data_27795 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27795 _Entry.Title ; FLNa4-6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-21 _Entry.Accession_date 2019-02-21 _Entry.Last_release_date 2019-02-21 _Entry.Original_release_date 2019-02-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of filamin domains 4-6.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tatu Haataja . TH . . 27795 2 Perttu Permi . PP . . 27795 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Molecular Mechanisms of Diseases group, University of Turku' . 27795 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27795 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 27795 '15N chemical shifts' 245 27795 '1H chemical shifts' 305 27795 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 . . 2020-02-28 . original BMRB . 27795 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27795 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31542223 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Critical Structural Defects Explain Filamin A Mutations Causing Mitral Valve Dysplasia ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 117 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 1467 _Citation.Page_last 1475 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tatu Haataja . . . . 27795 1 2 Romain Capoulade R. . . . 27795 1 3 Simon Lecointe S. . . . 27795 1 4 Maarit Hellman M. . . . 27795 1 5 Jean Merot J. . . . 27795 1 6 Perttu Permi P. . . . 27795 1 7 Ulla Pentikainen U. . . . 27795 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cardiovascular disease' 27795 1 FLNA-MVD 27795 1 Filamin 27795 1 'Mitral valve prolapse' 27795 1 'NMR spectroscopy' 27795 1 SAXS 27795 1 'protein tyrosine phosphatase 12' 27795 1 'protein-protein interaction' 27795 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27795 _Assembly.ID 1 _Assembly.Name FLNa4-6 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 31520.41 _Assembly.Enzyme_commission_number . _Assembly.Details 'one polypeptide chain' _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 FLNa4-6 1 $FLNa4-6 A . yes native no no 1 'The studied protein' 'The studied polymer consists domains 4-6 from Filamin polymer' 27795 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Cytoskeletal protein that connects ECM to actin cytoskeleton.Multiple functions in cells, such as signal transduction, force transmission and scaffolding. ; 27795 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FLNa4-6 _Entity.Sf_category entity _Entity.Sf_framecode FLNa4-6 _Entity.Entry_ID 27795 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FLNa4-6 _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 ; SMCGNQKVRAWGPGLEGGVV GKSADFVVEAIGDDVGTLGF SVEGPSQAKIECDDKGDGSC DVRYWPQEAGEYAVHVLCNS EDIRLSPFMADIRDAPQDFH PDRVKARGPGLEKTGVAVNK PAEFTVDAKHGGKAPLRVQV QDNEGCPVEALVKDNGNGTY SCSYVPRKPVKHTAMVSWGG VSIPNSPFRVNVGAGSHPNK VKVYGPGVAKTGLKAHEPTY FTVDCAEAGQGDVSIGIKCA PGVVGPAEADIDFDIIRNDN DTFTVKYTPRGAGSYTIMVL FADQATPTSPIRVKVEPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Start from 572' _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 298 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Contains domain 4-6 from Filamin protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes UNP P21333 . FLNA_HUMAN . . . . . . . . . . . . . . 27795 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Promotes orthogonal branching of actin filaments and links actin filaments to membrane glycoproteins. Anchors various transmembrane proteins to the actin cytoskeleton and serves as a scaffold for a wide range of cytoplasmic signaling proteins. Interaction with FLNA may allow neuroblast migration from the ventricular zone into the cortical plate. Tethers cell surface-localized furin, modulates its rate of internalization and directs its intracellular trafficking (By similarity). Involved in ciliogenesis. Plays a role in cell-cell contacts and adherens junctions during the development of blood vessels, heart and brain organs. Plays a role in platelets morphology through interaction with SYK that regulates ITAM- and ITAM-like-containing receptor signaling, resulting in by platelet cytoskeleton organization maintenance. ; 27795 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 1 572 SER . 27795 1 2 573 MET . 27795 1 3 574 CYS . 27795 1 4 575 GLY . 27795 1 5 576 ASN . 27795 1 6 577 GLN . 27795 1 7 578 LYS . 27795 1 8 579 VAL . 27795 1 9 580 ARG . 27795 1 10 581 ALA . 27795 1 11 582 TRP . 27795 1 12 583 GLY . 27795 1 13 584 PRO . 27795 1 14 585 GLY . 27795 1 15 586 LEU . 27795 1 16 587 GLU . 27795 1 17 588 GLY . 27795 1 18 589 GLY . 27795 1 19 590 VAL . 27795 1 20 591 VAL . 27795 1 21 592 GLY . 27795 1 22 593 LYS . 27795 1 23 594 SER . 27795 1 24 595 ALA . 27795 1 25 596 ASP . 27795 1 26 597 PHE . 27795 1 27 598 VAL . 27795 1 28 599 VAL . 27795 1 29 600 GLU . 27795 1 30 601 ALA . 27795 1 31 602 ILE . 27795 1 32 603 GLY . 27795 1 33 604 ASP . 27795 1 34 605 ASP . 27795 1 35 606 VAL . 27795 1 36 607 GLY . 27795 1 37 608 THR . 27795 1 38 609 LEU . 27795 1 39 610 GLY . 27795 1 40 611 PHE . 27795 1 41 612 SER . 27795 1 42 613 VAL . 27795 1 43 614 GLU . 27795 1 44 615 GLY . 27795 1 45 616 PRO . 27795 1 46 617 SER . 27795 1 47 618 GLN . 27795 1 48 619 ALA . 27795 1 49 620 LYS . 27795 1 50 621 ILE . 27795 1 51 622 GLU . 27795 1 52 623 CYS . 27795 1 53 624 ASP . 27795 1 54 625 ASP . 27795 1 55 626 LYS . 27795 1 56 627 GLY . 27795 1 57 628 ASP . 27795 1 58 629 GLY . 27795 1 59 630 SER . 27795 1 60 631 CYS . 27795 1 61 632 ASP . 27795 1 62 633 VAL . 27795 1 63 634 ARG . 27795 1 64 635 TYR . 27795 1 65 636 TRP . 27795 1 66 637 PRO . 27795 1 67 638 GLN . 27795 1 68 639 GLU . 27795 1 69 640 ALA . 27795 1 70 641 GLY . 27795 1 71 642 GLU . 27795 1 72 643 TYR . 27795 1 73 644 ALA . 27795 1 74 645 VAL . 27795 1 75 646 HIS . 27795 1 76 647 VAL . 27795 1 77 648 LEU . 27795 1 78 649 CYS . 27795 1 79 650 ASN . 27795 1 80 651 SER . 27795 1 81 652 GLU . 27795 1 82 653 ASP . 27795 1 83 654 ILE . 27795 1 84 655 ARG . 27795 1 85 656 LEU . 27795 1 86 657 SER . 27795 1 87 658 PRO . 27795 1 88 659 PHE . 27795 1 89 660 MET . 27795 1 90 661 ALA . 27795 1 91 662 ASP . 27795 1 92 663 ILE . 27795 1 93 664 ARG . 27795 1 94 665 ASP . 27795 1 95 666 ALA . 27795 1 96 667 PRO . 27795 1 97 668 GLN . 27795 1 98 669 ASP . 27795 1 99 670 PHE . 27795 1 100 671 HIS . 27795 1 101 672 PRO . 27795 1 102 673 ASP . 27795 1 103 674 ARG . 27795 1 104 675 VAL . 27795 1 105 676 LYS . 27795 1 106 677 ALA . 27795 1 107 678 ARG . 27795 1 108 679 GLY . 27795 1 109 680 PRO . 27795 1 110 681 GLY . 27795 1 111 682 LEU . 27795 1 112 683 GLU . 27795 1 113 684 LYS . 27795 1 114 685 THR . 27795 1 115 686 GLY . 27795 1 116 687 VAL . 27795 1 117 688 ALA . 27795 1 118 689 VAL . 27795 1 119 690 ASN . 27795 1 120 691 LYS . 27795 1 121 692 PRO . 27795 1 122 693 ALA . 27795 1 123 694 GLU . 27795 1 124 695 PHE . 27795 1 125 696 THR . 27795 1 126 697 VAL . 27795 1 127 698 ASP . 27795 1 128 699 ALA . 27795 1 129 700 LYS . 27795 1 130 701 HIS . 27795 1 131 702 GLY . 27795 1 132 703 GLY . 27795 1 133 704 LYS . 27795 1 134 705 ALA . 27795 1 135 706 PRO . 27795 1 136 707 LEU . 27795 1 137 708 ARG . 27795 1 138 709 VAL . 27795 1 139 710 GLN . 27795 1 140 711 VAL . 27795 1 141 712 GLN . 27795 1 142 713 ASP . 27795 1 143 714 ASN . 27795 1 144 715 GLU . 27795 1 145 716 GLY . 27795 1 146 717 CYS . 27795 1 147 718 PRO . 27795 1 148 719 VAL . 27795 1 149 720 GLU . 27795 1 150 721 ALA . 27795 1 151 722 LEU . 27795 1 152 723 VAL . 27795 1 153 724 LYS . 27795 1 154 725 ASP . 27795 1 155 726 ASN . 27795 1 156 727 GLY . 27795 1 157 728 ASN . 27795 1 158 729 GLY . 27795 1 159 730 THR . 27795 1 160 731 TYR . 27795 1 161 732 SER . 27795 1 162 733 CYS . 27795 1 163 734 SER . 27795 1 164 735 TYR . 27795 1 165 736 VAL . 27795 1 166 737 PRO . 27795 1 167 738 ARG . 27795 1 168 739 LYS . 27795 1 169 740 PRO . 27795 1 170 741 VAL . 27795 1 171 742 LYS . 27795 1 172 743 HIS . 27795 1 173 744 THR . 27795 1 174 745 ALA . 27795 1 175 746 MET . 27795 1 176 747 VAL . 27795 1 177 748 SER . 27795 1 178 749 TRP . 27795 1 179 750 GLY . 27795 1 180 751 GLY . 27795 1 181 752 VAL . 27795 1 182 753 SER . 27795 1 183 754 ILE . 27795 1 184 755 PRO . 27795 1 185 756 ASN . 27795 1 186 757 SER . 27795 1 187 758 PRO . 27795 1 188 759 PHE . 27795 1 189 760 ARG . 27795 1 190 761 VAL . 27795 1 191 762 ASN . 27795 1 192 763 VAL . 27795 1 193 764 GLY . 27795 1 194 765 ALA . 27795 1 195 766 GLY . 27795 1 196 767 SER . 27795 1 197 768 HIS . 27795 1 198 769 PRO . 27795 1 199 770 ASN . 27795 1 200 771 LYS . 27795 1 201 772 VAL . 27795 1 202 773 LYS . 27795 1 203 774 VAL . 27795 1 204 775 TYR . 27795 1 205 776 GLY . 27795 1 206 777 PRO . 27795 1 207 778 GLY . 27795 1 208 779 VAL . 27795 1 209 780 ALA . 27795 1 210 781 LYS . 27795 1 211 782 THR . 27795 1 212 783 GLY . 27795 1 213 784 LEU . 27795 1 214 785 LYS . 27795 1 215 786 ALA . 27795 1 216 787 HIS . 27795 1 217 788 GLU . 27795 1 218 789 PRO . 27795 1 219 790 THR . 27795 1 220 791 TYR . 27795 1 221 792 PHE . 27795 1 222 793 THR . 27795 1 223 794 VAL . 27795 1 224 795 ASP . 27795 1 225 796 CYS . 27795 1 226 797 ALA . 27795 1 227 798 GLU . 27795 1 228 799 ALA . 27795 1 229 800 GLY . 27795 1 230 801 GLN . 27795 1 231 802 GLY . 27795 1 232 803 ASP . 27795 1 233 804 VAL . 27795 1 234 805 SER . 27795 1 235 806 ILE . 27795 1 236 807 GLY . 27795 1 237 808 ILE . 27795 1 238 809 LYS . 27795 1 239 810 CYS . 27795 1 240 811 ALA . 27795 1 241 812 PRO . 27795 1 242 813 GLY . 27795 1 243 814 VAL . 27795 1 244 815 VAL . 27795 1 245 816 GLY . 27795 1 246 817 PRO . 27795 1 247 818 ALA . 27795 1 248 819 GLU . 27795 1 249 820 ALA . 27795 1 250 821 ASP . 27795 1 251 822 ILE . 27795 1 252 823 ASP . 27795 1 253 824 PHE . 27795 1 254 825 ASP . 27795 1 255 826 ILE . 27795 1 256 827 ILE . 27795 1 257 828 ARG . 27795 1 258 829 ASN . 27795 1 259 830 ASP . 27795 1 260 831 ASN . 27795 1 261 832 ASP . 27795 1 262 833 THR . 27795 1 263 834 PHE . 27795 1 264 835 THR . 27795 1 265 836 VAL . 27795 1 266 837 LYS . 27795 1 267 838 TYR . 27795 1 268 839 THR . 27795 1 269 840 PRO . 27795 1 270 841 ARG . 27795 1 271 842 GLY . 27795 1 272 843 ALA . 27795 1 273 844 GLY . 27795 1 274 845 SER . 27795 1 275 846 TYR . 27795 1 276 847 THR . 27795 1 277 848 ILE . 27795 1 278 849 MET . 27795 1 279 850 VAL . 27795 1 280 851 LEU . 27795 1 281 852 PHE . 27795 1 282 853 ALA . 27795 1 283 854 ASP . 27795 1 284 855 GLN . 27795 1 285 856 ALA . 27795 1 286 857 THR . 27795 1 287 858 PRO . 27795 1 288 859 THR . 27795 1 289 860 SER . 27795 1 290 861 PRO . 27795 1 291 862 ILE . 27795 1 292 863 ARG . 27795 1 293 864 VAL . 27795 1 294 865 LYS . 27795 1 295 866 VAL . 27795 1 296 867 GLU . 27795 1 297 868 PRO . 27795 1 298 869 SER . 