 19495 1 843 . 1 1 149 149 ASP CA C 13 54.042 0.026 . 1 . . . . 715 ASP CA . 19495 1 844 . 1 1 149 149 ASP CB C 13 40.701 0.030 . 1 . . . . 715 ASP CB . 19495 1 845 . 1 1 149 149 ASP N N 15 128.219 0.015 . 1 . . . . 715 ASP N . 19495 1 846 . 1 1 150 150 ILE H H 1 8.060 0.002 . 1 . . . . 716 ILE H . 19495 1 847 . 1 1 150 150 ILE HG21 H 1 0.613 0.002 . 1 . . . . 716 ILE QG2 . 19495 1 848 . 1 1 150 150 ILE HG22 H 1 0.613 0.002 . 1 . . . . 716 ILE QG2 . 19495 1 849 . 1 1 150 150 ILE HG23 H 1 0.613 0.002 . 1 . . . . 716 ILE QG2 . 19495 1 850 . 1 1 150 150 ILE HD11 H 1 0.504 0.004 . 1 . . . . 716 ILE QD1 . 19495 1 851 . 1 1 150 150 ILE HD12 H 1 0.504 0.004 . 1 . . . . 716 ILE QD1 . 19495 1 852 . 1 1 150 150 ILE HD13 H 1 0.504 0.004 . 1 . . . . 716 ILE QD1 . 19495 1 853 . 1 1 150 150 ILE CA C 13 60.233 0.034 . 1 . . . . 716 ILE CA . 19495 1 854 . 1 1 150 150 ILE CB C 13 38.805 0.094 . 1 . . . . 716 ILE CB . 19495 1 855 . 1 1 150 150 ILE CG1 C 13 27.842 0.050 . 1 . . . . 716 ILE CG1 . 19495 1 856 . 1 1 150 150 ILE CG2 C 13 17.592 0.028 . 1 . . . . 716 ILE CG2 . 19495 1 857 . 1 1 150 150 ILE CD1 C 13 14.502 0.009 . 1 . . . . 716 ILE CD1 . 19495 1 858 . 1 1 150 150 ILE N N 15 126.224 0.015 . 1 . . . . 716 ILE N . 19495 1 859 . 1 1 151 151 LYS H H 1 9.177 0.001 . 1 . . . . 717 LYS H . 19495 1 860 . 1 1 151 151 LYS CA C 13 55.765 0.068 . 1 . . . . 717 LYS CA . 19495 1 861 . 1 1 151 151 LYS CB C 13 32.543 0.037 . 1 . . . . 717 LYS CB . 19495 1 862 . 1 1 151 151 LYS CG C 13 24.577 0.000 . 1 . . . . 717 LYS CG . 19495 1 863 . 1 1 151 151 LYS CD C 13 28.742 0.000 . 1 . . . . 717 LYS CD . 19495 1 864 . 1 1 151 151 LYS N N 15 130.537 0.029 . 1 . . . . 717 LYS N . 19495 1 865 . 1 1 152 152 VAL H H 1 8.527 0.002 . 1 . . . . 718 VAL H . 19495 1 866 . 1 1 152 152 VAL HG11 H 1 0.698 0.000 . 2 . . . . 718 VAL QG1 . 19495 1 867 . 1 1 152 152 VAL HG12 H 1 0.698 0.000 . 2 . . . . 718 VAL QG1 . 19495 1 868 . 1 1 152 152 VAL HG13 H 1 0.698 0.000 . 2 . . . . 718 VAL QG1 . 19495 1 869 . 1 1 152 152 VAL HG21 H 1 0.731 0.000 . 2 . . . . 718 VAL QG2 . 19495 1 870 . 1 1 152 152 VAL HG22 H 1 0.731 0.000 . 2 . . . . 718 VAL QG2 . 19495 1 871 . 1 1 152 152 VAL HG23 H 1 0.731 0.000 . 2 . . . . 718 VAL QG2 . 19495 1 872 . 1 1 152 152 VAL CA C 13 61.859 0.035 . 1 . . . . 718 VAL CA . 19495 1 873 . 1 1 152 152 VAL CB C 13 33.657 0.128 . 1 . . . . 718 VAL CB . 19495 1 874 . 1 1 152 152 VAL CG1 C 13 21.686 0.000 . 1 . . . . 718 VAL CG1 . 19495 1 875 . 1 1 152 152 VAL CG2 C 13 21.058 0.000 . 1 . . . . 718 VAL CG2 . 19495 1 876 . 1 1 152 152 VAL N N 15 126.775 0.040 . 1 . . . . 718 VAL N . 19495 1 877 . 1 1 153 153 ILE H H 1 9.224 0.003 . 1 . . . . 719 ILE H . 