27795 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 27795 1 . MET 2 2 27795 1 . CYS 3 3 27795 1 . GLY 4 4 27795 1 . ASN 5 5 27795 1 . GLN 6 6 27795 1 . LYS 7 7 27795 1 . VAL 8 8 27795 1 . ARG 9 9 27795 1 . ALA 10 10 27795 1 . TRP 11 11 27795 1 . GLY 12 12 27795 1 . PRO 13 13 27795 1 . GLY 14 14 27795 1 . LEU 15 15 27795 1 . GLU 16 16 27795 1 . GLY 17 17 27795 1 . GLY 18 18 27795 1 . VAL 19 19 27795 1 . VAL 20 20 27795 1 . GLY 21 21 27795 1 . LYS 22 22 27795 1 . SER 23 23 27795 1 . ALA 24 24 27795 1 . ASP 25 25 27795 1 . PHE 26 26 27795 1 . VAL 27 27 27795 1 . VAL 28 28 27795 1 . GLU 29 29 27795 1 . ALA 30 30 27795 1 . ILE 31 31 27795 1 . GLY 32 32 27795 1 . ASP 33 33 27795 1 . ASP 34 34 27795 1 . VAL 35 35 27795 1 . GLY 36 36 27795 1 . THR 37 37 27795 1 . LEU 38 38 27795 1 . GLY 39 39 27795 1 . PHE 40 40 27795 1 . SER 41 41 27795 1 . VAL 42 42 27795 1 . GLU 43 43 27795 1 . GLY 44 44 27795 1 . PRO 45 45 27795 1 . SER 46 46 27795 1 . GLN 47 47 27795 1 . ALA 48 48 27795 1 . LYS 49 49 27795 1 . ILE 50 50 27795 1 . GLU 51 51 27795 1 . CYS 52 52 27795 1 . ASP 53 53 27795 1 . ASP 54 54 27795 1 . LYS 55 55 27795 1 . GLY 56 56 27795 1 . ASP 57 57 27795 1 . GLY 58 58 27795 1 . SER 59 59 27795 1 . CYS 60 60 27795 1 . ASP 61 61 27795 1 . VAL 62 62 27795 1 . ARG 63 63 27795 1 . TYR 64 64 27795 1 . TRP 65 65 27795 1 . PRO 66 66 27795 1 . GLN 67 67 27795 1 . GLU 68 68 27795 1 . ALA 69 69 27795 1 . GLY 70 70 27795 1 . GLU 71 71 27795 1 . TYR 72 72 27795 1 . ALA 73 73 27795 1 . VAL 74 74 27795 1 . HIS 75 75 27795 1 . VAL 76 76 27795 1 . LEU 77 77 27795 1 . CYS 78 78 27795 1 . ASN 79 79 27795 1 . SER 80 80 27795 1 . GLU 81 81 27795 1 . ASP 82 82 27795 1 . ILE 83 83 27795 1 . ARG 84 84 27795 1 . LEU 85 85 27795 1 . SER 86 86 27795 1 . PRO 87 87 27795 1 . PHE 88 88 27795 1 . MET 89 89 27795 1 . ALA 90 90 27795 1 . ASP 91 91 27795 1 . ILE 92 92 27795 1 . ARG 93 93 27795 1 . ASP 94 94 27795 1 . ALA 95 95 27795 1 . PRO 96 96 27795 1 . GLN 97 97 27795 1 . ASP 98 98 27795 1 . PHE 99 99 27795 1 . HIS 100 100 27795 1 . PRO 101 101 27795 1 . ASP 102 102 27795 1 . ARG 103 103 27795 1 . VAL 104 104 27795 1 . LYS 105 105 27795 1 . ALA 106 106 27795 1 . ARG 107 107 27795 1 . GLY 108 108 27795 1 . PRO 109 109 27795 1 . GLY 110 110 27795 1 . LEU 111 111 27795 1 . GLU 112 112 27795 1 . LYS 113 113 27795 1 . THR 114 114 27795 1 . GLY 115 115 27795 1 . VAL 116 116 27795 1 . ALA 117 117 27795 1 . VAL 118 118 27795 1 . ASN 119 119 27795 1 . LYS 120 120 27795 1 . PRO 121 121 27795 1 . ALA 122 122 27795 1 . GLU 123 123 27795 1 . PHE 124 124 27795 1 . THR 125 125 27795 1 . VAL 126 126 27795 1 . ASP 127 127 27795 1 . ALA 128 128 27795 1 . LYS 129 129 27795 1 . HIS 130 130 27795 1 . GLY 131 131 27795 1 . GLY 132 132 27795 1 . LYS 133 133 27795 1 . ALA 134 134 27795 1 . PRO 135 135 27795 1 . LEU 136 136 27795 1 . ARG 137 137 27795 1 . VAL 138 138 27795 1 . GLN 139 139 27795 1 . VAL 140 140 27795 1 . GLN 141 141 27795 1 . ASP 142 142 27795 1 . ASN 143 143 27795 1 . GLU 144 144 27795 1 . GLY 145 145 27795 1 . CYS 146 146 27795 1 . PRO 147 147 27795 1 . VAL 148 148 27795 1 . GLU 149 149 27795 1 . ALA 150 150 27795 1 . LEU 151 151 27795 1 . VAL 152 152 27795 1 . LYS 153 153 27795 1 . ASP 154 154 27795 1 . ASN 155 155 27795 1 . GLY 156 156 27795 1 . ASN 157 157 27795 1 . GLY 158 158 27795 1 . THR 159 159 27795 1 . TYR 160 160 27795 1 . SER 161 161 27795 1 . CYS 162 162 27795 1 . SER 163 163 27795 1 . TYR 164 164 27795 1 . VAL 165 165 27795 1 . PRO 166 166 27795 1 . ARG 167 167 27795 1 . LYS 168 168 27795 1 . PRO 169 169 27795 1 . VAL 170 170 27795 1 . LYS 171 171 27795 1 . HIS 172 172 27795 1 . THR 173 173 27795 1 . ALA 174 174 27795 1 . MET 175 175 27795 1 . VAL 176 176 27795 1 . SER 177 177 27795 1 . TRP 178 178 27795 1 . GLY 179 179 27795 1 . GLY 180 180 27795 1 . VAL 181 181 27795 1 . SER 182 182 27795 1 . ILE 183 183 27795 1 . PRO 184 184 27795 1 . ASN 185 185 27795 1 . SER 186 186 27795 1 . PRO 187 187 27795 1 . PHE 188 188 27795 1 . ARG 189 189 27795 1 . VAL 190 190 27795 1 . ASN 191 191 27795 1 . VAL 192 192 27795 1 . GLY 193 193 27795 1 . ALA 194 194 27795 1 . GLY 195 195 27795 1 . SER 196 196 27795 1 . HIS 197 197 27795 1 . PRO 198 198 27795 1 . ASN 199 199 27795 1 . LYS 200 200 27795 1 . VAL 201 201 27795 1 . LYS 202 202 27795 1 . VAL 203 203 27795 1 . TYR 204 204 27795 1 . GLY 205 205 27795 1 . PRO 206 206 27795 1 . GLY 207 207 27795 1 . VAL 208 208 27795 1 . ALA 209 209 27795 1 . LYS 210 210 27795 1 . THR 211 211 27795 1 . GLY 212 212 27795 1 . LEU 213 213 27795 1 . LYS 214 214 27795 1 . ALA 215 215 27795 1 . HIS 216 216 27795 1 . GLU 217 217 27795 1 . PRO 218 218 27795 1 . THR 219 219 27795 1 . TYR 220 220 27795 1 . PHE 221 221 27795 1 . THR 222 222 27795 1 . VAL 223 223 27795 1 . ASP 224 224 27795 1 . CYS 225 225 27795 1 . ALA 226 226 27795 1 . GLU 227 227 27795 1 . ALA 228 228 27795 1 . GLY 229 229 27795 1 . GLN 230 230 27795 1 . GLY 231 231 27795 1 . ASP 232 232 27795 1 . VAL 233 233 27795 1 . SER 234 234 27795 1 . ILE 235 235 27795 1 . GLY 236 236 27795 1 . ILE 237 237 27795 1 . LYS 238 238 27795 1 . CYS 239 239 27795 1 . ALA 240 240 27795 1 . PRO 241 241 27795 1 . GLY 242 242 27795 1 . VAL 243 243 27795 1 . VAL 244 244 27795 1 . GLY 245 245 27795 1 . PRO 246 246 27795 1 . ALA 247 247 27795 1 . GLU 248 248 27795 1 . ALA 249 249 27795 1 . ASP 250 250 27795 1 . ILE 251 251 27795 1 . ASP 252 252 27795 1 . PHE 253 253 27795 1 . ASP 254 254 27795 1 . ILE 255 255 27795 1 . ILE 256 256 27795 1 . ARG 257 257 27795 1 . ASN 258 258 27795 1 . ASP 259 259 27795 1 . ASN 260 260 27795 1 . ASP 261 261 27795 1 . THR 262 262 27795 1 . PHE 263 263 27795 1 . THR 264 264 27795 1 . VAL 265 265 27795 1 . LYS 266 266 27795 1 . TYR 267 267 27795 1 . THR 268 268 27795 1 . PRO 269 269 27795 1 . ARG 270 270 27795 1 . GLY 271 271 27795 1 . ALA 272 272 27795 1 . GLY 273 273 27795 1 . SER 274 274 27795 1 . TYR 275 275 27795 1 . THR 276 276 27795 1 . ILE 277 277 27795 1 . MET 278 278 27795 1 . VAL 279 279 27795 1 . LEU 280 280 27795 1 . PHE 281 281 27795 1 . ALA 282 282 27795 1 . ASP 283 283 27795 1 . GLN 284 284 27795 1 . ALA 285 285 27795 1 . THR 286 286 27795 1 . PRO 287 287 27795 1 . THR 288 288 27795 1 . SER 289 289 27795 1 . PRO 290 290 27795 1 . ILE 291 291 27795 1 . ARG 292 292 27795 1 . VAL 293 293 27795 1 . LYS 294 294 27795 1 . VAL 295 295 27795 1 . GLU 296 296 27795 1 . PRO 297 297 27795 1 . SER 298 298 27795 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 27795 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FLNa4-6 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . FLNA . 27795 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 27795 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FLNa4-6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGTvL1-SGC . . . 27795 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27795 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 FLNa4-6 '[U-100% 13C; U-100% 15N]' . . 1 $FLNa4-6 . . 0.8 0.5 1.1 mM . . . . 27795 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 27795 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27795 1 pH 7.0 . pH 27795 1 pressure 1 . atm 27795 1 temperature 273 . K 27795 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27795 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27795 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27795 1 . 'peak picking' 27795 1 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 27795 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27795 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27795 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 27795 _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 . . . . . . . . . . . . . . . . 27795 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27795 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27795 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27795 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27795 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27795 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 27795 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27795 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27795 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27795 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 27795 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27795 1 2 '3D CBCA(CO)NH' . . . 27795 1 4 '3D HNCA' . . . 27795 1 5 '3D HNCACB' . . . 27795 1 6 '3D HN(CO)CA' . . . 27795 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27795 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER H H 1 7.378 0.000 . . . . . . . 572 S H . 27795 1 2 . 1 . 1 1 1 SER CA C 13 54.193 0.000 . . . . . . . 572 S CA . 27795 1 3 . 1 . 1 1 1 SER CB C 13 64.065 0.000 . . . . . . . 572 S CB . 27795 1 4 . 1 . 1 1 1 SER N N 15 110.888 0.000 . . . . . . . 572 S N . 27795 1 5 . 1 . 1 3 3 CYS CB C 13 27.467 0.000 . . . . . . . 574 C CB . 27795 1 6 . 1 . 1 4 4 GLY H H 1 7.274 0.005 . . . . . . . 575 G H . 27795 1 7 . 1 . 1 4 4 GLY CA C 13 43.486 0.032 . . . . . . . 575 G CA . 27795 1 8 . 1 . 1 4 4 GLY N N 15 119.434 0.017 . . . . . . . 575 G N . 27795 1 9 . 1 . 1 6 6 GLN CA C 13 55.723 0.000 . . . . . . . 577 Q CA . 27795 1 10 . 1 . 1 6 6 GLN CG C 13 34.071 0.000 . . . . . . . 577 Q CG . 27795 1 11 . 1 . 1 7 7 LYS H H 1 6.975 0.018 . . . . . . . 578 K H . 27795 1 12 . 1 . 1 7 7 LYS N N 15 115.589 0.000 . . . . . . . 578 K N . 27795 1 13 . 1 . 1 8 8 VAL CA C 13 61.710 0.099 . . . . . . . 579 V CA . 27795 1 14 . 1 . 1 8 8 VAL CB C 13 32.850 0.058 . . . . . . . 579 V CB . 27795 1 15 . 1 . 1 8 8 VAL CG1 C 13 21.179 0.000 . . . . . . . 579 V CG# . 27795 1 16 . 1 . 1 8 8 VAL CG2 C 13 21.179 0.000 . . . . . . . 579 V CG# . 27795 1 17 . 1 . 1 9 9 ARG H H 1 9.005 0.012 . . . . . . . 580 R H . 27795 1 18 . 1 . 1 9 9 ARG CA C 13 50.874 8.376 . . . . . . . 580 R CA . 27795 1 19 . 1 . 1 9 9 ARG CB C 13 30.341 0.064 . . . . . . . 580 R CB . 27795 1 20 . 1 . 1 9 9 ARG N N 15 129.434 0.033 . . . . . . . 580 R N . 27795 1 21 . 1 . 1 10 10 ALA H H 1 7.527 0.022 . . . . . . . 581 A H . 27795 1 22 . 1 . 1 10 10 ALA CA C 13 50.858 0.087 . . . . . . . 581 A CA . 27795 1 23 . 1 . 1 10 10 ALA CB C 13 17.699 0.000 . . . . . . . 581 A CB . 27795 1 24 . 1 . 1 10 10 ALA N N 15 122.055 0.045 . . . . . . . 581 A N . 27795 1 25 . 1 . 1 11 11 TRP CA C 13 54.389 0.060 . . . . . . . 582 W CA . 27795 1 26 . 1 . 1 11 11 TRP CB C 13 32.116 0.033 . . . . . . . 582 W CB . 27795 1 27 . 1 . 1 12 12 GLY H H 1 8.419 0.007 . . . . . . . 583 G H . 27795 1 28 . 1 . 1 12 12 GLY CA C 13 45.298 0.029 . . . . . . . 583 G CA . 27795 1 29 . 1 . 1 12 12 GLY N N 15 112.082 0.026 . . . . . . . 583 G N . 27795 1 30 . 1 . 1 13 13 PRO CA C 13 66.016 0.219 . . . . . . . 584 P CA . 27795 1 31 . 1 . 1 13 13 PRO CB C 13 31.304 0.000 . . . . . . . 584 P CB . 27795 1 32 . 1 . 1 14 14 GLY H H 1 9.454 0.008 . . . . . . . 585 G H . 27795 1 33 . 1 . 1 14 14 GLY CA C 13 46.528 0.089 . . . . . . . 585 G CA . 27795 1 34 . 1 . 1 14 14 GLY N N 15 106.118 0.049 . . . . . . . 585 G N . 27795 1 35 . 1 . 1 15 15 LEU H H 1 7.265 0.009 . . . . . . . 586 L H . 27795 1 36 . 1 . 1 15 15 LEU CA C 13 54.509 0.033 . . . . . . . 586 L CA . 27795 1 37 . 1 . 1 15 15 LEU CB C 13 39.660 0.000 . . . . . . . 586 L CB . 27795 1 38 . 1 . 1 15 15 LEU N N 15 115.788 0.064 . . . . . . . 586 L N . 27795 1 39 . 1 . 1 16 16 GLU H H 1 7.590 0.004 . . . . . . . 587 E H . 27795 1 40 . 1 . 1 16 16 GLU CA C 13 55.946 0.101 . . . . . . . 587 E CA . 27795 1 41 . 1 . 1 16 16 GLU CB C 13 32.561 0.006 . . . . . . . 587 E CB . 27795 1 42 . 1 . 1 16 16 GLU N N 15 113.062 0.015 . . . . . . . 587 E N . 27795 1 43 . 1 . 1 17 17 GLY H H 1 8.310 0.007 . . . . . . . 588 G H . 27795 1 44 . 1 . 1 17 17 GLY CA C 13 47.204 0.029 . . . . . . . 588 G CA . 27795 1 45 . 1 . 1 17 17 GLY N N 15 109.332 0.074 . . . . . . . 588 G N . 27795 1 46 . 1 . 1 18 18 GLY H H 1 7.371 0.005 . . . . . . . 589 G H . 27795 1 47 . 1 . 1 18 18 GLY CA C 13 44.479 0.050 . . . . . . . 589 G CA . 27795 1 48 . 1 . 1 18 18 GLY N N 15 104.434 0.043 . . . . . . . 589 G N . 27795 1 49 . 1 . 1 19 19 VAL H H 1 9.102 0.008 . . . . . . . 590 V H . 27795 1 50 . 1 . 1 19 19 VAL CA C 13 59.270 0.062 . . . . . . . 590 V CA . 27795 1 51 . 1 . 1 19 19 VAL CB C 13 36.633 0.038 . . . . . . . 590 V CB . 27795 1 52 . 1 . 1 19 19 VAL N N 15 118.035 0.034 . . . . . . . 590 V N . 27795 1 53 . 1 . 1 20 20 VAL H H 1 7.971 0.009 . . . . . . . 591 V H . 27795 1 54 . 1 . 1 20 20 VAL CA C 13 64.998 0.050 . . . . . . . 591 V CA . 27795 1 55 . 1 . 1 20 20 VAL CB C 13 32.240 0.080 . . . . . . . 591 V CB . 27795 1 56 . 1 . 1 20 20 VAL N N 15 123.549 0.046 . . . . . . . 591 V N . 27795 1 57 . 1 . 1 21 21 GLY H H 1 7.903 0.005 . . . . . . . 592 G H . 27795 1 58 . 1 . 1 21 21 GLY CA C 13 45.647 0.093 . . . . . . . 592 G CA . 27795 1 59 . 1 . 1 21 21 GLY N N 15 113.177 0.039 . . . . . . . 592 G N . 27795 1 60 . 1 . 1 22 22 LYS H H 1 7.980 0.005 . . . . . . . 593 K H . 27795 1 61 . 1 . 1 22 22 LYS CA C 13 52.649 0.106 . . . . . . . 593 K CA . 27795 1 62 . 1 . 1 22 22 LYS CB C 13 33.730 0.060 . . . . . . . 593 K CB . 27795 1 63 . 1 . 1 22 22 LYS N N 15 118.933 0.043 . . . . . . . 593 K N . 27795 1 64 . 1 . 1 23 23 SER H H 1 8.289 0.006 . . . . . . . 594 S H . 27795 1 65 . 1 . 1 23 23 SER CA C 13 58.785 0.111 . . . . . . . 594 S CA . 27795 1 66 . 1 . 1 23 23 SER CB C 13 62.023 0.038 . . . . . . . 594 S CB . 27795 1 67 . 1 . 1 23 23 SER N N 15 118.591 0.041 . . . . . . . 594 S N . 27795 1 68 . 1 . 1 24 24 ALA H H 1 8.195 0.006 . . . . . . . 595 A H . 27795 1 69 . 1 . 1 24 24 ALA HB1 H 1 0.198 0.000 . . . . . . . 595 A QB . 27795 1 70 . 1 . 1 24 24 ALA HB2 H 1 0.198 0.000 . . . . . . . 595 A QB . 27795 1 71 . 1 . 1 24 24 ALA HB3 H 1 0.198 0.000 . . . . . . . 595 A QB . 27795 1 72 . 1 . 1 24 24 ALA CA C 13 50.311 0.088 . . . . . . . 595 A CA . 27795 1 73 . 1 . 1 24 24 ALA CB C 13 17.964 0.016 . . . . . . . 595 A CB . 27795 1 74 . 1 . 1 24 24 ALA N N 15 129.032 0.047 . . . . . . . 595 A N . 27795 1 75 . 1 . 1 25 25 ASP H H 1 7.530 0.008 . . . . . . . 596 D H . 27795 1 76 . 1 . 1 25 25 ASP CA C 13 53.786 0.143 . . . . . . . 596 D CA . 27795 1 77 . 1 . 1 25 25 ASP CB C 13 42.993 0.097 . . . . . . . 596 D CB . 27795 1 78 . 1 . 1 25 25 ASP N N 15 120.966 0.048 . . . . . . . 596 D N . 27795 1 79 . 1 . 1 26 26 PHE H H 1 9.390 0.007 . . . . . . . 597 F H . 27795 1 80 . 1 . 1 26 26 PHE CA C 13 56.850 0.108 . . . . . . . 597 F CA . 27795 1 81 . 1 . 1 26 26 PHE CB C 13 39.266 0.187 . . . . . . . 597 F CB . 27795 1 82 . 1 . 1 26 26 PHE N N 15 116.832 0.069 . . . . . . . 597 F N . 27795 1 83 . 1 . 1 27 27 VAL H H 1 8.889 0.010 . . . . . . . 598 V H . 27795 1 84 . 1 . 1 27 27 VAL CA C 13 61.196 0.567 . . . . . . . 598 V CA . 27795 1 85 . 1 . 1 27 27 VAL CB C 13 34.663 0.035 . . . . . . . 598 V CB . 27795 1 86 . 1 . 1 27 27 VAL N N 15 120.477 0.068 . . . . . . . 598 V N . 27795 1 87 . 1 . 1 28 28 VAL H H 1 8.217 0.009 . . . . . . . 599 V H . 27795 1 88 . 1 . 1 28 28 VAL CA C 13 61.411 1.704 . . . . . . . 599 V CA . 27795 1 89 . 1 . 1 28 28 VAL CB C 13 29.738 0.000 . . . . . . . 599 V CB . 27795 1 90 . 1 . 1 28 28 VAL N N 15 121.848 0.210 . . . . . . . 599 V N . 27795 1 91 . 1 . 1 29 29 GLU H H 1 9.400 0.009 . . . . . . . 600 E H . 27795 1 92 . 1 . 1 29 29 GLU CA C 13 55.490 0.038 . . . . . . . 600 E CA . 27795 1 93 . 1 . 1 29 29 GLU N N 15 121.126 0.018 . . . . . . . 600 E N . 27795 1 94 . 1 . 1 30 30 ALA H H 1 9.349 0.010 . . . . . . . 601 A H . 27795 1 95 . 1 . 1 30 30 ALA CA C 13 56.329 0.066 . . . . . . . 601 A CA . 27795 1 96 . 1 . 1 30 30 ALA N N 15 127.036 1.128 . . . . . . . 601 A N . 27795 1 97 . 1 . 1 31 31 ILE H H 1 8.240 0.017 . . . . . . . 602 I H . 27795 1 98 . 1 . 1 31 31 ILE CA C 13 61.462 0.054 . . . . . . . 602 I CA . 27795 1 99 . 1 . 1 31 31 ILE CB C 13 38.601 0.061 . . . . . . . 602 I CB . 27795 1 100 . 1 . 1 31 31 ILE CG2 C 13 16.204 0.000 . . . . . . . 602 I CG2 . 27795 1 101 . 1 . 1 31 31 ILE N N 15 116.009 0.020 . . . . . . . 602 I N . 27795 1 102 . 1 . 1 32 32 GLY H H 1 8.144 0.008 . . . . . . . 603 G H . 27795 1 103 . 1 . 1 32 32 GLY CA C 13 44.795 0.089 . . . . . . . 603 G CA . 27795 1 104 . 1 . 1 32 32 GLY N N 15 111.490 0.111 . . . . . . . 603 G N . 27795 1 105 . 1 . 1 33 33 ASP H H 1 8.282 0.005 . . . . . . . 604 D H . 27795 1 106 . 1 . 1 33 33 ASP CA C 13 54.822 0.075 . . . . . . . 604 D CA . 27795 1 107 . 1 . 1 33 33 ASP CB C 13 41.422 0.270 . . . . . . . 604 D CB . 27795 1 108 . 1 . 1 33 33 ASP N N 15 119.592 0.078 . . . . . . . 604 D N . 27795 1 109 . 1 . 1 34 34 ASP H H 1 8.360 0.005 . . . . . . . 605 D H . 27795 1 110 . 1 . 1 34 34 ASP CA C 13 52.206 4.308 . . . . . . . 605 D CA . 27795 1 111 . 1 . 1 34 34 ASP CB C 13 40.917 0.060 . . . . . . . 605 D CB . 27795 1 112 . 1 . 1 34 34 ASP N N 15 118.702 0.028 . . . . . . . 605 D N . 27795 1 113 . 1 . 1 35 35 VAL H H 1 7.912 0.006 . . . . . . . 606 V H . 27795 1 114 . 1 . 1 35 35 VAL CA C 13 63.734 0.086 . . . . . . . 606 V CA . 27795 1 115 . 1 . 1 35 35 VAL CB C 13 32.201 0.039 . . . . . . . 606 V CB . 27795 1 116 . 1 . 1 35 35 VAL N N 15 119.689 0.033 . . . . . . . 606 V N . 27795 1 117 . 1 . 1 36 36 GLY H H 1 8.027 0.006 . . . . . . . 607 G H . 27795 1 118 . 1 . 1 36 36 GLY CA C 13 44.993 0.036 . . . . . . . 607 G CA . 27795 1 119 . 1 . 1 36 36 GLY N N 15 108.519 0.023 . . . . . . . 607 G N . 27795 1 120 . 1 . 1 37 37 THR H H 1 7.907 0.007 . . . . . . . 608 T H . 27795 1 121 . 1 . 1 37 37 THR CA C 13 62.202 0.089 . . . . . . . 608 T CA . 27795 1 122 . 1 . 1 37 37 THR CB C 13 69.896 0.033 . . . . . . . 608 T CB . 27795 1 123 . 1 . 1 37 37 THR N N 15 114.216 0.017 . . . . . . . 608 T N . 27795 1 124 . 1 . 1 38 38 LEU H H 1 8.437 0.006 . . . . . . . 609 L H . 27795 1 125 . 1 . 1 38 38 LEU CA C 13 53.998 0.094 . . . . . . . 609 L CA . 27795 1 126 . 1 . 1 38 38 LEU CB C 13 43.326 0.192 . . . . . . . 609 L CB . 27795 1 127 . 1 . 1 38 38 LEU N N 15 128.815 0.070 . . . . . . . 609 L N . 27795 1 128 . 1 . 1 39 39 GLY H H 1 8.325 0.009 . . . . . . . 610 G H . 27795 1 129 . 1 . 1 39 39 GLY CA C 13 43.803 0.050 . . . . . . . 610 G CA . 27795 1 130 . 1 . 1 39 39 GLY N N 15 110.646 0.062 . . . . . . . 610 G N . 27795 1 131 . 1 . 1 40 40 PHE H H 1 8.067 0.010 . . . . . . . 611 F H . 27795 1 132 . 1 . 1 40 40 PHE CA C 13 55.877 0.072 . . . . . . . 611 F CA . 27795 1 133 . 1 . 1 40 40 PHE CB C 13 44.577 0.042 . . . . . . . 611 F CB . 27795 1 134 . 1 . 1 40 40 PHE N N 15 114.406 0.099 . . . . . . . 611 F N . 27795 1 135 . 1 . 1 41 41 SER H H 1 8.467 0.006 . . . . . . . 612 S H . 27795 1 136 . 1 . 1 41 41 SER CA C 13 58.146 0.133 . . . . . . . 612 S CA . 27795 1 137 . 1 . 1 41 41 SER CB C 13 64.982 0.076 . . . . . . . 612 S CB . 27795 1 138 . 1 . 1 41 41 SER N N 15 115.640 0.043 . . . . . . . 612 S N . 27795 1 139 . 1 . 1 42 42 VAL H H 1 8.842 0.007 . . . . . . . 613 V H . 27795 1 140 . 1 . 1 42 42 VAL CA C 13 61.167 0.075 . . . . . . . 613 V CA . 27795 1 141 . 1 . 1 42 42 VAL N N 15 124.331 0.036 . . . . . . . 613 V N . 27795 1 142 . 1 . 1 43 43 GLU H H 1 8.816 0.005 . . . . . . . 614 E H . 27795 1 143 . 1 . 1 43 43 GLU CA C 13 56.635 0.105 . . . . . . . 614 E CA . 27795 1 144 . 1 . 1 43 43 GLU CB C 13 56.717 0.000 . . . . . . . 614 E CB . 27795 1 145 . 1 . 1 43 43 GLU N N 15 122.032 0.042 . . . . . . . 614 E N . 27795 1 146 . 1 . 1 44 44 GLY H H 1 8.695 0.008 . . . . . . . 615 G H . 27795 1 147 . 1 . 1 44 44 GLY CA C 13 44.461 0.018 . . . . . . . 615 G CA . 27795 1 148 . 1 . 1 44 44 GLY N N 15 107.194 0.023 . . . . . . . 615 G N . 27795 1 149 . 1 . 1 45 45 PRO CA C 13 64.231 0.058 . . . . . . . 616 P CA . 27795 1 150 . 1 . 1 45 45 PRO CB C 13 32.060 0.017 . . . . . . . 616 P CB . 27795 1 151 . 1 . 1 46 46 SER H H 1 6.970 0.008 . . . . . . . 617 S H . 27795 1 152 . 1 . 1 46 46 SER CA C 13 56.712 0.050 . . . . . . . 617 S CA . 27795 1 153 . 1 . 1 46 46 SER CB C 13 65.952 0.000 . . . . . . . 617 S CB . 27795 1 154 . 1 . 1 46 46 SER N N 15 107.633 0.081 . . . . . . . 617 S N . 27795 1 155 . 1 . 1 47 47 GLN CA C 13 56.583 0.085 . . . . . . . 618 Q CA . 27795 1 156 . 1 . 1 47 47 GLN CB C 13 28.895 0.049 . . . . . . . 618 Q CB . 27795 1 157 . 1 . 1 48 48 ALA H H 1 8.740 0.005 . . . . . . . 619 A H . 27795 1 158 . 1 . 1 48 48 ALA CA C 13 50.991 0.149 . . . . . . . 619 A CA . 27795 1 159 . 1 . 1 48 48 ALA CB C 13 21.180 0.079 . . . . . . . 619 A CB . 27795 1 160 . 1 . 1 48 48 ALA N N 15 129.068 0.047 . . . . . . . 619 A N . 27795 1 161 . 1 . 1 49 49 LYS H H 1 8.831 0.005 . . . . . . . 620 K H . 27795 1 162 . 1 . 1 49 49 LYS CA C 13 57.194 0.096 . . . . . . . 620 K CA . 27795 1 163 . 1 . 1 49 49 LYS CB C 13 33.436 0.081 . . . . . . . 620 K CB . 27795 1 164 . 1 . 1 49 49 LYS N N 15 125.184 0.036 . . . . . . . 620 K N . 27795 1 165 . 1 . 1 50 50 ILE H H 1 8.407 0.007 . . . . . . . 621 I H . 27795 1 166 . 1 . 1 50 50 ILE CA C 13 59.888 0.068 . . . . . . . 621 I CA . 27795 1 167 . 1 . 1 50 50 ILE CB C 13 41.640 0.040 . . . . . . . 621 I CB . 27795 1 168 . 1 . 1 50 50 ILE N N 15 123.654 0.043 . . . . . . . 621 I N . 27795 1 169 . 1 . 1 51 51 GLU H H 1 9.285 0.005 . . . . . . . 622 E H . 27795 1 170 . 1 . 1 51 51 GLU CA C 13 54.645 0.093 . . . . . . . 622 E CA . 27795 1 171 . 1 . 1 51 51 GLU CB C 13 34.172 0.084 . . . . . . . 622 E CB . 27795 1 172 . 1 . 1 51 51 GLU N N 15 126.170 0.070 . . . . . . . 622 E N . 27795 1 173 . 1 . 1 52 52 CYS H H 1 8.476 0.008 . . . . . . . 623 C H . 27795 1 174 . 1 . 1 52 52 CYS CA C 13 56.748 0.062 . . . . . . . 623 C CA . 27795 1 175 . 1 . 1 52 52 CYS CB C 13 29.061 0.032 . . . . . . . 623 C CB . 27795 1 176 . 1 . 1 52 52 CYS N N 15 120.175 0.078 . . . . . . . 623 C N . 27795 1 177 . 1 . 1 53 53 ASP H H 1 9.318 0.007 . . . . . . . 624 D H . 27795 1 178 . 1 . 1 53 53 ASP CA C 13 52.726 0.047 . . . . . . . 624 D CA . 27795 1 179 . 1 . 1 53 53 ASP CB C 13 43.105 0.038 . . . . . . . 624 D CB . 27795 1 180 . 1 . 1 53 53 ASP N N 15 129.033 0.045 . . . . . . . 624 D N . 27795 1 181 . 1 . 1 54 54 ASP H H 1 8.684 0.009 . . . . . . . 625 D H . 27795 1 182 . 1 . 1 54 54 ASP CA C 13 54.828 0.141 . . . . . . . 625 D CA . 27795 1 183 . 1 . 1 54 54 ASP CB C 13 41.120 0.000 . . . . . . . 625 D CB . 27795 1 184 . 1 . 1 54 54 ASP N N 15 125.618 0.043 . . . . . . . 625 D N . 27795 1 185 . 1 . 1 55 55 LYS H H 1 8.539 0.006 . . . . . . . 626 K H . 27795 1 186 . 1 . 1 55 55 LYS CA C 13 54.349 0.072 . . . . . . . 626 K CA . 27795 1 187 . 1 . 1 55 55 LYS CB C 13 30.091 0.055 . . . . . . . 626 K CB . 27795 1 188 . 1 . 1 55 55 LYS N N 15 125.684 0.085 . . . . . . . 626 K N . 27795 1 189 . 1 . 1 56 56 GLY H H 1 9.034 0.008 . . . . . . . 627 G H . 27795 1 190 . 1 . 1 56 56 GLY CA C 13 46.037 0.083 . . . . . . . 627 G CA . 27795 1 191 . 1 . 1 56 56 GLY N N 15 108.972 0.087 . . . . . . . 627 G N . 27795 1 192 . 1 . 1 57 57 ASP H H 1 8.051 0.005 . . . . . . . 628 D H . 27795 1 193 . 1 . 1 57 57 ASP CA C 13 52.679 0.085 . . . . . . . 628 D CA . 27795 1 194 . 1 . 1 57 57 ASP CB C 13 41.259 0.103 . . . . . . . 628 D CB . 27795 1 195 . 1 . 1 57 57 ASP N N 15 118.536 0.036 . . . . . . . 628 D N . 27795 1 196 . 1 . 1 58 58 GLY H H 1 8.938 0.007 . . . . . . . 629 G H . 27795 1 197 . 1 . 1 58 58 GLY CA C 13 45.527 0.084 . . . . . . . 629 G CA . 27795 1 198 . 1 . 1 58 58 GLY N N 15 110.297 0.070 . . . . . . . 629 G N . 27795 1 199 . 1 . 1 59 59 SER H H 1 8.180 0.009 . . . . . . . 630 S H . 27795 1 200 . 1 . 1 59 59 SER CA C 13 56.813 0.800 . . . . . . . 630 S CA . 27795 1 201 . 1 . 1 59 59 SER CB C 13 67.862 0.036 . . . . . . . 630 S CB . 27795 1 202 . 1 . 1 59 59 SER N N 15 116.169 0.123 . . . . . . . 630 S N . 27795 1 203 . 1 . 1 60 60 CYS H H 1 8.965 0.006 . . . . . . . 631 C H . 27795 1 204 . 1 . 1 60 60 CYS CB C 13 31.849 0.000 . . . . . . . 631 C CB . 27795 1 205 . 1 . 1 60 60 CYS N N 15 116.131 0.082 . . . . . . . 631 C N . 27795 1 206 . 1 . 1 61 61 ASP CA C 13 53.943 0.000 . . . . . . . 632 D CA . 27795 1 207 . 1 . 1 61 61 ASP CB C 13 41.753 0.000 . . . . . . . 632 D CB . 27795 1 208 . 1 . 1 62 62 VAL H H 1 8.375 0.021 . . . . . . . 633 V H . 27795 1 209 . 1 . 1 62 62 VAL CA C 13 60.570 0.000 . . . . . . . 633 V CA . 27795 1 210 . 1 . 1 62 62 VAL CB C 13 32.217 0.000 . . . . . . . 633 V CB . 27795 1 211 . 1 . 1 62 62 VAL N N 15 124.548 0.000 . . . . . . . 633 V N . 27795 1 212 . 1 . 1 63 63 ARG H H 1 8.418 0.000 . . . . . . . 634 R H . 27795 1 213 . 1 . 1 63 63 ARG CA C 13 53.685 0.167 . . . . . . . 634 R CA . 27795 1 214 . 1 . 1 63 63 ARG CB C 13 33.428 0.319 . . . . . . . 634 R CB . 27795 1 215 . 1 . 1 63 63 ARG N N 15 120.964 0.000 . . . . . . . 634 R N . 27795 1 216 . 1 . 1 64 64 TYR H H 1 8.093 0.007 . . . . . . . 635 Y H . 27795 1 217 . 1 . 1 64 64 TYR CA C 13 55.863 1.845 . . . . . . . 635 Y CA . 27795 1 218 . 1 . 1 64 64 TYR CB C 13 42.109 0.107 . . . . . . . 635 Y CB . 27795 1 219 . 1 . 1 64 64 TYR N N 15 115.752 0.018 . . . . . . . 635 Y N . 27795 1 220 . 1 . 1 65 65 TRP H H 1 7.758 0.001 . . . . . . . 636 W H . 27795 1 221 . 1 . 1 65 65 TRP CB C 13 29.531 0.000 . . . . . . . 636 W CB . 27795 1 222 . 1 . 