19495 1 878 . 1 1 153 153 ILE HG21 H 1 0.752 0.002 . 1 . . . . 719 ILE QG2 . 19495 1 879 . 1 1 153 153 ILE HG22 H 1 0.752 0.002 . 1 . . . . 719 ILE QG2 . 19495 1 880 . 1 1 153 153 ILE HG23 H 1 0.752 0.002 . 1 . . . . 719 ILE QG2 . 19495 1 881 . 1 1 153 153 ILE HD11 H 1 0.698 0.002 . 1 . . . . 719 ILE QD1 . 19495 1 882 . 1 1 153 153 ILE HD12 H 1 0.698 0.002 . 1 . . . . 719 ILE QD1 . 19495 1 883 . 1 1 153 153 ILE HD13 H 1 0.698 0.002 . 1 . . . . 719 ILE QD1 . 19495 1 884 . 1 1 153 153 ILE CA C 13 57.534 0.069 . 1 . . . . 719 ILE CA . 19495 1 885 . 1 1 153 153 ILE CB C 13 40.126 0.007 . 1 . . . . 719 ILE CB . 19495 1 886 . 1 1 153 153 ILE CG2 C 13 16.867 0.004 . 1 . . . . 719 ILE CG2 . 19495 1 887 . 1 1 153 153 ILE CD1 C 13 12.819 0.002 . 1 . . . . 719 ILE CD1 . 19495 1 888 . 1 1 153 153 ILE N N 15 129.545 0.038 . 1 . . . . 719 ILE N . 19495 1 889 . 1 1 155 155 ASN CA C 13 55.674 0.000 . 1 . . . . 721 ASN CA . 19495 1 890 . 1 1 155 155 ASN CB C 13 42.366 0.111 . 1 . . . . 721 ASN CB . 19495 1 891 . 1 1 156 156 GLY H H 1 8.267 0.004 . 1 . . . . 722 GLY H . 19495 1 892 . 1 1 156 156 GLY CA C 13 45.185 0.023 . 1 . . . . 722 GLY CA . 19495 1 893 . 1 1 156 156 GLY N N 15 109.081 0.011 . 1 . . . . 722 GLY N . 19495 1 894 . 1 1 157 157 ASP H H 1 7.968 0.002 . 1 . . . . 723 ASP H . 19495 1 895 . 1 1 157 157 ASP CA C 13 52.162 0.006 . 1 . . . . 723 ASP CA . 19495 1 896 . 1 1 157 157 ASP CB C 13 41.114 0.037 . 1 . . . . 723 ASP CB . 19495 1 897 . 1 1 157 157 ASP N N 15 118.221 0.019 . 1 . . . . 723 ASP N . 19495 1 898 . 1 1 158 158 GLY H H 1 8.259 0.003 . 1 . . . . 724 GLY H . 19495 1 899 . 1 1 158 158 GLY CA C 13 45.497 0.088 . 1 . . . . 724 GLY CA . 19495 1 900 . 1 1 158 158 GLY N N 15 107.679 0.028 . 1 . . . . 724 GLY N . 19495 1 901 . 1 1 159 159 THR H H 1 7.844 0.002 . 1 . . . . 725 THR H . 19495 1 902 . 1 1 159 159 THR CA C 13 60.221 0.020 . 1 . . . . 725 THR CA . 19495 1 903 . 1 1 159 159 THR CB C 13 72.709 0.107 . 1 . . . . 725 THR CB . 19495 1 904 . 1 1 159 159 THR N N 15 109.073 0.035 . 1 . . . . 725 THR N . 19495 1 905 . 1 1 160 160 PHE H H 1 9.262 0.002 . 1 . . . . 726 PHE H . 19495 1 906 . 1 1 160 160 PHE CA C 13 57.078 0.050 . 1 . . . . 726 PHE CA . 19495 1 907 . 1 1 160 160 PHE CB C 13 42.390 0.090 . 1 . . . . 726 PHE CB . 19495 1 908 . 1 1 160 160 PHE N N 15 119.767 0.032 . 1 . . . . 726 PHE N . 19495 1 909 . 1 1 161 161 ARG H H 1 9.075 0.001 . 1 . . . . 727 ARG H . 19495 1 910 . 1 1 161 161 ARG CA C 13 55.241 0.016 . 1 . . . . 727 ARG CA . 19495 1 911 . 1 1 161 161 ARG CB C 13 31.863 0.107 . 1 . . . . 727 ARG CB . 19495 1 912 . 1 1 161 161 ARG CG C 13 27.229 0.000 . 1 . . . . 727 ARG CG . 19495 1 913 . 1 1 161 161 ARG CD C 13 43.586 0.000 . 1 . . . . 727 ARG CD . 19495 1 914 . 1 1 161 161 ARG N N 15 124.655 0.011 . 1 . . . . 727 ARG N . 19495 1 915 . 1 1 162 162 CYS H H 1 8.625 0.003 . 1 . . . . 728 CYS H . 19495 1 916 . 1 1 162 162 CYS CA C 13 55.688 0.038 . 1 . . . . 728 CYS CA . 19495 1 917 . 1 1 162 162 CYS CB C 13 30.070 0.086 . 1 . . . . 728 CYS CB . 19495 1 918 . 1 1 162 162 CYS N N 15 123.454 0.019 . 1 . . . . 728 CYS N . 19495 1 919 . 1 1 163 163 SER H H 1 8.470 0.003 . 1 . . . . 729 SER H . 19495 1 920 . 1 1 163 163 SER CA C 13 57.477 0.071 . 1 . . . . 729 SER CA . 19495 1 921 . 1 1 163 163 SER CB C 13 65.892 0.070 . 1 . . . . 729 SER CB . 19495 1 922 . 1 1 163 163 SER N N 15 113.895 0.017 . 1 . . . . 729 SER N . 19495 1 923 . 1 1 164 164 TYR H H 1 8.630 0.002 . 1 . . . . 730 TYR H . 19495 1 924 . 1 1 164 164 TYR CA C 13 55.753 0.002 . 1 . . . . 730 TYR CA . 19495 1 925 . 1 1 164 164 TYR CB C 13 41.607 0.015 . 1 . . . . 730 TYR CB . 19495 1 926 . 1 1 164 164 TYR N N 15 119.206 0.018 . 1 . . . . 730 TYR N . 19495 1 927 . 1 1 165 165 VAL H H 1 8.941 0.002 . 1 . . . . 731 VAL H . 19495 1 928 . 1 1 165 165 VAL HG11 H 1 0.488 0.000 . 2 . . . . 731 VAL QG1 . 19495 1 929 . 1 1 165 165 VAL HG12 H 1 0.488 0.000 . 2 . . . . 731 VAL QG1 . 19495 1 930 . 1 1 165 165 VAL HG13 H 1 0.488 0.000 . 2 . . . . 731 VAL QG1 . 19495 1 931 . 1 1 165 165 VAL HG21 H 1 0.637 0.002 . 2 . . . . 731 VAL QG2 . 19495 1 932 . 1 1 165 165 VAL HG22 H 1 0.637 0.002 . 2 . . . . 731 VAL QG2 . 19495 1 933 . 1 1 165 165 VAL HG23 H 1 0.637 0.002 . 2 . . . . 731 VAL QG2 . 19495 1 934 . 1 1 165 165 VAL CA C 13 58.736 0.010 . 1 . . . . 731 VAL CA . 19495 1 935 . 1 1 165 165 VAL CB C 13 33.077 0.017 . 1 . . . . 731 VAL CB . 19495 1 936 . 1 1 165 165 VAL CG1 C 13 20.645 0.000 . 1 . . . . 731 VAL CG1 . 19495 1 937 . 1 1 165 165 VAL CG2 C 13 20.543 0.010 . 1 . . . . 731 VAL CG2 . 19495 1 938 . 1 1 165 165 VAL N N 15 120.257 0.036 . 1 . . . . 731 VAL N . 19495 1 939 . 1 1 166 166 PRO CA C 13 62.273 0.033 . 1 . . . . 732 PRO CA . 19495 1 940 . 1 1 166 166 PRO CB C 13 34.085 0.000 . 1 . . . . 732 PRO CB . 19495 1 941 . 1 1 167 167 THR H H 1 9.937 0.002 . 1 . . . . 733 THR H . 19495 1 942 . 1 1 167 167 THR HG21 H 1 1.220 0.000 . 1 . . . . 733 THR QG2 . 19495 1 943 . 1 1 167 167 THR HG22 H 1 1.220 0.000 . 1 . . . . 733 THR QG2 . 19495 1 944 . 1 1 167 167 THR HG23 H 1 1.220 0.000 . 1 . . . . 733 THR QG2 . 19495 1 945 . 1 1 167 167 THR CA C 13 61.730 0.119 . 1 . . . . 733 THR CA . 19495 1 946 . 1 1 167 167 THR CB C 13 70.231 0.083 . 1 . . . . 733 THR CB . 19495 1 947 . 1 1 167 167 THR CG2 C 13 21.733 0.010 . 1 . . . . 733 THR CG2 . 19495 1 948 . 