1 65 65 TRP N N 15 118.521 0.014 . . . . . . . 636 W N . 27795 1 223 . 1 . 1 67 67 GLN CA C 13 55.540 0.121 . . . . . . . 638 Q CA . 27795 1 224 . 1 . 1 67 67 GLN CB C 13 30.417 0.207 . . . . . . . 638 Q CB . 27795 1 225 . 1 . 1 68 68 GLU H H 1 6.983 0.006 . . . . . . . 639 E H . 27795 1 226 . 1 . 1 68 68 GLU CA C 13 54.788 0.084 . . . . . . . 639 E CA . 27795 1 227 . 1 . 1 68 68 GLU CB C 13 33.915 0.080 . . . . . . . 639 E CB . 27795 1 228 . 1 . 1 68 68 GLU N N 15 115.688 0.118 . . . . . . . 639 E N . 27795 1 229 . 1 . 1 69 69 ALA H H 1 9.393 0.007 . . . . . . . 640 A H . 27795 1 230 . 1 . 1 69 69 ALA CA C 13 53.153 0.120 . . . . . . . 640 A CA . 27795 1 231 . 1 . 1 69 69 ALA CB C 13 18.878 0.116 . . . . . . . 640 A CB . 27795 1 232 . 1 . 1 69 69 ALA N N 15 130.833 0.066 . . . . . . . 640 A N . 27795 1 233 . 1 . 1 70 70 GLY H H 1 8.866 0.006 . . . . . . . 641 G H . 27795 1 234 . 1 . 1 70 70 GLY CA C 13 44.398 0.051 . . . . . . . 641 G CA . 27795 1 235 . 1 . 1 70 70 GLY N N 15 107.460 0.012 . . . . . . . 641 G N . 27795 1 236 . 1 . 1 71 71 GLU H H 1 8.165 0.006 . . . . . . . 642 E H . 27795 1 237 . 1 . 1 71 71 GLU CA C 13 56.382 0.579 . . . . . . . 642 E CA . 27795 1 238 . 1 . 1 71 71 GLU CB C 13 30.940 0.154 . . . . . . . 642 E CB . 27795 1 239 . 1 . 1 71 71 GLU N N 15 120.564 0.026 . . . . . . . 642 E N . 27795 1 240 . 1 . 1 72 72 TYR H H 1 8.615 0.009 . . . . . . . 643 Y H . 27795 1 241 . 1 . 1 72 72 TYR CA C 13 56.411 0.117 . . . . . . . 643 Y CA . 27795 1 242 . 1 . 1 72 72 TYR CB C 13 40.101 0.056 . . . . . . . 643 Y CB . 27795 1 243 . 1 . 1 72 72 TYR N N 15 124.658 0.040 . . . . . . . 643 Y N . 27795 1 244 . 1 . 1 73 73 ALA H H 1 8.951 0.005 . . . . . . . 644 A H . 27795 1 245 . 1 . 1 73 73 ALA CA C 13 50.288 0.085 . . . . . . . 644 A CA . 27795 1 246 . 1 . 1 73 73 ALA CB C 13 19.973 0.066 . . . . . . . 644 A CB . 27795 1 247 . 1 . 1 73 73 ALA N N 15 125.344 0.071 . . . . . . . 644 A N . 27795 1 248 . 1 . 1 74 74 VAL H H 1 9.537 0.015 . . . . . . . 645 V H . 27795 1 249 . 1 . 1 74 74 VAL CA C 13 62.142 0.067 . . . . . . . 645 V CA . 27795 1 250 . 1 . 1 74 74 VAL CB C 13 32.452 0.062 . . . . . . . 645 V CB . 27795 1 251 . 1 . 1 74 74 VAL N N 15 126.529 0.032 . . . . . . . 645 V N . 27795 1 252 . 1 . 1 75 75 HIS H H 1 9.520 0.007 . . . . . . . 646 H H . 27795 1 253 . 1 . 1 75 75 HIS CA C 13 54.672 0.035 . . . . . . . 646 H CA . 27795 1 254 . 1 . 1 75 75 HIS CB C 13 28.802 0.000 . . . . . . . 646 H CB . 27795 1 255 . 1 . 1 75 75 HIS N N 15 124.367 0.069 . . . . . . . 646 H N . 27795 1 256 . 1 . 1 76 76 VAL CA C 13 61.447 0.081 . . . . . . . 647 V CA . 27795 1 257 . 1 . 1 76 76 VAL CB C 13 34.304 0.086 . . . . . . . 647 V CB . 27795 1 258 . 1 . 1 77 77 LEU H H 1 8.764 0.018 . . . . . . . 648 L H . 27795 1 259 . 1 . 1 77 77 LEU CA C 13 53.107 0.527 . . . . . . . 648 L CA . 27795 1 260 . 1 . 1 77 77 LEU CB C 13 44.709 0.146 . . . . . . . 648 L CB . 27795 1 261 . 1 . 1 77 77 LEU N N 15 125.880 0.015 . . . . . . . 648 L N . 27795 1 262 . 1 . 1 78 78 CYS H H 1 8.747 0.009 . . . . . . . 649 C H . 27795 1 263 . 1 . 1 78 78 CYS CA C 13 57.418 0.084 . . . . . . . 649 C CA . 27795 1 264 . 1 . 1 78 78 CYS CB C 13 28.215 0.109 . . . . . . . 649 C CB . 27795 1 265 . 1 . 1 78 78 CYS N N 15 119.260 0.055 . . . . . . . 649 C N . 27795 1 266 . 1 . 1 79 79 ASN H H 1 9.579 0.007 . . . . . . . 650 N H . 27795 1 267 . 1 . 1 79 79 ASN CA C 13 54.851 0.081 . . . . . . . 650 N CA . 27795 1 268 . 1 . 1 79 79 ASN CB C 13 37.002 0.033 . . . . . . . 650 N CB . 27795 1 269 . 1 . 1 79 79 ASN N N 15 128.846 0.056 . . . . . . . 650 N N . 27795 1 270 . 1 . 1 80 80 SER H H 1 9.024 0.005 . . . . . . . 651 S H . 27795 1 271 . 1 . 1 80 80 SER CA C 13 60.241 0.784 . . . . . . . 651 S CA . 27795 1 272 . 1 . 1 80 80 SER CB C 13 61.865 0.050 . . . . . . . 651 S CB . 27795 1 273 . 1 . 1 80 80 SER N N 15 105.368 0.059 . . . . . . . 651 S N . 27795 1 274 . 1 . 1 81 81 GLU H H 1 7.453 0.008 . . . . . . . 652 E H . 27795 1 275 . 1 . 1 81 81 GLU CA C 13 54.309 0.010 . . . . . . . 652 E CA . 27795 1 276 . 1 . 1 81 81 GLU CB C 13 32.678 0.000 . . . . . . . 652 E CB . 27795 1 277 . 1 . 1 81 81 GLU N N 15 119.835 0.085 . . . . . . . 652 E N . 27795 1 278 . 1 . 1 88 88 PHE CA C 13 56.263 0.095 . . . . . . . 659 F CA . 27795 1 279 . 1 . 1 88 88 PHE CB C 13 41.614 0.006 . . . . . . . 659 F CB . 27795 1 280 . 1 . 1 89 89 MET H H 1 8.996 0.008 . . . . . . . 660 M H . 27795 1 281 . 1 . 1 89 89 MET CA C 13 52.847 0.085 . . . . . . . 660 M CA . 27795 1 282 . 1 . 1 89 89 MET CB C 13 29.434 0.098 . . . . . . . 660 M CB . 27795 1 283 . 1 . 1 89 89 MET N N 15 119.440 0.012 . . . . . . . 660 M N . 27795 1 284 . 1 . 1 90 90 ALA H H 1 9.309 0.006 . . . . . . . 661 A H . 27795 1 285 . 1 . 1 90 90 ALA CA C 13 50.768 0.036 . . . . . . . 661 A CA . 27795 1 286 . 1 . 1 90 90 ALA CB C 13 21.450 0.036 . . . . . . . 661 A CB . 27795 1 287 . 1 . 1 90 90 ALA N N 15 130.517 0.081 . . . . . . . 661 A N . 27795 1 288 . 1 . 1 91 91 ASP H H 1 7.504 0.008 . . . . . . . 662 D H . 27795 1 289 . 1 . 1 91 91 ASP CA C 13 53.409 0.116 . . . . . . . 662 D CA . 27795 1 290 . 1 . 1 91 91 ASP N N 15 122.930 0.038 . . . . . . . 662 D N . 27795 1 291 . 1 . 1 93 93 ARG CA C 13 54.167 0.196 . . . . . . . 664 R CA . 27795 1 292 . 1 . 1 93 93 ARG CB C 13 33.434 0.030 . . . . . . . 664 R CB . 27795 1 293 . 1 . 1 94 94 ASP H H 1 8.430 0.005 . . . . . . . 665 D H . 27795 1 294 . 1 . 1 94 94 ASP CA C 13 55.136 0.102 . . . . . . . 665 D CA . 27795 1 295 . 1 . 1 94 94 ASP CB C 13 41.676 0.093 . . . . . . . 665 D CB . 27795 1 296 . 1 . 1 94 94 ASP N N 15 119.435 0.044 . . . . . . . 665 D N . 27795 1 297 . 1 . 1 95 95 ALA H H 1 8.664 0.008 . . . . . . . 666 A H . 27795 1 298 . 1 . 1 95 95 ALA CA C 13 50.528 0.037 . . . . . . . 666 A CA . 27795 1 299 . 1 . 1 95 95 ALA CB C 13 18.801 0.000 . . . . . . . 666 A CB . 27795 1 300 . 1 . 1 95 95 ALA N N 15 124.344 0.043 . . . . . . . 666 A N . 27795 1 301 . 1 . 1 96 96 PRO CA C 13 61.877 0.087 . . . . . . . 667 P CA . 27795 1 302 . 1 . 1 96 96 PRO CB C 13 32.252 0.034 . . . . . . . 667 P CB . 27795 1 303 . 1 . 1 97 97 GLN H H 1 8.443 0.007 . . . . . . . 668 Q H . 27795 1 304 . 1 . 1 97 97 GLN CA C 13 57.247 0.058 . . . . . . . 668 Q CA . 27795 1 305 . 1 . 1 97 97 GLN CB C 13 29.119 0.029 . . . . . . . 668 Q CB . 27795 1 306 . 1 . 1 97 97 GLN N N 15 118.520 0.060 . . . . . . . 668 Q N . 27795 1 307 . 1 . 1 98 98 ASP H H 1 8.548 0.005 . . . . . . . 669 D H . 27795 1 308 . 1 . 1 98 98 ASP CA C 13 54.013 0.044 . . . . . . . 669 D CA . 27795 1 309 . 1 . 1 98 98 ASP CB C 13 39.723 0.035 . . . . . . . 669 D CB . 27795 1 310 . 1 . 1 98 98 ASP N N 15 118.116 0.059 . . . . . . . 669 D N . 27795 1 311 . 1 . 1 99 99 PHE H H 1 7.323 0.007 . . . . . . . 670 F H . 27795 1 312 . 1 . 1 99 99 PHE CA C 13 57.098 0.069 . . . . . . . 670 F CA . 27795 1 313 . 1 . 1 99 99 PHE CB C 13 40.931 0.055 . . . . . . . 670 F CB . 27795 1 314 . 1 . 1 99 99 PHE N N 15 119.900 0.048 . . . . . . . 670 F N . 27795 1 315 . 1 . 1 100 100 HIS H H 1 7.846 0.008 . . . . . . . 671 H H . 27795 1 316 . 1 . 1 100 100 HIS CA C 13 52.431 0.043 . . . . . . . 671 H CA . 27795 1 317 . 1 . 1 100 100 HIS CB C 13 29.773 0.000 . . . . . . . 671 H CB . 27795 1 318 . 1 . 1 100 100 HIS N N 15 122.319 0.049 . . . . . . . 671 H N . 27795 1 319 . 1 . 1 101 101 PRO CA C 13 65.365 0.063 . . . . . . . 672 P CA . 27795 1 320 . 1 . 1 101 101 PRO CB C 13 30.548 0.029 . . . . . . . 672 P CB . 27795 1 321 . 1 . 1 102 102 ASP H H 1 8.633 0.007 . . . . . . . 673 D H . 27795 1 322 . 1 . 1 102 102 ASP CA C 13 54.466 0.113 . . . . . . . 673 D CA . 27795 1 323 . 1 . 1 102 102 ASP CB C 13 39.632 0.384 . . . . . . . 673 D CB . 27795 1 324 . 1 . 1 102 102 ASP N N 15 111.202 0.035 . . . . . . . 673 D N . 27795 1 325 . 1 . 1 103 103 ARG H H 1 7.479 0.008 . . . . . . . 674 R H . 27795 1 326 . 1 . 1 103 103 ARG CA C 13 54.833 0.123 . . . . . . . 674 R CA . 27795 1 327 . 1 . 1 103 103 ARG CB C 13 30.186 0.099 . . . . . . . 674 R CB . 27795 1 328 . 1 . 1 103 103 ARG N N 15 117.075 0.084 . . . . . . . 674 R N . 27795 1 329 . 1 . 1 104 104 VAL H H 1 7.108 0.007 . . . . . . . 675 V H . 27795 1 330 . 1 . 1 104 104 VAL CA C 13 62.810 0.048 . . . . . . . 675 V CA . 27795 1 331 . 1 . 1 104 104 VAL CB C 13 30.988 0.033 . . . . . . . 675 V CB . 27795 1 332 . 1 . 1 104 104 VAL CG1 C 13 21.809 0.000 . . . . . . . 675 V CG1 . 27795 1 333 . 1 . 1 104 104 VAL CG2 C 13 19.724 0.000 . . . . . . . 675 V CG2 . 27795 1 334 . 1 . 1 104 104 VAL N N 15 124.186 0.063 . . . . . . . 675 V N . 27795 1 335 . 1 . 1 105 105 LYS H H 1 8.071 0.010 . . . . . . . 676 K H . 27795 1 336 . 1 . 1 105 105 LYS CA C 13 54.287 0.068 . . . . . . . 676 K CA . 27795 1 337 . 1 . 1 105 105 LYS CB C 13 36.191 0.075 . . . . . . . 676 K CB . 27795 1 338 . 1 . 1 105 105 LYS N N 15 124.738 0.152 . . . . . . . 676 K N . 27795 1 339 . 1 . 1 106 106 ALA H H 1 8.676 0.009 . . . . . . . 677 A H . 27795 1 340 . 1 . 1 106 106 ALA CA C 13 50.192 0.048 . . . . . . . 677 A CA . 27795 1 341 . 1 . 1 106 106 ALA CB C 13 22.496 0.052 . . . . . . . 677 A CB . 27795 1 342 . 1 . 1 106 106 ALA N N 15 126.428 0.057 . . . . . . . 677 A N . 27795 1 343 . 1 . 1 107 107 ARG H H 1 8.613 0.007 . . . . . . . 678 R H . 27795 1 344 . 1 . 1 107 107 ARG CA C 13 55.136 0.100 . . . . . . . 678 R CA . 27795 1 345 . 1 . 1 107 107 ARG CB C 13 33.713 0.109 . . . . . . . 678 R CB . 27795 1 346 . 1 . 1 107 107 ARG N N 15 117.996 0.056 . . . . . . . 678 R N . 27795 1 347 . 1 . 1 108 108 GLY H H 1 8.617 0.007 . . . . . . . 679 G H . 27795 1 348 . 1 . 1 108 108 GLY CA C 13 45.318 0.079 . . . . . . . 679 G CA . 27795 1 349 . 1 . 1 108 108 GLY N N 15 111.527 0.052 . . . . . . . 679 G N . 27795 1 350 . 1 . 1 109 109 PRO CA C 13 65.191 0.117 . . . . . . . 680 P CA . 27795 1 351 . 1 . 1 109 109 PRO CB C 13 31.758 0.228 . . . . . . . 680 P CB . 27795 1 352 . 1 . 1 110 110 GLY H H 1 9.180 0.011 . . . . . . . 681 G H . 27795 1 353 . 1 . 1 110 110 GLY CA C 13 46.246 0.104 . . . . . . . 681 G CA . 27795 1 354 . 1 . 1 110 110 GLY N N 15 101.899 0.047 . . . . . . . 681 G N . 27795 1 355 . 1 . 1 111 111 LEU H H 1 7.408 0.011 . . . . . . . 682 L H . 27795 1 356 . 1 . 1 111 111 LEU CA C 13 52.887 0.067 . . . . . . . 682 L CA . 27795 1 357 . 1 . 1 111 111 LEU CB C 13 41.185 0.108 . . . . . . . 682 L CB . 27795 1 358 . 1 . 1 111 111 LEU N N 15 115.261 0.046 . . . . . . . 682 L N . 27795 1 359 . 1 . 1 112 112 GLU H H 1 7.109 0.008 . . . . . . . 683 E H . 27795 1 360 . 1 . 1 112 112 GLU CA C 13 56.177 0.081 . . . . . . . 683 E CA . 27795 1 361 . 1 . 1 112 112 GLU CB C 13 30.748 0.033 . . . . . . . 683 E CB . 27795 1 362 . 1 . 1 112 112 GLU N N 15 121.670 0.056 . . . . . . . 683 E N . 27795 1 363 . 1 . 1 113 113 LYS H H 1 8.587 0.006 . . . . . . . 684 K H . 27795 1 364 . 1 . 1 113 113 LYS CA C 13 60.110 0.089 . . . . . . . 684 K CA . 27795 1 365 . 1 . 1 113 113 LYS CB C 13 33.237 0.093 . . . . . . . 684 K CB . 27795 1 366 . 1 . 1 113 113 LYS N N 15 119.262 0.046 . . . . . . . 684 K N . 27795 1 367 . 1 . 1 114 114 THR H H 1 7.607 0.008 . . . . . . . 685 T H . 27795 1 368 . 1 . 1 114 114 THR CA C 13 60.840 0.109 . . . . . . . 685 T CA . 27795 1 369 . 1 . 1 114 114 THR CB C 13 71.385 0.024 . . . . . . . 685 T CB . 27795 1 370 . 1 . 1 114 114 THR N N 15 106.801 0.076 . . . . . . . 685 T N . 27795 1 371 . 1 . 1 115 115 GLY H H 1 8.415 0.006 . . . . . . . 686 G H . 27795 1 372 . 1 . 1 115 115 GLY CA C 13 45.393 0.143 . . . . . . . 686 G CA . 27795 1 373 . 1 . 1 115 115 GLY N N 15 109.294 0.039 . . . . . . . 686 G N . 27795 1 374 . 1 . 1 116 116 VAL H H 1 8.674 0.007 . . . . . . . 687 V H . 27795 1 375 . 1 . 1 116 116 VAL CA C 13 64.166 0.090 . . . . . . . 687 V CA . 27795 1 376 . 1 . 1 116 116 VAL CB C 13 31.398 0.047 . . . . . . . 687 V CB . 27795 1 377 . 1 . 1 116 116 VAL N N 15 125.199 0.045 . . . . . . . 687 V N . 27795 1 378 . 1 . 1 117 117 ALA H H 1 8.220 0.007 . . . . . . . 688 A H . 27795 1 379 . 1 . 1 117 117 ALA CA C 13 50.485 0.111 . . . . . . . 