1 1 167 167 THR N N 15 112.469 0.030 . 1 . . . . 733 THR N . 19495 1 949 . 1 1 168 168 LYS H H 1 7.515 0.002 . 1 . . . . 734 LYS H . 19495 1 950 . 1 1 168 168 LYS CA C 13 52.894 0.000 . 1 . . . . 734 LYS CA . 19495 1 951 . 1 1 168 168 LYS CB C 13 37.919 0.000 . 1 . . . . 734 LYS CB . 19495 1 952 . 1 1 168 168 LYS N N 15 121.223 0.022 . 1 . . . . 734 LYS N . 19495 1 953 . 1 1 169 169 PRO CA C 13 62.255 0.000 . 1 . . . . 735 PRO CA . 19495 1 954 . 1 1 169 169 PRO CB C 13 27.902 0.000 . 1 . . . . 735 PRO CB . 19495 1 955 . 1 1 170 170 ILE H H 1 8.008 0.001 . 1 . . . . 736 ILE H . 19495 1 956 . 1 1 170 170 ILE HG21 H 1 0.741 0.000 . 1 . . . . 736 ILE QG2 . 19495 1 957 . 1 1 170 170 ILE HG22 H 1 0.741 0.000 . 1 . . . . 736 ILE QG2 . 19495 1 958 . 1 1 170 170 ILE HG23 H 1 0.741 0.000 . 1 . . . . 736 ILE QG2 . 19495 1 959 . 1 1 170 170 ILE HD11 H 1 0.597 0.002 . 1 . . . . 736 ILE QD1 . 19495 1 960 . 1 1 170 170 ILE HD12 H 1 0.597 0.002 . 1 . . . . 736 ILE QD1 . 19495 1 961 . 1 1 170 170 ILE HD13 H 1 0.597 0.002 . 1 . . . . 736 ILE QD1 . 19495 1 962 . 1 1 170 170 ILE CA C 13 59.064 0.049 . 1 . . . . 736 ILE CA . 19495 1 963 . 1 1 170 170 ILE CB C 13 42.800 0.123 . 1 . . . . 736 ILE CB . 19495 1 964 . 1 1 170 170 ILE CG1 C 13 23.794 0.000 . 1 . . . . 736 ILE CG1 . 19495 1 965 . 1 1 170 170 ILE CG2 C 13 17.292 0.021 . 1 . . . . 736 ILE CG2 . 19495 1 966 . 1 1 170 170 ILE CD1 C 13 14.675 0.037 . 1 . . . . 736 ILE CD1 . 19495 1 967 . 1 1 170 170 ILE N N 15 114.162 0.021 . 1 . . . . 736 ILE N . 19495 1 968 . 1 1 171 171 LYS H H 1 8.659 0.001 . 1 . . . . 737 LYS H . 19495 1 969 . 1 1 171 171 LYS CA C 13 58.199 0.000 . 1 . . . . 737 LYS CA . 19495 1 970 . 1 1 171 171 LYS CB C 13 31.426 0.009 . 1 . . . . 737 LYS CB . 19495 1 971 . 1 1 171 171 LYS N N 15 122.837 0.045 . 1 . . . . 737 LYS N . 19495 1 972 . 1 1 172 172 HIS H H 1 9.793 0.006 . 1 . . . . 738 HIS H . 19495 1 973 . 1 1 172 172 HIS CA C 13 56.195 0.007 . 1 . . . . 738 HIS CA . 19495 1 974 . 1 1 172 172 HIS CB C 13 30.901 0.039 . 1 . . . . 738 HIS CB . 19495 1 975 . 1 1 172 172 HIS N N 15 126.992 0.026 . 1 . . . . 738 HIS N . 19495 1 976 . 1 1 173 173 THR H H 1 8.294 0.003 . 1 . . . . 739 THR H . 19495 1 977 . 1 1 173 173 THR HG21 H 1 0.929 0.001 . 1 . . . . 739 THR QG2 . 19495 1 978 . 1 1 173 173 THR HG22 H 1 0.929 0.001 . 1 . . . . 739 THR QG2 . 19495 1 979 . 1 1 173 173 THR HG23 H 1 0.929 0.001 . 1 . . . . 739 THR QG2 . 19495 1 980 . 1 1 173 173 THR CA C 13 62.343 0.030 . 1 . . . . 739 THR CA . 19495 1 981 . 1 1 173 173 THR CB C 13 69.115 0.032 . 1 . . . . 739 THR CB . 19495 1 982 . 1 1 173 173 THR CG2 C 13 21.697 0.017 . 1 . . . . 739 THR CG2 . 19495 1 983 . 1 1 173 173 THR N N 15 119.930 0.011 . 1 . . . . 739 THR N . 19495 1 984 . 1 1 174 174 ILE H H 1 9.182 0.003 . 1 . . . . 740 ILE H . 19495 1 985 . 1 1 174 174 ILE HG21 H 1 0.514 0.002 . 1 . . . . 740 ILE QG2 . 19495 1 986 . 1 1 174 174 ILE HG22 H 1 0.514 0.002 . 1 . . . . 740 ILE QG2 . 19495 1 987 . 1 1 174 174 ILE HG23 H 1 0.514 0.002 . 1 . . . . 740 ILE QG2 . 19495 1 988 . 1 1 174 174 ILE HD11 H 1 0.342 0.002 . 1 . . . . 740 ILE QD1 . 19495 1 989 . 1 1 174 174 ILE HD12 H 1 0.342 0.002 . 1 . . . . 740 ILE QD1 . 19495 1 990 . 1 1 174 174 ILE HD13 H 1 0.342 0.002 . 1 . . . . 740 ILE QD1 . 19495 1 991 . 1 1 174 174 ILE CA C 13 60.967 0.090 . 1 . . . . 740 ILE CA . 19495 1 992 . 1 1 174 174 ILE CB C 13 41.564 0.013 . 1 . . . . 740 ILE CB . 19495 1 993 . 1 1 174 174 ILE CG1 C 13 28.548 0.000 . 1 . . . . 740 ILE CG1 . 19495 1 994 . 1 1 174 174 ILE CG2 C 13 17.866 0.009 . 1 . . . . 740 ILE CG2 . 19495 1 995 . 1 1 174 174 ILE CD1 C 13 14.113 0.020 . 1 . . . . 740 ILE CD1 . 19495 1 996 . 1 1 174 174 ILE N N 15 126.998 0.016 . 1 . . . . 740 ILE N . 19495 1 997 . 1 1 175 175 ILE H H 1 9.944 0.004 . 1 . . . . 741 ILE H . 19495 1 998 . 1 1 175 175 ILE HG21 H 1 0.470 0.002 . 1 . . . . 741 ILE QG2 . 19495 1 999 . 1 1 175 175 ILE HG22 H 1 0.470 0.002 . 1 . . . . 741 ILE QG2 . 19495 1 1000 . 1 1 175 175 ILE HG23 H 1 0.470 0.002 . 1 . . . . 741 ILE QG2 . 19495 1 1001 . 1 1 175 175 ILE HD11 H 1 -0.013 0.001 . 1 . . . . 741 ILE QD1 . 19495 1 1002 . 1 1 175 175 ILE HD12 H 1 -0.013 0.001 . 1 . . . . 741 ILE QD1 . 19495 1 1003 . 1 1 175 175 ILE HD13 H 1 -0.013 0.001 . 1 . . . . 741 ILE QD1 . 19495 1 1004 . 1 1 175 175 ILE CA C 13 60.111 0.098 . 1 . . . . 741 ILE CA . 19495 1 1005 . 1 1 175 175 ILE CB C 13 39.499 0.069 . 1 . . . . 741 ILE CB . 19495 1 1006 . 1 1 175 175 ILE CG2 C 13 17.188 0.048 . 1 . . . . 741 ILE CG2 . 19495 1 1007 . 1 1 175 175 ILE CD1 C 13 14.758 0.001 . 1 . . . . 741 ILE CD1 . 19495 1 1008 . 1 1 175 175 ILE N N 15 127.409 0.022 . 1 . . . . 741 ILE N . 19495 1 1009 . 1 1 176 176 ILE H H 1 8.391 0.001 . 1 . . . . 742 ILE H . 19495 1 1010 . 1 1 176 176 ILE HG21 H 1 0.750 0.001 . 1 . . . . 742 ILE QG2 . 19495 1 1011 . 1 1 176 176 ILE HG22 H 1 0.750 0.001 . 1 . . . . 742 ILE QG2 . 19495 1 1012 . 1 1 176 176 ILE HG23 H 1 0.750 0.001 . 1 . . . . 742 ILE QG2 . 19495 1 1013 . 1 1 176 176 ILE HD11 H 1 0.623 0.003 . 1 . . . . 742 ILE QD1 . 19495 1 1014 . 1 1 176 176 ILE HD12 H 1 0.623 0.003 . 1 . . . . 742 ILE QD1 . 19495 1 1015 . 1 1 176 176 ILE HD13 H 1 0.623 0.003 . 1 . . . . 742 ILE QD1 . 19495 1 1016 . 1 1 176 176 ILE CA C 13 60.974 0.062 . 1 . . . . 742 ILE CA . 19495 1 1017 . 1 1 176 176 ILE CB C 13 40.342 0.088 . 1 . . . . 742 ILE CB . 