688 A CA . 27795 1 380 . 1 . 1 117 117 ALA CB C 13 22.321 0.047 . . . . . . . 688 A CB . 27795 1 381 . 1 . 1 117 117 ALA N N 15 130.622 0.058 . . . . . . . 688 A N . 27795 1 382 . 1 . 1 118 118 VAL H H 1 7.744 0.008 . . . . . . . 689 V H . 27795 1 383 . 1 . 1 118 118 VAL CA C 13 62.566 0.183 . . . . . . . 689 V CA . 27795 1 384 . 1 . 1 118 118 VAL CB C 13 32.434 0.077 . . . . . . . 689 V CB . 27795 1 385 . 1 . 1 118 118 VAL N N 15 115.110 0.054 . . . . . . . 689 V N . 27795 1 386 . 1 . 1 119 119 ASN H H 1 8.860 0.008 . . . . . . . 690 N H . 27795 1 387 . 1 . 1 119 119 ASN CA C 13 55.243 0.100 . . . . . . . 690 N CA . 27795 1 388 . 1 . 1 119 119 ASN CB C 13 36.864 0.062 . . . . . . . 690 N CB . 27795 1 389 . 1 . 1 119 119 ASN N N 15 113.358 0.058 . . . . . . . 690 N N . 27795 1 390 . 1 . 1 120 120 LYS H H 1 7.407 0.008 . . . . . . . 691 K H . 27795 1 391 . 1 . 1 120 120 LYS CA C 13 52.817 0.037 . . . . . . . 691 K CA . 27795 1 392 . 1 . 1 120 120 LYS CB C 13 34.055 0.000 . . . . . . . 691 K CB . 27795 1 393 . 1 . 1 120 120 LYS N N 15 119.100 0.047 . . . . . . . 691 K N . 27795 1 394 . 1 . 1 121 121 PRO CA C 13 63.888 0.022 . . . . . . . 692 P CA . 27795 1 395 . 1 . 1 121 121 PRO CB C 13 31.366 0.050 . . . . . . . 692 P CB . 27795 1 396 . 1 . 1 122 122 ALA H H 1 9.241 0.009 . . . . . . . 693 A H . 27795 1 397 . 1 . 1 122 122 ALA CA C 13 50.680 0.158 . . . . . . . 693 A CA . 27795 1 398 . 1 . 1 122 122 ALA CB C 13 18.430 0.090 . . . . . . . 693 A CB . 27795 1 399 . 1 . 1 122 122 ALA N N 15 132.760 0.054 . . . . . . . 693 A N . 27795 1 400 . 1 . 1 123 123 GLU H H 1 8.020 0.014 . . . . . . . 694 E H . 27795 1 401 . 1 . 1 123 123 GLU CA C 13 55.487 0.098 . . . . . . . 694 E CA . 27795 1 402 . 1 . 1 123 123 GLU CB C 13 32.353 0.929 . . . . . . . 694 E CB . 27795 1 403 . 1 . 1 123 123 GLU N N 15 120.279 0.030 . . . . . . . 694 E N . 27795 1 404 . 1 . 1 124 124 PHE H H 1 8.675 0.013 . . . . . . . 695 F H . 27795 1 405 . 1 . 1 124 124 PHE CA C 13 57.159 0.085 . . . . . . . 695 F CA . 27795 1 406 . 1 . 1 124 124 PHE CB C 13 39.660 0.078 . . . . . . . 695 F CB . 27795 1 407 . 1 . 1 124 124 PHE N N 15 114.591 0.066 . . . . . . . 695 F N . 27795 1 408 . 1 . 1 125 125 THR H H 1 9.170 0.008 . . . . . . . 696 T H . 27795 1 409 . 1 . 1 125 125 THR CA C 13 60.764 0.167 . . . . . . . 696 T CA . 27795 1 410 . 1 . 1 125 125 THR CB C 13 72.026 0.078 . . . . . . . 696 T CB . 27795 1 411 . 1 . 1 125 125 THR N N 15 115.779 0.053 . . . . . . . 696 T N . 27795 1 412 . 1 . 1 126 126 VAL H H 1 9.162 0.011 . . . . . . . 697 V H . 27795 1 413 . 1 . 1 126 126 VAL CA C 13 61.603 0.125 . . . . . . . 697 V CA . 27795 1 414 . 1 . 1 126 126 VAL CB C 13 33.667 0.091 . . . . . . . 697 V CB . 27795 1 415 . 1 . 1 126 126 VAL N N 15 124.479 0.094 . . . . . . . 697 V N . 27795 1 416 . 1 . 1 127 127 ASP H H 1 9.366 0.007 . . . . . . . 698 D H . 27795 1 417 . 1 . 1 127 127 ASP CA C 13 53.282 0.117 . . . . . . . 698 D CA . 27795 1 418 . 1 . 1 127 127 ASP CB C 13 41.385 0.000 . . . . . . . 698 D CB . 27795 1 419 . 1 . 1 127 127 ASP N N 15 128.271 0.054 . . . . . . . 698 D N . 27795 1 420 . 1 . 1 128 128 ALA H H 1 8.740 0.012 . . . . . . . 699 A H . 27795 1 421 . 1 . 1 128 128 ALA CA C 13 50.194 0.156 . . . . . . . 699 A CA . 27795 1 422 . 1 . 1 128 128 ALA CB C 13 20.783 0.134 . . . . . . . 699 A CB . 27795 1 423 . 1 . 1 128 128 ALA N N 15 128.999 0.058 . . . . . . . 699 A N . 27795 1 424 . 1 . 1 129 129 LYS H H 1 8.369 0.005 . . . . . . . 700 K H . 27795 1 425 . 1 . 1 129 129 LYS CA C 13 60.684 0.055 . . . . . . . 700 K CA . 27795 1 426 . 1 . 1 129 129 LYS CB C 13 32.516 0.000 . . . . . . . 700 K CB . 27795 1 427 . 1 . 1 129 129 LYS N N 15 124.394 0.044 . . . . . . . 700 K N . 27795 1 428 . 1 . 1 130 130 HIS CA C 13 54.869 0.099 . . . . . . . 701 H CA . 27795 1 429 . 1 . 1 130 130 HIS CB C 13 30.259 0.092 . . . . . . . 701 H CB . 27795 1 430 . 1 . 1 131 131 GLY H H 1 7.809 0.010 . . . . . . . 702 G H . 27795 1 431 . 1 . 1 131 131 GLY CA C 13 46.316 0.041 . . . . . . . 702 G CA . 27795 1 432 . 1 . 1 131 131 GLY N N 15 104.688 0.054 . . . . . . . 702 G N . 27795 1 433 . 1 . 1 132 132 GLY H H 1 9.072 0.006 . . . . . . . 703 G H . 27795 1 434 . 1 . 1 132 132 GLY CA C 13 44.646 0.055 . . . . . . . 703 G CA . 27795 1 435 . 1 . 1 132 132 GLY N N 15 115.026 0.021 . . . . . . . 703 G N . 27795 1 436 . 1 . 1 133 133 LYS H H 1 8.659 0.006 . . . . . . . 704 K H . 27795 1 437 . 1 . 1 133 133 LYS CA C 13 55.887 0.065 . . . . . . . 704 K CA . 27795 1 438 . 1 . 1 133 133 LYS CB C 13 33.322 0.094 . . . . . . . 704 K CB . 27795 1 439 . 1 . 1 133 133 LYS N N 15 123.272 0.063 . . . . . . . 704 K N . 27795 1 440 . 1 . 1 134 134 ALA H H 1 7.086 0.006 . . . . . . . 705 A H . 27795 1 441 . 1 . 1 134 134 ALA CA C 13 50.007 0.081 . . . . . . . 705 A CA . 27795 1 442 . 1 . 1 134 134 ALA CB C 13 18.931 0.000 . . . . . . . 705 A CB . 27795 1 443 . 1 . 1 134 134 ALA N N 15 126.216 0.048 . . . . . . . 705 A N . 27795 1 444 . 1 . 1 135 135 PRO CA C 13 61.813 0.143 . . . . . . . 706 P CA . 27795 1 445 . 1 . 1 135 135 PRO CB C 13 32.221 0.155 . . . . . . . 706 P CB . 27795 1 446 . 1 . 1 136 136 LEU H H 1 8.360 0.008 . . . . . . . 707 L H . 27795 1 447 . 1 . 1 136 136 LEU CA C 13 53.786 0.082 . . . . . . . 707 L CA . 27795 1 448 . 1 . 1 136 136 LEU CB C 13 43.660 0.023 . . . . . . . 707 L CB . 27795 1 449 . 1 . 1 136 136 LEU N N 15 127.079 0.093 . . . . . . . 707 L N . 27795 1 450 . 1 . 1 137 137 ARG H H 1 8.904 0.006 . . . . . . . 708 R H . 27795 1 451 . 1 . 1 137 137 ARG CA C 13 55.549 0.064 . . . . . . . 708 R CA . 27795 1 452 . 1 . 1 137 137 ARG CB C 13 33.565 0.136 . . . . . . . 708 R CB . 27795 1 453 . 1 . 1 137 137 ARG N N 15 127.441 0.060 . . . . . . . 708 R N . 27795 1 454 . 1 . 1 138 138 VAL H H 1 8.895 0.008 . . . . . . . 709 V H . 27795 1 455 . 1 . 1 138 138 VAL CA C 13 61.396 0.096 . . . . . . . 709 V CA . 27795 1 456 . 1 . 1 138 138 VAL CB C 13 33.940 0.106 . . . . . . . 709 V CB . 27795 1 457 . 1 . 1 138 138 VAL N N 15 125.950 0.065 . . . . . . . 709 V N . 27795 1 458 . 1 . 1 139 139 GLN H H 1 8.974 0.007 . . . . . . . 710 Q H . 27795 1 459 . 1 . 1 139 139 GLN CA C 13 54.534 0.124 . . . . . . . 710 Q CA . 27795 1 460 . 1 . 1 139 139 GLN CB C 13 32.925 0.109 . . . . . . . 710 Q CB . 27795 1 461 . 1 . 1 139 139 GLN N N 15 127.506 0.039 . . . . . . . 710 Q N . 27795 1 462 . 1 . 1 140 140 VAL H H 1 9.253 0.008 . . . . . . . 711 V H . 27795 1 463 . 1 . 1 140 140 VAL CA C 13 60.670 0.210 . . . . . . . 711 V CA . 27795 1 464 . 1 . 1 140 140 VAL CB C 13 32.693 0.088 . . . . . . . 711 V CB . 27795 1 465 . 1 . 1 140 140 VAL N N 15 126.564 0.060 . . . . . . . 711 V N . 27795 1 466 . 1 . 1 141 141 GLN H H 1 8.481 0.010 . . . . . . . 712 Q H . 27795 1 467 . 1 . 1 141 141 GLN CA C 13 53.836 0.047 . . . . . . . 712 Q CA . 27795 1 468 . 1 . 1 141 141 GLN CB C 13 33.083 0.403 . . . . . . . 712 Q CB . 27795 1 469 . 1 . 1 141 141 GLN N N 15 123.142 0.073 . . . . . . . 712 Q N . 27795 1 470 . 1 . 1 142 142 ASP H H 1 7.982 0.007 . . . . . . . 713 D H . 27795 1 471 . 1 . 1 142 142 ASP CA C 13 52.742 0.083 . . . . . . . 713 D CA . 27795 1 472 . 1 . 1 142 142 ASP CB C 13 40.624 0.190 . . . . . . . 713 D CB . 27795 1 473 . 1 . 1 142 142 ASP N N 15 120.242 0.067 . . . . . . . 713 D N . 27795 1 474 . 1 . 1 143 143 ASN H H 1 6.899 0.006 . . . . . . . 714 N H . 27795 1 475 . 1 . 1 143 143 ASN CA C 13 54.749 0.136 . . . . . . . 714 N CA . 27795 1 476 . 1 . 1 143 143 ASN CB C 13 37.943 0.000 . . . . . . . 714 N CB . 27795 1 477 . 1 . 1 143 143 ASN N N 15 115.888 0.034 . . . . . . . 714 N N . 27795 1 478 . 1 . 1 144 144 GLU CA C 13 55.185 0.159 . . . . . . . 715 E CA . 27795 1 479 . 1 . 1 144 144 GLU CB C 13 30.458 0.048 . . . . . . . 715 E CB . 27795 1 480 . 1 . 1 145 145 GLY H H 1 7.749 0.005 . . . . . . . 716 G H . 27795 1 481 . 1 . 1 145 145 GLY CA C 13 44.921 0.021 . . . . . . . 716 G CA . 27795 1 482 . 1 . 1 145 145 GLY N N 15 107.732 0.058 . . . . . . . 716 G N . 27795 1 483 . 1 . 1 146 146 CYS H H 1 8.276 0.007 . . . . . . . 717 C H . 27795 1 484 . 1 . 1 146 146 CYS CA C 13 56.660 0.076 . . . . . . . 717 C CA . 27795 1 485 . 1 . 1 146 146 CYS CB C 13 26.850 0.000 . . . . . . . 717 C CB . 27795 1 486 . 1 . 1 146 146 CYS N N 15 122.097 0.064 . . . . . . . 717 C N . 27795 1 487 . 1 . 1 147 147 PRO CA C 13 62.687 0.082 . . . . . . . 718 P CA . 27795 1 488 . 1 . 1 147 147 PRO CB C 13 32.598 0.037 . . . . . . . 718 P CB . 27795 1 489 . 1 . 1 148 148 VAL H H 1 8.241 0.007 . . . . . . . 719 V H . 27795 1 490 . 1 . 1 148 148 VAL CA C 13 61.179 0.061 . . . . . . . 719 V CA . 27795 1 491 . 1 . 1 148 148 VAL CB C 13 33.885 0.192 . . . . . . . 719 V CB . 27795 1 492 . 1 . 1 148 148 VAL N N 15 125.451 0.036 . . . . . . . 719 V N . 27795 1 493 . 1 . 1 149 149 GLU H H 1 8.701 0.005 . . . . . . . 720 E H . 27795 1 494 . 1 . 1 149 149 GLU CA C 13 58.217 0.059 . . . . . . . 720 E CA . 27795 1 495 . 1 . 1 149 149 GLU CB C 13 30.200 0.081 . . . . . . . 720 E CB . 27795 1 496 . 1 . 1 149 149 GLU N N 15 127.365 0.050 . . . . . . . 720 E N . 27795 1 497 . 1 . 1 150 150 ALA H H 1 8.448 0.005 . . . . . . . 721 A H . 27795 1 498 . 1 . 1 150 150 ALA CA C 13 49.830 0.089 . . . . . . . 721 A CA . 27795 1 499 . 1 . 1 150 150 ALA CB C 13 20.290 0.045 . . . . . . . 721 A CB . 27795 1 500 . 1 . 1 150 150 ALA N N 15 126.595 0.050 . . . . . . . 721 A N . 27795 1 501 . 1 . 1 151 151 LEU H H 1 9.244 0.012 . . . . . . . 722 L H . 27795 1 502 . 1 . 1 151 151 LEU CA C 13 54.389 0.058 . . . . . . . 722 L CA . 27795 1 503 . 1 . 1 151 151 LEU CB C 13 42.945 0.065 . . . . . . . 722 L CB . 27795 1 504 . 1 . 1 151 151 LEU N N 15 126.498 0.101 . . . . . . . 722 L N . 27795 1 505 . 1 . 1 152 152 VAL H H 1 8.488 0.006 . . . . . . . 723 V H . 27795 1 506 . 1 . 1 152 152 VAL CA C 13 61.922 0.079 . . . . . . . 723 V CA . 27795 1 507 . 1 . 1 152 152 VAL CB C 13 34.633 0.031 . . . . . . . 723 V CB . 27795 1 508 . 1 . 1 152 152 VAL N N 15 124.447 0.047 . . . . . . . 723 V N . 27795 1 509 . 1 . 1 153 153 LYS H H 1 8.917 0.006 . . . . . . . 724 K H . 27795 1 510 . 1 . 1 153 153 LYS CA C 13 54.674 0.073 . . . . . . . 724 K CA . 27795 1 511 . 1 . 1 153 153 LYS CB C 13 34.647 0.067 . . . . . . . 724 K CB . 27795 1 512 . 1 . 1 153 153 LYS N N 15 129.074 0.040 . . . . . . . 724 K N . 27795 1 513 . 1 . 1 154 154 ASP H H 1 8.794 0.002 . . . . . . . 725 D H . 27795 1 514 . 1 . 1 154 154 ASP CA C 13 56.238 0.068 . . . . . . . 725 D CA . 27795 1 515 . 1 . 1 154 154 ASP CB C 13 41.118 0.063 . . . . . . . 725 D CB . 27795 1 516 . 1 . 1 154 154 ASP N N 15 125.559 0.000 . . . . . . . 725 D N . 27795 1 517 . 1 . 1 155 155 ASN H H 1 8.283 0.007 . . . . . . . 726 N H . 27795 1 518 . 1 . 1 155 155 ASN CA C 13 54.484 0.104 . . . . . . . 726 N CA . 27795 1 519 . 1 . 1 155 155 ASN CB C 13 38.127 0.052 . . . . . . . 726 N CB . 27795 1 520 . 1 . 1 155 155 ASN N N 15 125.146 0.097 . . . . . . . 726 N N . 27795 1 521 . 1 . 1 156 156 GLY H H 1 9.266 0.007 . . . . . . . 727 G H . 27795 1 522 . 1 . 1 156 156 GLY CA C 13 46.000 0.056 . . . . . . . 727 G CA . 27795 1 523 . 1 . 1 156 156 GLY N N 15 109.828 0.054 . . . . . . . 727 G N . 27795 1 524 . 1 . 1 157 157 ASN H H 1 7.467 0.009 . . . . . . . 728 N H . 27795 1 525 . 1 . 1 157 157 ASN CA C 13 51.250 0.041 . . . . . . . 728 N CA . 27795 1 526 . 1 . 1 157 157 ASN CB C 13 38.466 0.050 . . . . . . . 728 N CB . 27795 1 527 . 1 . 1 157 157 ASN N N 15 116.530 0.075 . . . . . . . 728 N N . 27795 1 528 . 1 . 1 158 158 GLY H H 1 8.962 0.007 . . . . . . . 729 G H . 27795 1 529 . 1 . 1 158 158 GLY CA C 13 45.361 0.108 . . . . . . . 729 G CA . 27795 1 530 . 1 . 1 158 158 GLY N N 15 109.491 0.061 . . . . . . . 729 G N . 27795 1 531 . 1 . 1 159 159 THR H H 1 7.349 0.040 . . . . . . . 730 T H . 27795 1 532 . 1 . 1 159 159 THR CA C 13 59.359 0.092 . . . . . . . 730 T CA . 27795 1 533 . 1 . 1 159 159 THR CB C 13 73.079 0.096 . . . . . . . 730 T CB . 27795 1 534 . 1 . 1 159 159 THR N N 15 106.550 0.196 . . . . . . . 730 T N . 27795 1 535 . 1 . 1 160 160 TYR H H 1 9.054 0.005 . . . . . . . 731 Y H . 27795 1 536 . 1 . 1 160 160 TYR CA C 13 56.456 0.101 . . . . . . . 731 Y CA . 27795 1 537 . 1 . 1 160 160 TYR CB C 13 41.601 0.040 . . . . . . . 731 Y CB . 27795 1 538 . 1 . 1 160 160 TYR N N 15 118.080 0.037 . . . . . . . 731 Y N . 27795 1 539 . 1 . 1 161 161 SER H H 1 9.237 0.008 . . . . . . . 732 S H . 27795 1 540 . 1 . 1 161 161 SER CA C 13 58.522 0.219 . . . . . . . 732 S CA . 27795 1 541 . 1 . 1 161 161 SER CB C 13 64.444 0.341 . . . . . . . 732 S CB . 27795 1 542 . 1 . 1 161 161 SER N N 15 121.740 0.066 . . . . . . . 732 S N . 27795 1 543 . 1 . 1 162 162 CYS H H 1 8.840 0.004 . . . . . . . 733 C H . 27795 1 544 . 1 . 1 162 162 CYS CA C 13 56.922 0.075 . . . . . . . 733 C CA . 27795 1 545 . 1 . 1 162 162 CYS CB C 13 33.878 0.109 . . . . . . . 733 C CB . 27795 1 546 . 1 . 1 162 162 CYS N N 15 124.223 0.000 . . . . . . . 733 C N . 27795 1 547 . 1 . 1 163 163 SER H H 1 7.460 0.009 . . . . . . . 734 S H . 27795 1 548 . 1 . 1 163 163 SER CA C 13 60.906 0.013 . . . . . . . 734 S CA . 27795 1 549 . 1 . 1 163 163 SER CB C 13 66.508 0.651 . . . . . . . 734 S CB . 27795 1 550 . 1 . 1 163 163 SER N N 15 116.454 0.039 . . . . . . . 734 S N . 27795 1 551 . 1 . 1 164 164 TYR H H 1 8.257 0.000 . . . . . . . 735 Y H . 27795 1 552 . 1 . 1 164 164 TYR N N 15 116.881 0.000 . . . . . . . 735 Y N . 27795 1 553 . 1 . 1 166 166 PRO CA C 13 62.340 0.059 . . . . . . . 737 P CA . 27795 1 554 . 1 . 1 167 167 ARG H H 1 10.233 0.011 . . . . . . . 738 R H . 27795 1 555 . 1 . 1 167 167 ARG CA C 13 54.950 0.110 . . . . . . . 738 R CA . 27795 1 556 . 1 . 1 167 167 ARG CB C 13 32.752 0.198 . . . . . . . 738 R CB . 27795 1 557 . 1 . 1 167 167 ARG N N 15 120.820 0.049 . . . . . . . 738 R N . 27795 1 558 . 1 . 1 168 168 LYS H H 1 7.979 0.004 . . . . . . . 739 K H . 27795 1 559 . 1 . 1 168 168 LYS N N 15 120.146 0.042 . . . . . . . 739 K N . 27795 1 560 . 1 . 1 169 169 PRO CA C 13 62.034 0.000 . . . . . . . 740 P CA . 27795 1 561 . 1 . 1 169 169 PRO CB C 13 27.460 0.000 . . . . . . . 740 P CB . 27795 1 562 . 1 . 1 169 169 PRO CG C 13 27.594 0.000 . . . . . . . 740 P CG . 27795 1 563 . 1 . 1 170 170 VAL H H 1 8.072 0.013 . . . . . . . 741 V H . 27795 1 564 . 1 . 1 170 170 VAL CA C 13 61.977 0.080 . . . . . . . 741 V CA . 27795 1 565 . 1 . 1 170 170 VAL CB C 13 27.349 0.127 . . . . . . . 741 V CB . 27795 1 566 . 1 . 1 170 170 VAL N N 15 113.779 0.000 . . . . . . . 741 V N . 27795 1 567 . 1 . 1 171 171 LYS H H 1 8.078 0.008 . . . . . . . 742 K H . 27795 1 568 . 1 . 1 171 171 LYS CA C 13 58.062 0.058 . . . . . . . 742 K CA . 27795 1 569 . 1 . 1 171 171 LYS CB C 13 32.010 0.125 . . . . . . . 742 K CB . 27795 1 570 . 1 . 1 171 171 LYS N N 15 113.885 0.067 . . . . . . . 742 K N . 27795 1 571 . 1 . 1 172 172 HIS H H 1 9.637 0.006 . . . . . . . 743 H H . 27795 1 572 . 1 . 1 172 172 HIS CA C 13 54.859 0.097 . . . . . . . 743 H CA . 27795 1 573 . 1 . 1 172 172 HIS CB C 13 31.749 0.150 . . . . . . . 743 H CB . 27795 1 574 . 1 . 1 172 172 HIS N N 15 124.803 0.061 . . . . . . . 743 H N . 27795 1 575 . 1 . 1 173 173 THR H H 1 8.783 0.007 . . . . . . . 744 T H . 27795 1 576 . 1 . 1 173 173 THR CA C 13 61.854 0.118 . . . . . . . 744 T CA . 27795 1 577 . 1 . 1 173 173 THR CB C 13 70.275 0.005 . . . . . . . 744 T CB . 27795 1 578 . 1 . 1 173 173 THR N N 15 117.625 0.051 . . . . . . . 744 T N . 27795 1 579 . 1 . 1 174 174 ALA H H 1 9.601 0.008 . . . . . . . 745 A H . 27795 1 580 . 1 . 1 174 174 ALA CA C 13 49.707 0.130 . . . . . . . 745 A CA . 27795 1 581 . 1 . 1 174 174 ALA CB C 13 20.201 0.082 . . . . . . . 745 A CB . 27795 1 582 . 1 . 1 174 174 ALA N N 15 129.021 0.049 . . . . . . . 745 A N . 27795 1 583 . 1 . 1 175 175 MET H H 1 9.660 0.010 . . . . . . . 746 M H . 27795 1 584 . 1 . 1 175 175 MET CA C 13 53.993 0.112 . . . . . . . 746 M CA . 27795 1 585 . 1 . 1 175 175 MET CB C 13 33.941 0.000 . . . . . . . 746 M CB . 27795 1 586 . 1 . 1 175 175 MET N N 15 124.570 0.050 . . . . . . . 746 M N . 27795 1 587 . 1 . 1 176 176 VAL H H 1 8.730 0.005 . . . . . . . 747 V H . 27795 1 588 . 1 . 1 176 176 VAL CA C 13 61.246 0.121 . . . . . . . 747 V CA . 27795 1 589 . 1 . 1 176 176 VAL CB C 13 34.061 0.046 . . . . . . . 747 V CB . 27795 1 590 . 1 . 1 176 176 VAL N N 15 128.168 0.022 . . . . . . . 747 V N . 27795 1 591 . 1 . 1 177 177 SER H H 1 9.382 0.009 . . . . . . . 748 S H . 27795 1 592 . 1 . 1 177 177 SER CA C 13 56.039 0.119 . . . . . . . 748 S CA . 27795 1 593 . 1 . 1 177 177 SER CB C 13 66.852 0.019 . . . . . . . 748 S CB . 27795 1 594 . 1 . 1 177 177 SER N N 15 120.048 0.046 . . . . . . . 748 S N . 27795 1 595 . 1 . 1 178 178 TRP H H 1 9.265 0.008 . . . . . . . 749 W H . 27795 1 596 . 1 . 1 178 178 TRP CA C 13 54.408 0.067 . . . . . . . 749 W CA . 27795 1 597 . 1 . 1 178 178 TRP CB C 13 33.046 0.120 . . . . . . . 749 W CB . 27795 1 598 . 1 . 1 178 178 TRP N N 15 124.859 0.053 . . . . . . . 749 W N . 27795 1 599 . 1 . 1 179 179 GLY H H 1 9.050 0.008 . . . . . . . 750 G H . 27795 1 600 . 1 . 1 179 179 GLY CA C 13 47.782 0.050 . . . . . . . 750 G CA . 27795 1 601 . 1 . 1 179 179 GLY N N 15 114.681 0.040 . . . . . . . 750 G N . 27795 1 602 . 1 . 1 180 180 GLY H H 1 8.783 0.006 . . . . . . . 751 G H . 27795 1 603 . 1 . 1 180 180 GLY CA C 13 44.317 0.079 . . . . . . . 751 G CA . 27795 1 604 . 1 . 1 180 180 GLY N N 15 101.660 0.047 . . . . . . . 751 G N . 27795 1 605 . 1 . 1 181 181 VAL H H 1 7.555 0.008 . . . . . . . 752 V H . 27795 1 606 . 1 . 1 181 181 VAL CA C 13 60.845 0.084 . . . . . . . 752 V CA . 27795 1 607 . 1 . 1 181 181 VAL CB C 13 34.199 0.146 . . . . . . . 752 V CB . 27795 1 608 . 1 . 1 181 181 VAL N N 15 120.058 0.036 . . . . . . . 752 V N . 27795 1 609 . 1 . 1 182 182 SER H H 1 9.153 0.009 . . . . . . . 753 S H . 27795 1 610 . 1 . 1 182 182 SER CA C 13 59.478 0.030 . . . . . . . 753 S CA . 27795 1 611 . 1 . 1 182 182 SER CB C 13 63.392 0.000 . . . . . . . 753 S CB . 27795 1 612 . 1 . 1 182 182 SER N N 15 122.837 0.115 . . . . . . . 753 S N . 27795 1 613 . 1 . 1 183 183 ILE H H 1 7.735 0.006 . . . . . . . 754 I H . 27795 1 614 . 1 . 1 183 183 ILE CA C 13 60.855 0.010 . . . . . . . 754 I CA . 27795 1 615 . 1 . 1 183 183 ILE CB C 13 35.432 0.000 . . . . . . . 754 I CB . 27795 1 616 . 1 . 1 183 183 ILE N N 15 120.980 0.020 . . . . . . . 754 I N . 27795 1 617 . 1 . 1 184 184 PRO CA C 13 65.097 0.077 . . . . . . . 755 P CA . 27795 1 618 . 1 . 1 184 184 PRO CB C 13 31.408 0.030 . . . . . . . 755 P CB . 27795 1 619 . 1 . 1 185 185 ASN H H 1 8.383 0.008 . . . . . . . 756 N H . 27795 1 620 . 1 . 1 185 185 ASN CA C 13 55.784 0.073 . . . . . . . 756 N CA . 27795 1 621 . 1 . 1 185 185 ASN CB C 13 37.591 0.095 . . . . . . . 756 N CB . 27795 1 622 . 1 . 1 185 185 ASN N N 15 113.811 0.045 . . . . . . . 756 N N . 27795 1 623 . 1 . 1 186 186 SER H H 1 7.318 0.005 . . . . . . . 757 S H . 27795 1 624 . 1 . 1 186 186 SER CA C 13 54.648 0.085 . . . . . . . 757 S CA . 27795 1 625 . 1 . 1 186 186 SER CB C 13 64.100 0.000 . . . . . . . 757 S CB . 27795 1 626 . 1 . 1 186 186 SER N N 15 112.074 0.051 . . . . . . . 757 S N . 27795 1 627 . 1 . 1 187 187 PRO CA C 13 63.671 0.058 . . . . . . . 758 P CA . 27795 1 628 . 1 . 1 187 187 PRO CB C 13 32.289 0.000 . . . . . . . 758 P CB . 27795 1 629 . 1 . 1 188 188 PHE H H 1 7.859 0.005 . . . . . . . 759 F H . 27795 1 630 . 1 . 1 188 188 PHE CA C 13 59.943 0.060 . . . . . . . 759 F CA . 27795 1 631 . 1 . 1 188 188 PHE CB C 13 41.239 0.119 . . . . . . . 759 F CB . 27795 1 632 . 1 . 1 188 188 PHE N N 15 119.279 0.027 . . . . . . . 759 F N . 27795 1 633 . 1 . 1 189 189 ARG H H 1 8.750 0.006 . . . . . . . 760 R H . 27795 1 634 . 1 . 1 189 189 ARG CA C 13 56.280 0.100 . . . . . . . 760 R CA . 27795 1 635 . 1 . 1 189 189 ARG CB C 13 30.749 0.120 . . . . . . . 760 R CB . 27795 1 636 . 1 . 1 189 189 ARG N N 15 127.774 0.021 . . . . . . . 760 R N . 27795 1 637 . 1 . 1 190 190 VAL H H 1 9.242 0.008 . . . . . . . 761 V H . 27795 1 638 . 1 . 1 190 190 VAL CA C 13 61.575 0.180 . . . . . . . 761 V CA . 27795 1 639 . 1 . 1 190 190 VAL CB C 13 36.109 0.202 . . . . . . . 761 V CB . 27795 1 640 . 1 . 1 190 190 VAL N N 15 126.681 0.038 . . . . . . . 761 V N . 27795 1 641 . 1 . 1 191 191 ASN H H 1 8.410 0.009 . . . . . . . 762 N H . 27795 1 642 . 1 . 1 191 191 ASN CA C 13 53.421 0.139 . . . . . . . 762 N CA . 27795 1 643 . 1 . 1 191 191 ASN CB C 13 38.303 0.092 . . . . . . . 762 N CB . 27795 1 644 . 1 . 1 191 191 ASN N N 15 125.136 0.096 . . . . . . . 762 N N . 27795 1 645 . 1 . 1 192 192 VAL H H 1 7.105 0.008 . . . . . . . 763 V H . 27795 1 646 . 1 . 1 192 192 VAL CA C 13 63.099 0.080 . . . . . . . 763 V CA . 27795 1 647 . 1 . 1 192 192 VAL CB C 13 31.685 0.087 . . . . . . . 763 V CB . 27795 1 648 . 1 . 1 192 192 VAL N N 15 127.033 0.051 . . . . . . . 763 V N . 27795 1 649 . 1 . 1 193 193 GLY H H 1 8.637 0.008 . . . . . . . 764 G H . 27795 1 650 . 1 . 1 193 193 GLY CA C 13 44.045 0.031 . . . . . . . 764 G CA . 27795 1 651 . 1 . 1 193 193 GLY N N 15 113.926 0.047 . . . . . . . 764 G N . 27795 1 652 . 1 . 1 194 194 ALA H H 1 8.423 0.006 . . . . . . . 765 A H . 27795 1 653 . 1 . 1 194 194 ALA CA C 13 52.797 0.036 . . . . . . . 765 A CA . 27795 1 654 . 1 . 1 194 194 ALA CB C 13 28.115 14.169 . . . . . . . 765 A CB . 27795 1 655 . 1 . 1 194 194 ALA N N 15 121.039 0.060 . . . . . . . 765 A N . 27795 1 656 . 1 . 1 195 195 GLY H H 1 8.505 0.006 . . . . . . . 766 G H . 27795 1 657 . 1 . 1 195 195 GLY CA C 13 44.858 0.079 . . . . . . . 766 G CA . 27795 1 658 . 1 . 1 195 195 GLY N N 15 106.856 0.031 . . . . . . . 766 G N . 27795 1 659 . 1 . 1 196 196 SER H H 1 7.736 0.006 . . . . . . . 767 S H . 27795 1 660 . 1 . 1 196 196 SER CA C 13 57.576 0.110 . . . . . . . 767 S CA . 27795 1 661 . 1 . 1 196 196 SER CB C 13 65.327 0.004 . . . . . . . 767 S CB . 27795 1 662 . 1 . 1 196 196 SER N N 15 114.702 0.020 . . . . . . . 767 S N . 27795 1 663 . 1 . 1 197 197 HIS H H 1 9.120 0.006 . . . . . . . 768 H H . 27795 1 664 . 1 . 1 197 197 HIS CA C 13 52.933 0.057 . . . . . . . 768 H CA . 27795 1 665 . 1 . 1 197 197 HIS CB C 13 30.297 0.000 . . . . . . . 768 H CB . 27795 1 666 . 1 . 1 197 197 HIS N N 15 120.910 0.026 . . . . . . . 768 H N . 27795 1 667 . 1 . 1 198 198 PRO CA C 13 65.209 0.070 . . . . . . . 769 P CA . 27795 1 668 . 1 . 1 198 198 PRO CB C 13 31.567 0.024 . . . . . . . 769 P CB . 27795 1 669 . 1 . 1 199 199 ASN H H 1 8.525 0.011 . . . . . . . 770 N H . 27795 1 670 . 1 . 1 199 199 ASN CA C 13 54.470 0.413 . . . . . . . 770 N CA . 27795 1 671 . 1 . 1 199 199 ASN CB C 13 36.508 0.123 . . . . . . . 770 N CB . 27795 1 672 . 1 . 1 199 199 ASN N N 15 109.944 0.069 . . . . . . . 770 N N . 27795 1 673 . 1 . 1 200 200 LYS H H 1 7.886 0.026 . . . . . . . 771 K H . 27795 1 674 . 1 . 1 200 200 LYS CA C 13 54.763 0.064 . . . . . . . 771 K CA . 27795 1 675 . 1 . 1 200 200 LYS CB C 13 32.671 0.035 . . . . . . . 771 K CB . 27795 1 676 . 1 . 1 200 200 LYS N N 15 117.638 0.042 . . . . . . . 771 K N . 27795 1 677 . 1 . 1 201 201 VAL H H 1 7.129 0.018 . . . . . . . 772 V H . 27795 1 678 . 1 . 1 201 201 VAL CA C 13 63.847 0.044 . . . . . . . 772 V CA . 27795 1 679 . 1 . 1 201 201 VAL CB C 13 32.231 0.188 . . . . . . . 772 V CB . 27795 1 680 . 1 . 1 201 201 VAL N N 15 122.939 0.033 . . . . . . . 772 V N . 27795 1 681 . 1 . 1 202 202 LYS H H 1 8.403 0.006 . . . . . . . 773 K H . 27795 1 682 . 1 . 1 202 202 LYS CA C 13 55.154 0.078 . . . . . . . 773 K CA . 27795 1 683 . 1 . 1 202 202 LYS CB C 13 35.598 0.025 . . . . . . . 773 K CB . 27795 1 684 . 1 . 1 202 202 LYS N N 15 128.107 0.028 . . . . . . . 773 K N . 27795 1 685 . 1 . 1 203 203 VAL H H 1 8.433 0.006 . . . . . . . 774 V H . 27795 1 686 . 1 . 1 203 203 VAL CA C 13 61.072 0.039 . . . . . . . 774 V CA . 27795 1 687 . 1 . 1 203 203 VAL CB C 13 33.948 0.046 . . . . . . . 774 V CB . 27795 1 688 . 1 . 1 203 203 VAL N N 15 123.301 0.053 . . . . . . . 774 V N . 27795 1 689 . 1 . 