19495 1 1018 . 1 1 176 176 ILE CG1 C 13 27.559 0.080 . 1 . . . . 742 ILE CG1 . 19495 1 1019 . 1 1 176 176 ILE CG2 C 13 17.598 0.038 . 1 . . . . 742 ILE CG2 . 19495 1 1020 . 1 1 176 176 ILE CD1 C 13 15.199 0.004 . 1 . . . . 742 ILE CD1 . 19495 1 1021 . 1 1 176 176 ILE N N 15 127.056 0.040 . 1 . . . . 742 ILE N . 19495 1 1022 . 1 1 177 177 SER H H 1 8.535 0.003 . 1 . . . . 743 SER H . 19495 1 1023 . 1 1 177 177 SER CA C 13 55.774 0.014 . 1 . . . . 743 SER CA . 19495 1 1024 . 1 1 177 177 SER CB C 13 68.274 0.038 . 1 . . . . 743 SER CB . 19495 1 1025 . 1 1 177 177 SER N N 15 120.221 0.037 . 1 . . . . 743 SER N . 19495 1 1026 . 1 1 178 178 TRP H H 1 9.207 0.002 . 1 . . . . 744 TRP H . 19495 1 1027 . 1 1 178 178 TRP CA C 13 55.329 0.019 . 1 . . . . 744 TRP CA . 19495 1 1028 . 1 1 178 178 TRP CB C 13 34.060 0.041 . 1 . . . . 744 TRP CB . 19495 1 1029 . 1 1 178 178 TRP N N 15 124.487 0.022 . 1 . . . . 744 TRP N . 19495 1 1030 . 1 1 179 179 GLY H H 1 8.556 0.001 . 1 . . . . 745 GLY H . 19495 1 1031 . 1 1 179 179 GLY CA C 13 46.551 0.053 . 1 . . . . 745 GLY CA . 19495 1 1032 . 1 1 179 179 GLY N N 15 114.734 0.030 . 1 . . . . 745 GLY N . 19495 1 1033 . 1 1 180 180 GLY H H 1 8.959 0.002 . 1 . . . . 746 GLY H . 19495 1 1034 . 1 1 180 180 GLY CA C 13 44.563 0.010 . 1 . . . . 746 GLY CA . 19495 1 1035 . 1 1 180 180 GLY N N 15 104.768 0.041 . 1 . . . . 746 GLY N . 19495 1 1036 . 1 1 181 181 VAL H H 1 7.288 0.003 . 1 . . . . 747 VAL H . 19495 1 1037 . 1 1 181 181 VAL HG11 H 1 0.680 0.002 . 2 . . . . 747 VAL QG1 . 19495 1 1038 . 1 1 181 181 VAL HG12 H 1 0.680 0.002 . 2 . . . . 747 VAL QG1 . 19495 1 1039 . 1 1 181 181 VAL HG13 H 1 0.680 0.002 . 2 . . . . 747 VAL QG1 . 19495 1 1040 . 1 1 181 181 VAL HG21 H 1 0.984 0.002 . 2 . . . . 747 VAL QG2 . 19495 1 1041 . 1 1 181 181 VAL HG22 H 1 0.984 0.002 . 2 . . . . 747 VAL QG2 . 19495 1 1042 . 1 1 181 181 VAL HG23 H 1 0.984 0.002 . 2 . . . . 747 VAL QG2 . 19495 1 1043 . 1 1 181 181 VAL CA C 13 61.227 0.025 . 1 . . . . 747 VAL CA . 19495 1 1044 . 1 1 181 181 VAL CB C 13 34.459 0.035 . 1 . . . . 747 VAL CB . 19495 1 1045 . 1 1 181 181 VAL CG1 C 13 22.090 0.013 . 1 . . . . 747 VAL CG1 . 19495 1 1046 . 1 1 181 181 VAL CG2 C 13 21.117 0.016 . 1 . . . . 747 VAL CG2 . 19495 1 1047 . 1 1 181 181 VAL N N 15 118.778 0.035 . 1 . . . . 747 VAL N . 19495 1 1048 . 1 1 182 182 ASN H H 1 9.280 0.001 . 1 . . . . 748 ASN H . 19495 1 1049 . 1 1 182 182 ASN CA C 13 54.785 0.038 . 1 . . . . 748 ASN CA . 19495 1 1050 . 1 1 182 182 ASN CB C 13 40.562 0.030 . 1 . . . . 748 ASN CB . 19495 1 1051 . 1 1 182 182 ASN N N 15 126.996 0.025 . 1 . . . . 748 ASN N . 19495 1 1052 . 1 1 183 183 VAL H H 1 7.849 0.003 . 1 . . . . 