1 204 204 TYR H H 1 8.564 0.004 . . . . . . . 775 Y H . 27795 1 690 . 1 . 1 204 204 TYR CA C 13 56.182 0.097 . . . . . . . 775 Y CA . 27795 1 691 . 1 . 1 204 204 TYR CB C 13 39.394 0.130 . . . . . . . 775 Y CB . 27795 1 692 . 1 . 1 204 204 TYR N N 15 123.257 0.095 . . . . . . . 775 Y N . 27795 1 693 . 1 . 1 205 205 GLY H H 1 8.600 0.009 . . . . . . . 776 G H . 27795 1 694 . 1 . 1 205 205 GLY CA C 13 44.190 0.436 . . . . . . . 776 G CA . 27795 1 695 . 1 . 1 205 205 GLY N N 15 108.117 0.052 . . . . . . . 776 G N . 27795 1 696 . 1 . 1 206 206 PRO CA C 13 65.637 0.077 . . . . . . . 777 P CA . 27795 1 697 . 1 . 1 206 206 PRO CB C 13 31.190 0.019 . . . . . . . 777 P CB . 27795 1 698 . 1 . 1 207 207 GLY H H 1 8.648 0.015 . . . . . . . 778 G H . 27795 1 699 . 1 . 1 207 207 GLY CA C 13 47.075 0.034 . . . . . . . 778 G CA . 27795 1 700 . 1 . 1 207 207 GLY N N 15 101.215 0.040 . . . . . . . 778 G N . 27795 1 701 . 1 . 1 208 208 VAL H H 1 6.893 0.021 . . . . . . . 779 V H . 27795 1 702 . 1 . 1 208 208 VAL CA C 13 55.115 10.233 . . . . . . . 779 V CA . 27795 1 703 . 1 . 1 208 208 VAL CB C 13 30.155 0.060 . . . . . . . 779 V CB . 27795 1 704 . 1 . 1 208 208 VAL N N 15 106.738 0.025 . . . . . . . 779 V N . 27795 1 705 . 1 . 1 209 209 ALA H H 1 7.116 0.021 . . . . . . . 780 A H . 27795 1 706 . 1 . 1 209 209 ALA CA C 13 52.523 0.038 . . . . . . . 780 A CA . 27795 1 707 . 1 . 1 209 209 ALA CB C 13 19.962 0.000 . . . . . . . 780 A CB . 27795 1 708 . 1 . 1 209 209 ALA N N 15 125.812 0.019 . . . . . . . 780 A N . 27795 1 709 . 1 . 1 210 210 LYS CA C 13 59.649 0.229 . . . . . . . 781 K CA . 27795 1 710 . 1 . 1 210 210 LYS CB C 13 33.127 0.073 . . . . . . . 781 K CB . 27795 1 711 . 1 . 1 211 211 THR H H 1 7.472 0.004 . . . . . . . 782 T H . 27795 1 712 . 1 . 1 211 211 THR CA C 13 60.322 0.072 . . . . . . . 782 T CA . 27795 1 713 . 1 . 1 211 211 THR CB C 13 71.726 0.148 . . . . . . . 782 T CB . 27795 1 714 . 1 . 1 211 211 THR CG2 C 13 22.118 0.000 . . . . . . . 782 T CG . 27795 1 715 . 1 . 1 211 211 THR N N 15 106.915 0.078 . . . . . . . 782 T N . 27795 1 716 . 1 . 1 212 212 GLY H H 1 8.676 0.009 . . . . . . . 783 G H . 27795 1 717 . 1 . 1 212 212 GLY CA C 13 45.333 0.058 . . . . . . . 783 G CA . 27795 1 718 . 1 . 1 212 212 GLY N N 15 108.073 0.036 . . . . . . . 783 G N . 27795 1 719 . 1 . 1 213 213 LEU H H 1 8.698 0.010 . . . . . . . 784 L H . 27795 1 720 . 1 . 1 213 213 LEU CA C 13 55.864 0.063 . . . . . . . 784 L CA . 27795 1 721 . 1 . 1 213 213 LEU CB C 13 43.454 0.047 . . . . . . . 784 L CB . 27795 1 722 . 1 . 1 213 213 LEU N N 15 123.624 0.026 . . . . . . . 784 L N . 27795 1 723 . 1 . 1 214 214 LYS H H 1 8.119 0.006 . . . . . . . 785 K H . 27795 1 724 . 1 . 1 214 214 LYS CA C 13 54.265 0.065 . . . . . . . 785 K CA . 27795 1 725 . 1 . 1 214 214 LYS CB C 13 35.099 0.016 . . . . . . . 785 K CB . 27795 1 726 . 1 . 1 214 214 LYS N N 15 119.814 0.017 . . . . . . . 785 K N . 27795 1 727 . 1 . 1 215 215 ALA H H 1 8.180 0.005 . . . . . . . 786 A H . 27795 1 728 . 1 . 1 215 215 ALA CA C 13 53.170 0.081 . . . . . . . 786 A CA . 27795 1 729 . 1 . 1 215 215 ALA CB C 13 18.846 0.037 . . . . . . . 786 A CB . 27795 1 730 . 1 . 1 215 215 ALA N N 15 124.234 0.030 . . . . . . . 786 A N . 27795 1 731 . 1 . 1 216 216 HIS H H 1 7.679 0.006 . . . . . . . 787 H H . 27795 1 732 . 1 . 1 216 216 HIS CA C 13 58.098 0.011 . . . . . . . 787 H CA . 27795 1 733 . 1 . 1 216 216 HIS CB C 13 27.707 0.000 . . . . . . . 787 H CB . 27795 1 734 . 1 . 1 216 216 HIS N N 15 110.872 0.067 . . . . . . . 787 H N . 27795 1 735 . 1 . 1 218 218 PRO CA C 13 63.462 0.041 . . . . . . . 789 P CA . 27795 1 736 . 1 . 1 218 218 PRO CB C 13 32.487 0.043 . . . . . . . 789 P CB . 27795 1 737 . 1 . 1 219 219 THR H H 1 8.752 0.016 . . . . . . . 790 T H . 27795 1 738 . 1 . 1 219 219 THR HG21 H 1 0.453 0.000 . . . . . . . 790 T HG2 . 27795 1 739 . 1 . 1 219 219 THR HG22 H 1 0.453 0.000 . . . . . . . 790 T HG2 . 27795 1 740 . 1 . 1 219 219 THR HG23 H 1 0.453 0.000 . . . . . . . 790 T HG2 . 27795 1 741 . 1 . 1 219 219 THR CA C 13 60.456 0.064 . . . . . . . 790 T CA . 27795 1 742 . 1 . 1 219 219 THR CB C 13 69.502 0.066 . . . . . . . 790 T CB . 27795 1 743 . 1 . 1 219 219 THR CG2 C 13 17.874 0.000 . . . . . . . 790 T CG2 . 27795 1 744 . 1 . 1 219 219 THR N N 15 118.549 0.044 . . . . . . . 790 T N . 27795 1 745 . 1 . 1 220 220 TYR H H 1 8.266 0.017 . . . . . . . 791 Y H . 27795 1 746 . 1 . 1 220 220 TYR CA C 13 55.815 0.036 . . . . . . . 791 Y CA . 27795 1 747 . 1 . 1 220 220 TYR CB C 13 41.263 0.144 . . . . . . . 791 Y CB . 27795 1 748 . 1 . 1 220 220 TYR N N 15 117.453 0.046 . . . . . . . 791 Y N . 27795 1 749 . 1 . 1 221 221 PHE H H 1 9.290 0.007 . . . . . . . 792 F H . 27795 1 750 . 1 . 1 221 221 PHE CA C 13 56.568 0.085 . . . . . . . 792 F CA . 27795 1 751 . 1 . 1 221 221 PHE CB C 13 41.618 0.071 . . . . . . . 792 F CB . 27795 1 752 . 1 . 1 221 221 PHE N N 15 115.096 0.051 . . . . . . . 792 F N . 27795 1 753 . 1 . 1 222 222 THR H H 1 9.472 0.006 . . . . . . . 793 T H . 27795 1 754 . 1 . 1 222 222 THR CA C 13 62.107 0.111 . . . . . . . 793 T CA . 27795 1 755 . 1 . 1 222 222 THR CB C 13 70.875 0.048 . . . . . . . 793 T CB . 27795 1 756 . 1 . 1 222 222 THR CG2 C 13 22.243 0.000 . . . . . . . 793 T CG2 . 27795 1 757 . 1 . 1 222 222 THR N N 15 118.197 0.022 . . . . . . . 793 T N . 27795 1 758 . 1 . 1 223 223 VAL H H 1 9.062 0.006 . . . . . . . 794 V H . 27795 1 759 . 1 . 1 223 223 VAL CA C 13 61.582 0.126 . . . . . . . 794 V CA . 27795 1 760 . 1 . 1 223 223 VAL CB C 13 33.370 0.041 . . . . . . . 794 V CB . 27795 1 761 . 1 . 1 223 223 VAL CG1 C 13 21.555 0.000 . . . . . . . 794 V CG# . 27795 1 762 . 1 . 1 223 223 VAL CG2 C 13 21.555 0.000 . . . . . . . 794 V CG# . 27795 1 763 . 1 . 1 223 223 VAL N N 15 124.559 0.030 . . . . . . . 794 V N . 27795 1 764 . 1 . 1 224 224 ASP H H 1 9.795 0.007 . . . . . . . 795 D H . 27795 1 765 . 1 . 1 224 224 ASP CA C 13 53.755 0.041 . . . . . . . 795 D CA . 27795 1 766 . 1 . 1 224 224 ASP CB C 13 43.024 0.165 . . . . . . . 795 D CB . 27795 1 767 . 1 . 1 224 224 ASP N N 15 128.357 0.033 . . . . . . . 795 D N . 27795 1 768 . 1 . 1 225 225 CYS H H 1 8.747 0.012 . . . . . . . 796 C H . 27795 1 769 . 1 . 1 225 225 CYS CA C 13 57.798 0.069 . . . . . . . 796 C CA . 27795 1 770 . 1 . 1 225 225 CYS CB C 13 28.344 0.062 . . . . . . . 796 C CB . 27795 1 771 . 1 . 1 225 225 CYS N N 15 124.306 0.071 . . . . . . . 796 C N . 27795 1 772 . 1 . 1 226 226 ALA H H 1 8.737 0.005 . . . . . . . 797 A H . 27795 1 773 . 1 . 1 226 226 ALA CA C 13 55.621 2.090 . . . . . . . 797 A CA . 27795 1 774 . 1 . 1 226 226 ALA CB C 13 18.996 0.021 . . . . . . . 797 A CB . 27795 1 775 . 1 . 1 226 226 ALA N N 15 126.856 0.028 . . . . . . . 797 A N . 27795 1 776 . 1 . 1 227 227 GLU H H 1 8.579 0.176 . . . . . . . 798 E H . 27795 1 777 . 1 . 1 227 227 GLU CA C 13 55.356 0.060 . . . . . . . 798 E CA . 27795 1 778 . 1 . 1 227 227 GLU CB C 13 30.822 0.009 . . . . . . . 798 E CB . 27795 1 779 . 1 . 1 227 227 GLU N N 15 114.628 1.778 . . . . . . . 798 E N . 27795 1 780 . 1 . 1 228 228 ALA H H 1 7.285 0.011 . . . . . . . 799 A H . 27795 1 781 . 1 . 1 228 228 ALA CA C 13 52.614 0.076 . . . . . . . 799 A CA . 27795 1 782 . 1 . 1 228 228 ALA CB C 13 21.575 0.040 . . . . . . . 799 A CB . 27795 1 783 . 1 . 1 228 228 ALA N N 15 120.701 0.036 . . . . . . . 799 A N . 27795 1 784 . 1 . 1 229 229 GLY H H 1 8.340 0.005 . . . . . . . 800 G H . 27795 1 785 . 1 . 1 229 229 GLY CA C 13 45.019 0.108 . . . . . . . 800 G CA . 27795 1 786 . 1 . 1 229 229 GLY N N 15 107.156 0.020 . . . . . . . 800 G N . 27795 1 787 . 1 . 1 230 230 GLN H H 1 8.372 0.011 . . . . . . . 801 Q H . 27795 1 788 . 1 . 1 230 230 GLN CA C 13 55.731 0.043 . . . . . . . 801 Q CA . 27795 1 789 . 1 . 1 230 230 GLN CB C 13 30.307 0.025 . . . . . . . 801 Q CB . 27795 1 790 . 1 . 1 230 230 GLN N N 15 121.835 0.102 . . . . . . . 801 Q N . 27795 1 791 . 1 . 1 231 231 GLY H H 1 8.158 0.005 . . . . . . . 802 G H . 27795 1 792 . 1 . 1 231 231 GLY CA C 13 44.551 0.042 . . . . . . . 802 G CA . 27795 1 793 . 1 . 1 231 231 GLY N N 15 112.067 0.044 . . . . . . . 802 G N . 27795 1 794 . 1 . 1 232 232 ASP H H 1 7.782 0.021 . . . . . . . 803 D H . 27795 1 795 . 1 . 1 232 232 ASP CA C 13 52.481 0.066 . . . . . . . 803 D CA . 27795 1 796 . 1 . 1 232 232 ASP CB C 13 42.827 0.052 . . . . . . . 803 D CB . 27795 1 797 . 1 . 1 232 232 ASP N N 15 117.249 0.022 . . . . . . . 803 D N . 27795 1 798 . 1 . 1 233 233 VAL H H 1 8.240 0.006 . . . . . . . 804 V H . 27795 1 799 . 1 . 1 233 233 VAL CA C 13 60.779 0.059 . . . . . . . 804 V CA . 27795 1 800 . 1 . 1 233 233 VAL CB C 13 33.807 0.000 . . . . . . . 804 V CB . 27795 1 801 . 1 . 1 233 233 VAL N N 15 122.483 0.022 . . . . . . . 804 V N . 27795 1 802 . 1 . 1 234 234 SER CA C 13 60.736 0.059 . . . . . . . 805 S CA . 27795 1 803 . 1 . 1 234 234 SER CB C 13 65.381 0.471 . . . . . . . 805 S CB . 27795 1 804 . 1 . 1 235 235 ILE H H 1 8.642 0.009 . . . . . . . 806 I H . 27795 1 805 . 1 . 1 235 235 ILE CA C 13 57.093 0.125 . . . . . . . 806 I CA . 27795 1 806 . 1 . 1 235 235 ILE CB C 13 39.262 0.078 . . . . . . . 806 I CB . 27795 1 807 . 1 . 1 235 235 ILE N N 15 121.447 0.047 . . . . . . . 806 I N . 27795 1 808 . 1 . 1 236 236 GLY H H 1 8.211 0.042 . . . . . . . 807 G H . 27795 1 809 . 1 . 1 236 236 GLY CA C 13 45.362 0.011 . . . . . . . 807 G CA . 27795 1 810 . 1 . 1 236 236 GLY N N 15 112.188 0.235 . . . . . . . 807 G N . 27795 1 811 . 1 . 1 239 239 CYS CA C 13 56.694 0.064 . . . . . . . 810 C CA . 27795 1 812 . 1 . 1 239 239 CYS CB C 13 43.835 0.051 . . . . . . . 810 C CB . 27795 1 813 . 1 . 1 240 240 ALA H H 1 8.465 0.005 . . . . . . . 811 A H . 27795 1 814 . 1 . 1 240 240 ALA CA C 13 53.001 0.021 . . . . . . . 811 A CA . 27795 1 815 . 1 . 1 240 240 ALA CB C 13 16.694 0.000 . . . . . . . 811 A CB . 27795 1 816 . 1 . 1 240 240 ALA N N 15 129.546 0.026 . . . . . . . 811 A N . 27795 1 817 . 1 . 1 241 241 PRO CA C 13 58.578 0.053 . . . . . . . 812 P CA . 27795 1 818 . 1 . 1 241 241 PRO CB C 13 28.154 0.078 . . . . . . . 812 P CB . 27795 1 819 . 1 . 1 242 242 GLY H H 1 8.447 0.010 . . . . . . . 813 G H . 27795 1 820 . 1 . 1 242 242 GLY CA C 13 45.549 0.089 . . . . . . . 813 G CA . 27795 1 821 . 1 . 1 242 242 GLY N N 15 111.130 0.040 . . . . . . . 813 G N . 27795 1 822 . 1 . 1 243 243 VAL H H 1 7.665 0.021 . . . . . . . 814 V H . 27795 1 823 . 1 . 1 243 243 VAL CA C 13 66.311 0.044 . . . . . . . 814 V CA . 27795 1 824 . 1 . 1 243 243 VAL CB C 13 31.828 0.133 . . . . . . . 814 V CB . 27795 1 825 . 1 . 1 243 243 VAL N N 15 121.997 0.031 . . . . . . . 814 V N . 27795 1 826 . 1 . 1 244 244 VAL H H 1 8.443 0.006 . . . . . . . 815 V H . 27795 1 827 . 1 . 1 244 244 VAL CA C 13 60.934 0.050 . . . . . . . 815 V CA . 27795 1 828 . 1 . 1 244 244 VAL CB C 13 33.016 0.023 . . . . . . . 815 V CB . 27795 1 829 . 1 . 1 244 244 VAL N N 15 112.523 0.043 . . . . . . . 815 V N . 27795 1 830 . 1 . 1 245 245 GLY H H 1 7.536 0.007 . . . . . . . 816 G H . 27795 1 831 . 1 . 1 245 245 GLY CA C 13 44.832 0.060 . . . . . . . 816 G CA . 27795 1 832 . 1 . 1 245 245 GLY N N 15 110.538 0.016 . . . . . . . 816 G N . 27795 1 833 . 1 . 1 246 246 PRO CA C 13 64.380 0.094 . . . . . . . 817 P CA . 27795 1 834 . 1 . 1 246 246 PRO CB C 13 32.166 0.109 . . . . . . . 817 P CB . 27795 1 835 . 1 . 1 247 247 ALA H H 1 7.764 0.013 . . . . . . . 818 A H . 27795 1 836 . 1 . 1 247 247 ALA HB1 H 1 1.394 0.000 . . . . . . . 818 A HB1 . 27795 1 837 . 1 . 1 247 247 ALA HB2 H 1 1.394 0.000 . . . . . . . 818 A HB1 . 27795 1 838 . 1 . 1 247 247 ALA HB3 H 1 1.394 0.000 . . . . . . . 818 A HB1 . 27795 1 839 . 1 . 1 247 247 ALA CA C 13 50.091 0.054 . . . . . . . 818 A CA . 27795 1 840 . 1 . 1 247 247 ALA CB C 13 21.629 0.052 . . . . . . . 818 A CB . 27795 1 841 . 1 . 1 247 247 ALA N N 15 120.101 0.039 . . . . . . . 818 A N . 27795 1 842 . 1 . 1 248 248 GLU H H 1 8.590 0.004 . . . . . . . 819 E H . 27795 1 843 . 1 . 1 248 248 GLU CA C 13 57.105 0.121 . . . . . . . 819 E CA . 