749 VAL H . 19495 1 1053 . 1 1 183 183 VAL HG11 H 1 0.991 0.001 . 2 . . . . 749 VAL QG1 . 19495 1 1054 . 1 1 183 183 VAL HG12 H 1 0.991 0.001 . 2 . . . . 749 VAL QG1 . 19495 1 1055 . 1 1 183 183 VAL HG13 H 1 0.991 0.001 . 2 . . . . 749 VAL QG1 . 19495 1 1056 . 1 1 183 183 VAL HG21 H 1 0.833 0.001 . 2 . . . . 749 VAL QG2 . 19495 1 1057 . 1 1 183 183 VAL HG22 H 1 0.833 0.001 . 2 . . . . 749 VAL QG2 . 19495 1 1058 . 1 1 183 183 VAL HG23 H 1 0.833 0.001 . 2 . . . . 749 VAL QG2 . 19495 1 1059 . 1 1 183 183 VAL CA C 13 60.247 0.054 . 1 . . . . 749 VAL CA . 19495 1 1060 . 1 1 183 183 VAL CB C 13 29.856 0.033 . 1 . . . . 749 VAL CB . 19495 1 1061 . 1 1 183 183 VAL CG1 C 13 21.876 0.036 . 1 . . . . 749 VAL CG1 . 19495 1 1062 . 1 1 183 183 VAL CG2 C 13 17.630 0.014 . 1 . . . . 749 VAL CG2 . 19495 1 1063 . 1 1 183 183 VAL N N 15 121.260 0.031 . 1 . . . . 749 VAL N . 19495 1 1064 . 1 1 184 184 PRO CA C 13 64.793 0.012 . 1 . . . . 750 PRO CA . 19495 1 1065 . 1 1 184 184 PRO CB C 13 31.688 0.069 . 1 . . . . 750 PRO CB . 19495 1 1066 . 1 1 185 185 LYS H H 1 8.149 0.000 . 1 . . . . 751 LYS H . 19495 1 1067 . 1 1 185 185 LYS CA C 13 59.500 0.067 . 1 . . . . 751 LYS CA . 19495 1 1068 . 1 1 185 185 LYS CB C 13 30.280 0.104 . 1 . . . . 751 LYS CB . 19495 1 1069 . 1 1 185 185 LYS CG C 13 25.863 0.000 . 1 . . . . 751 LYS CG . 19495 1 1070 . 1 1 185 185 LYS CD C 13 29.199 0.000 . 1 . . . . 751 LYS CD . 19495 1 1071 . 1 1 185 185 LYS N N 15 114.437 0.032 . 1 . . . . 751 LYS N . 19495 1 1072 . 1 1 186 186 SER H H 1 6.890 0.004 . 1 . . . . 752 SER H . 19495 1 1073 . 1 1 186 186 SER CA C 13 54.127 0.000 . 1 . . . . 752 SER CA . 19495 1 1074 . 1 1 186 186 SER CB C 13 63.747 0.000 . 1 . . . . 752 SER CB . 19495 1 1075 . 1 1 186 186 SER N N 15 112.034 0.030 . 1 . . . . 752 SER N . 19495 1 1076 . 1 1 187 187 PRO CA C 13 61.756 0.000 . 1 . . . . 753 PRO CA . 19495 1 1077 . 1 1 187 187 PRO CB C 13 35.568 0.000 . 1 . . . . 753 PRO CB . 19495 1 1078 . 1 1 188 188 PHE H H 1 9.445 0.006 . 1 . . . . 754 PHE H . 19495 1 1079 . 1 1 188 188 PHE CA C 13 57.273 0.047 . 1 . . . . 754 PHE CA . 19495 1 1080 . 1 1 188 188 PHE CB C 13 39.999 0.009 . 1 . . . . 754 PHE CB . 19495 1 1081 . 1 1 188 188 PHE N N 15 122.859 0.050 . 1 . . . . 754 PHE N . 19495 1 1082 . 1 1 189 189 ARG H H 1 8.418 0.005 . 1 . . . . 755 ARG H . 19495 1 1083 . 1 1 189 189 ARG CA C 13 56.181 0.071 . 1 . . . . 755 ARG CA . 19495 1 1084 . 1 1 189 189 ARG CB C 13 29.969 0.024 . 1 . . . . 755 ARG CB . 19495 1 1085 . 1 1 189 189 ARG N N 15 124.249 0.041 . 1 . . . . 755 ARG N . 19495 1 1086 . 1 1 190 190 VAL H H 1 9.426 0.003 . 1 . . . . 756 VAL H . 19495 1 1087 . 1 1 190 190 VAL HG21 H 1 0.602 0.002 . 2 . . . . 756 VAL QG2 . 19495 1 1088 . 1 1 190 190 VAL HG22 H 1 0.602 0.002 . 2 . . . . 756 VAL QG2 . 19495 1 1089 . 1 1 190 190 VAL HG23 H 1 0.602 0.002 . 2 . . . . 756 VAL QG2 . 19495 1 1090 . 1 1 190 190 VAL CA C 13 62.399 0.023 . 1 . . . . 756 VAL CA . 19495 1 1091 . 1 1 190 190 VAL CB C 13 35.105 0.030 . 1 . . . . 756 VAL CB . 19495 1 1092 . 1 1 190 190 VAL CG1 C 13 23.977 0.000 . 1 . . . . 756 VAL CG1 . 19495 1 1093 . 1 1 190 190 VAL CG2 C 13 19.384 0.008 . 1 . . . . 756 VAL CG2 . 19495 1 1094 . 1 1 190 190 VAL N N 15 130.038 0.038 . 1 . . . . 756 VAL N . 19495 1 1095 . 1 1 191 191 ASN H H 1 8.349 0.004 . 1 . . . . 757 ASN H . 19495 1 1096 . 1 1 191 191 ASN CA C 13 53.677 0.007 . 1 . . . . 757 ASN CA . 19495 1 1097 . 1 1 191 191 ASN CB C 13 39.074 0.004 . 1 . . . . 757 ASN CB . 19495 1 1098 . 1 1 191 191 ASN N N 15 125.073 0.033 . 1 . . . . 757 ASN N . 19495 1 1099 . 1 1 192 192 VAL H H 1 7.160 0.002 . 1 . . . . 758 VAL H . 19495 1 1100 . 1 1 192 192 VAL HG11 H 1 0.599 0.000 . 2 . . . . 758 VAL QG1 . 19495 1 1101 . 1 1 192 192 VAL HG12 H 1 0.599 0.000 . 2 . . . . 758 VAL QG1 . 19495 1 1102 . 1 1 192 192 VAL HG13 H 1 0.599 0.000 . 2 . . . . 758 VAL QG1 . 19495 1 1103 . 1 1 192 192 VAL HG21 H 1 0.599 0.000 . 2 . . . . 758 VAL QG2 . 19495 1 1104 . 1 1 192 192 VAL HG22 H 1 0.599 0.000 . 2 . . . . 758 VAL QG2 . 19495 1 1105 . 1 1 192 192 VAL HG23 H 1 0.599 0.000 . 2 . . . . 758 VAL QG2 . 19495 1 1106 . 1 1 192 192 VAL CA C 13 62.238 0.015 . 1 . . . . 758 VAL CA . 19495 1 1107 . 1 1 192 192 VAL CB C 13 32.394 0.058 . 1 . . . . 758 VAL CB . 19495 1 1108 . 1 1 192 192 VAL CG1 C 13 22.469 0.000 . 1 . . . . 758 VAL CG1 . 19495 1 1109 . 1 1 192 192 VAL CG2 C 13 22.469 0.000 . 1 . . . . 758 VAL CG2 . 19495 1 1110 . 1 1 192 192 VAL N N 15 126.447 0.010 . 1 . . . . 758 VAL N . 19495 1 1111 . 1 1 193 193 GLY H H 1 8.428 0.002 . 1 . . . . 759 GLY H . 19495 1 1112 . 1 1 193 193 GLY CA C 13 43.557 0.043 . 1 . . . . 759 GLY CA . 19495 1 1113 . 1 1 193 193 GLY N N 15 113.401 0.015 . 1 . . . . 759 GLY N . 19495 1 1114 . 1 1 194 194 GLU H H 1 8.560 0.001 . 1 . . . . 760 GLU H . 19495 1 1115 . 1 1 194 194 GLU CA C 13 57.231 0.009 . 1 . . . . 760 GLU CA . 19495 1 1116 . 1 1 194 194 GLU CB C 13 31.288 0.180 . 1 . . . . 760 GLU CB . 19495 1 1117 . 1 1 194 194 GLU CG C 13 37.235 0.000 . 1 . . . . 760 GLU CG . 19495 1 1118 . 1 1 194 194 GLU N N 15 117.421 0.008 . 1 . . . . 760 GLU N . 19495 1 1119 . 1 1 195 195 GLY H H 1 7.961 0.004 . 1 . . . . 761 GLY H . 19495 1 1120 . 1 1 195 195 GLY CA C 13 46.448 0.000 . 1 . . . . 761 GLY CA . 19495 1 1121 . 1 1 195 195 GLY N N 15 114.208 0.166 . 1 . . . . 761 GLY N . 19495 1 stop_ save_