27795 1 844 . 1 . 1 248 248 GLU CB C 13 30.814 0.118 . . . . . . . 819 E CB . 27795 1 845 . 1 . 1 248 248 GLU CG C 13 36.949 0.000 . . . . . . . 819 E CG . 27795 1 846 . 1 . 1 248 248 GLU N N 15 121.301 0.031 . . . . . . . 819 E N . 27795 1 847 . 1 . 1 249 249 ALA H H 1 7.744 0.016 . . . . . . . 820 A H . 27795 1 848 . 1 . 1 249 249 ALA HB1 H 1 1.226 0.000 . . . . . . . 820 A HB1 . 27795 1 849 . 1 . 1 249 249 ALA HB2 H 1 1.226 0.000 . . . . . . . 820 A HB1 . 27795 1 850 . 1 . 1 249 249 ALA HB3 H 1 1.226 0.000 . . . . . . . 820 A HB1 . 27795 1 851 . 1 . 1 249 249 ALA CA C 13 50.940 0.065 . . . . . . . 820 A CA . 27795 1 852 . 1 . 1 249 249 ALA CB C 13 22.857 0.035 . . . . . . . 820 A CB . 27795 1 853 . 1 . 1 249 249 ALA N N 15 124.945 0.078 . . . . . . . 820 A N . 27795 1 854 . 1 . 1 250 250 ASP H H 1 8.170 0.005 . . . . . . . 821 D H . 27795 1 855 . 1 . 1 250 250 ASP CA C 13 54.462 0.058 . . . . . . . 821 D CA . 27795 1 856 . 1 . 1 250 250 ASP CB C 13 42.522 0.000 . . . . . . . 821 D CB . 27795 1 857 . 1 . 1 250 250 ASP N N 15 119.348 0.022 . . . . . . . 821 D N . 27795 1 858 . 1 . 1 251 251 ILE CA C 13 60.691 0.143 . . . . . . . 822 I CA . 27795 1 859 . 1 . 1 252 252 ASP H H 1 8.704 0.005 . . . . . . . 823 D H . 27795 1 860 . 1 . 1 252 252 ASP CA C 13 54.825 0.078 . . . . . . . 823 D CA . 27795 1 861 . 1 . 1 252 252 ASP CB C 13 41.794 0.142 . . . . . . . 823 D CB . 27795 1 862 . 1 . 1 252 252 ASP N N 15 114.837 0.040 . . . . . . . 823 D N . 27795 1 863 . 1 . 1 253 253 PHE H H 1 7.516 0.006 . . . . . . . 824 F H . 27795 1 864 . 1 . 1 253 253 PHE CA C 13 56.235 0.089 . . . . . . . 824 F CA . 27795 1 865 . 1 . 1 253 253 PHE CB C 13 41.641 0.000 . . . . . . . 824 F CB . 27795 1 866 . 1 . 1 253 253 PHE N N 15 114.440 0.049 . . . . . . . 824 F N . 27795 1 867 . 1 . 1 254 254 ASP H H 1 8.364 0.007 . . . . . . . 825 D H . 27795 1 868 . 1 . 1 254 254 ASP CA C 13 53.870 0.066 . . . . . . . 825 D CA . 27795 1 869 . 1 . 1 254 254 ASP CB C 13 42.110 0.050 . . . . . . . 825 D CB . 27795 1 870 . 1 . 1 254 254 ASP N N 15 123.054 0.035 . . . . . . . 825 D N . 27795 1 871 . 1 . 1 255 255 ILE H H 1 8.363 0.006 . . . . . . . 826 I H . 27795 1 872 . 1 . 1 255 255 ILE CA C 13 59.659 0.094 . . . . . . . 826 I CA . 27795 1 873 . 1 . 1 255 255 ILE CB C 13 40.918 0.238 . . . . . . . 826 I CB . 27795 1 874 . 1 . 1 255 255 ILE N N 15 124.527 0.032 . . . . . . . 826 I N . 27795 1 875 . 1 . 1 256 256 ILE H H 1 9.344 0.007 . . . . . . . 827 I H . 27795 1 876 . 1 . 1 256 256 ILE HD11 H 1 0.809 0.000 . . . . . . . 827 I QD1 . 27795 1 877 . 1 . 1 256 256 ILE HD12 H 1 0.809 0.000 . . . . . . . 827 I QD1 . 27795 1 878 . 1 . 1 256 256 ILE HD13 H 1 0.809 0.000 . . . . . . . 827 I QD1 . 27795 1 879 . 1 . 1 256 256 ILE CA C 13 60.113 0.058 . . . . . . . 827 I CA . 27795 1 880 . 1 . 1 256 256 ILE CB C 13 41.319 0.008 . . . . . . . 827 I CB . 27795 1 881 . 1 . 1 256 256 ILE CG1 C 13 28.028 0.000 . . . . . . . 827 I CG1 . 27795 1 882 . 1 . 1 256 256 ILE CG2 C 13 18.028 0.000 . . . . . . . 827 I CG2 . 27795 1 883 . 1 . 1 256 256 ILE CD1 C 13 13.809 0.004 . . . . . . . 827 I CD1 . 27795 1 884 . 1 . 1 256 256 ILE N N 15 129.774 0.020 . . . . . . . 827 I N . 27795 1 885 . 1 . 1 257 257 ARG CA C 13 53.512 0.095 . . . . . . . 828 R CA . 27795 1 886 . 1 . 1 257 257 ARG CB C 13 30.780 0.013 . . . . . . . 828 R CB . 27795 1 887 . 1 . 1 258 258 ASN H H 1 8.284 0.005 . . . . . . . 829 N H . 27795 1 888 . 1 . 1 258 258 ASN CA C 13 52.590 0.097 . . . . . . . 829 N CA . 27795 1 889 . 1 . 1 258 258 ASN CB C 13 40.054 0.134 . . . . . . . 829 N CB . 27795 1 890 . 1 . 1 258 258 ASN N N 15 125.151 0.095 . . . . . . . 829 N N . 27795 1 891 . 1 . 1 259 259 ASP H H 1 8.422 0.005 . . . . . . . 830 D H . 27795 1 892 . 1 . 1 259 259 ASP CA C 13 55.326 0.118 . . . . . . . 830 D CA . 27795 1 893 . 1 . 1 259 259 ASP CB C 13 40.281 0.059 . . . . . . . 830 D CB . 27795 1 894 . 1 . 1 259 259 ASP N N 15 118.452 0.037 . . . . . . . 830 D N . 27795 1 895 . 1 . 1 260 260 ASN H H 1 7.844 0.012 . . . . . . . 831 N H . 27795 1 896 . 1 . 1 260 260 ASN CA C 13 52.465 0.092 . . . . . . . 831 N CA . 27795 1 897 . 1 . 1 260 260 ASN CB C 13 37.289 0.065 . . . . . . . 831 N CB . 27795 1 898 . 1 . 1 260 260 ASN N N 15 117.113 0.053 . . . . . . . 831 N N . 27795 1 899 . 1 . 1 261 261 ASP H H 1 8.169 0.005 . . . . . . . 832 D H . 27795 1 900 . 1 . 1 261 261 ASP CA C 13 56.196 0.071 . . . . . . . 832 D CA . 27795 1 901 . 1 . 1 261 261 ASP CB C 13 39.200 0.048 . . . . . . . 832 D CB . 27795 1 902 . 1 . 1 261 261 ASP N N 15 112.435 0.032 . . . . . . . 832 D N . 27795 1 903 . 1 . 1 262 262 THR H H 1 6.914 0.007 . . . . . . . 833 T H . 27795 1 904 . 1 . 1 262 262 THR HG21 H 1 1.195 0.000 . . . . . . . 833 T HG2 . 27795 1 905 . 1 . 1 262 262 THR HG22 H 1 1.195 0.000 . . . . . . . 833 T HG2 . 27795 1 906 . 1 . 1 262 262 THR HG23 H 1 1.195 0.000 . . . . . . . 833 T HG2 . 27795 1 907 . 1 . 1 262 262 THR CA C 13 59.842 0.072 . . . . . . . 833 T CA . 27795 1 908 . 1 . 1 262 262 THR CB C 13 73.856 0.053 . . . . . . . 833 T CB . 27795 1 909 . 1 . 1 262 262 THR CG2 C 13 20.719 0.007 . . . . . . . 833 T CG2 . 27795 1 910 . 1 . 1 262 262 THR N N 15 103.369 0.040 . . . . . . . 833 T N . 27795 1 911 . 1 . 1 263 263 PHE H H 1 9.180 0.006 . . . . . . . 834 F H . 27795 1 912 . 1 . 1 263 263 PHE CA C 13 56.245 0.077 . . . . . . . 834 F CA . 27795 1 913 . 1 . 1 263 263 PHE CB C 13 41.975 0.026 . . . . . . . 834 F CB . 27795 1 914 . 1 . 1 263 263 PHE N N 15 118.382 0.024 . . . . . . . 834 F N . 27795 1 915 . 1 . 1 264 264 THR H H 1 9.431 0.016 . . . . . . . 835 T H . 27795 1 916 . 1 . 1 264 264 THR HG21 H 1 1.141 0.003 . . . . . . . 835 T HG2 . 27795 1 917 . 1 . 1 264 264 THR HG22 H 1 1.141 0.003 . . . . . . . 835 T HG2 . 27795 1 918 . 1 . 1 264 264 THR HG23 H 1 1.141 0.003 . . . . . . . 835 T HG2 . 27795 1 919 . 1 . 1 264 264 THR CA C 13 62.116 0.085 . . . . . . . 835 T CA . 27795 1 920 . 1 . 1 264 264 THR CB C 13 70.505 0.061 . . . . . . . 835 T CB . 27795 1 921 . 1 . 1 264 264 THR CG2 C 13 22.375 0.040 . . . . . . . 835 T CG2 . 27795 1 922 . 1 . 1 264 264 THR N N 15 120.804 0.034 . . . . . . . 835 T N . 27795 1 923 . 1 . 1 265 265 VAL H H 1 9.121 0.014 . . . . . . . 836 V H . 27795 1 924 . 1 . 1 265 265 VAL HG11 H 1 0.426 0.000 . . . . . . . 836 V HG1 . 27795 1 925 . 1 . 1 265 265 VAL HG12 H 1 0.426 0.000 . . . . . . . 836 V HG1 . 27795 1 926 . 1 . 1 265 265 VAL HG13 H 1 0.426 0.000 . . . . . . . 836 V HG1 . 27795 1 927 . 1 . 1 265 265 VAL CA C 13 60.577 0.082 . . . . . . . 836 V CA . 27795 1 928 . 1 . 1 265 265 VAL CB C 13 31.490 0.028 . . . . . . . 836 V CB . 27795 1 929 . 1 . 1 265 265 VAL CG1 C 13 22.170 0.000 . . . . . . . 836 V CG1 . 27795 1 930 . 1 . 1 265 265 VAL CG2 C 13 21.884 0.575 . . . . . . . 836 V CG2 . 27795 1 931 . 1 . 1 265 265 VAL N N 15 128.780 0.022 . . . . . . . 836 V N . 27795 1 932 . 1 . 1 266 266 LYS H H 1 8.973 0.006 . . . . . . . 837 K H . 27795 1 933 . 1 . 1 266 266 LYS CA C 13 55.271 0.122 . . . . . . . 837 K CA . 27795 1 934 . 1 . 1 266 266 LYS CB C 13 35.330 0.144 . . . . . . . 837 K CB . 27795 1 935 . 1 . 1 266 266 LYS N N 15 125.263 0.024 . . . . . . . 837 K N . 27795 1 936 . 1 . 1 267 267 TYR H H 1 8.284 0.005 . . . . . . . 838 Y H . 27795 1 937 . 1 . 1 267 267 TYR CA C 13 56.843 0.050 . . . . . . . 838 Y CA . 27795 1 938 . 1 . 1 267 267 TYR CB C 13 41.728 0.087 . . . . . . . 838 Y CB . 27795 1 939 . 1 . 1 267 267 TYR N N 15 120.065 0.068 . . . . . . . 838 Y N . 27795 1 940 . 1 . 1 268 268 THR H H 1 8.975 0.020 . . . . . . . 839 T H . 27795 1 941 . 1 . 1 268 268 THR HG21 H 1 0.845 0.003 . . . . . . . 839 T HG2 . 27795 1 942 . 1 . 1 268 268 THR HG22 H 1 0.845 0.003 . . . . . . . 839 T HG2 . 27795 1 943 . 1 . 1 268 268 THR HG23 H 1 0.845 0.003 . . . . . . . 839 T HG2 . 27795 1 944 . 1 . 1 268 268 THR CA C 13 58.430 0.060 . . . . . . . 839 T CA . 27795 1 945 . 1 . 1 268 268 THR CB C 13 70.895 0.052 . . . . . . . 839 T CB . 27795 1 946 . 1 . 1 268 268 THR CG2 C 13 20.453 0.004 . . . . . . . 839 T CG2 . 27795 1 947 . 1 . 1 268 268 THR N N 15 117.285 0.032 . . . . . . . 839 T N . 27795 1 948 . 1 . 1 269 269 PRO CA C 13 62.639 0.053 . . . . . . . 840 P CA . 27795 1 949 . 1 . 1 269 269 PRO CB C 13 32.192 0.043 . . . . . . . 840 P CB . 27795 1 950 . 1 . 1 270 270 ARG H H 1 7.515 0.005 . . . . . . . 841 R H . 27795 1 951 . 1 . 1 270 270 ARG CA C 13 54.749 0.069 . . . . . . . 841 R CA . 27795 1 952 . 1 . 1 270 270 ARG CB C 13 29.070 0.029 . . . . . . . 841 R CB . 27795 1 953 . 1 . 1 270 270 ARG CG C 13 26.780 0.000 . . . . . . . 841 R CG . 27795 1 954 . 1 . 1 270 270 ARG CD C 13 43.739 0.000 . . . . . . . 841 R CD . 27795 1 955 . 1 . 1 270 270 ARG N N 15 123.829 0.026 . . . . . . . 841 R N . 27795 1 956 . 1 . 1 271 271 GLY H H 1 6.924 0.017 . . . . . . . 842 G H . 27795 1 957 . 1 . 1 271 271 GLY CA C 13 44.421 0.068 . . . . . . . 842 G CA . 27795 1 958 . 1 . 1 271 271 GLY N N 15 102.646 0.093 . . . . . . . 842 G N . 27795 1 959 . 1 . 1 272 272 ALA H H 1 8.575 0.005 . . . . . . . 843 A H . 27795 1 960 . 1 . 1 272 272 ALA HB1 H 1 1.283 0.000 . . . . . . . 843 A HB1 . 27795 1 961 . 1 . 1 272 272 ALA HB2 H 1 1.283 0.000 . . . . . . . 843 A HB1 . 27795 1 962 . 1 . 1 272 272 ALA HB3 H 1 1.283 0.000 . . . . . . . 843 A HB1 . 27795 1 963 . 1 . 1 272 272 ALA CA C 13 52.348 0.063 . . . . . . . 843 A CA . 27795 1 964 . 1 . 1 272 272 ALA CB C 13 19.563 0.157 . . . . . . . 843 A CB . 27795 1 965 . 1 . 1 272 272 ALA N N 15 122.830 0.061 . . . . . . . 843 A N . 27795 1 966 . 1 . 1 273 273 GLY H H 1 8.619 0.039 . . . . . . . 844 G H . 27795 1 967 . 1 . 1 273 273 GLY CA C 13 44.408 0.064 . . . . . . . 844 G CA . 27795 1 968 . 1 . 1 273 273 GLY N N 15 107.274 0.109 . . . . . . . 844 G N . 27795 1 969 . 1 . 1 274 274 SER H H 1 8.246 0.010 . . . . . . . 845 S H . 27795 1 970 . 1 . 1 274 274 SER CA C 13 59.156 0.094 . . . . . . . 845 S CA . 27795 1 971 . 1 . 1 274 274 SER CB C 13 63.839 0.013 . . . . . . . 845 S CB . 27795 1 972 . 1 . 1 274 274 SER N N 15 117.067 0.030 . . . . . . . 845 S N . 27795 1 973 . 1 . 1 275 275 TYR H H 1 9.217 0.011 . . . . . . . 846 Y H . 27795 1 974 . 1 . 1 275 275 TYR CA C 13 56.575 0.100 . . . . . . . 846 Y CA . 27795 1 975 . 1 . 1 275 275 TYR CB C 13 40.763 0.038 . . . . . . . 846 Y CB . 27795 1 976 . 1 . 1 275 275 TYR N N 15 126.005 0.042 . . . . . . . 846 Y N . 27795 1 977 . 1 . 1 276 276 THR H H 1 9.156 0.015 . . . . . . . 847 T H . 27795 1 978 . 1 . 1 276 276 THR HG21 H 1 0.977 0.000 . . . . . . . 847 T HG2 . 27795 1 979 . 1 . 1 276 276 THR HG22 H 1 0.977 0.000 . . . . . . . 847 T HG2 . 27795 1 980 . 1 . 1 276 276 THR HG23 H 1 0.977 0.000 . . . . . . . 847 T HG2 . 27795 1 981 . 1 . 1 276 276 THR CA C 13 61.602 0.096 . . . . . . . 847 T CA . 27795 1 982 . 1 . 1 276 276 THR CB C 13 71.067 0.133 . . . . . . . 847 T CB . 27795 1 983 . 1 . 1 276 276 THR CG2 C 13 22.443 0.120 . . . . . . . 847 T CG2 . 27795 1 984 . 1 . 1 276 276 THR N N 15 116.821 0.036 . . . . . . . 847 T N . 27795 1 985 . 1 . 1 277 277 ILE H H 1 9.520 0.006 . . . . . . . 848 I H . 27795 1 986 . 1 . 1 277 277 ILE HG21 H 1 0.448 0.000 . . . . . . . 848 I HG2 . 27795 1 987 . 1 . 1 277 277 ILE HG22 H 1 0.448 0.000 . . . . . . . 848 I HG2 . 27795 1 988 . 1 . 1 277 277 ILE HG23 H 1 0.448 0.000 . . . . . . . 848 I HG2 . 27795 1 989 . 1 . 1 277 277 ILE CA C 13 60.588 0.065 . . . . . . . 848 I CA . 27795 1 990 . 1 . 1 277 277 ILE CB C 13 40.433 0.029 . . . . . . . 848 I CB . 27795 1 991 . 1 . 1 277 277 ILE CG1 C 13 21.644 7.109 . . . . . . . 848 I CG1 . 27795 1 992 . 1 . 1 277 277 ILE CG2 C 13 17.576 0.000 . . . . . . . 848 I CG2 . 27795 1 993 . 1 . 1 277 277 ILE CD1 C 13 14.535 0.010 . . . . . . . 848 I CD1 . 27795 1 994 . 1 . 1 277 277 ILE N N 15 129.219 0.064 . . . . . . . 848 I N . 27795 1 995 . 1 . 1 278 278 MET H H 1 9.282 0.006 . . . . . . . 849 M H . 27795 1 996 . 1 . 1 278 278 MET CA C 13 53.423 0.095 . . . . . . . 849 M CA . 27795 1 997 . 1 . 1 278 278 MET CB C 13 34.229 0.078 . . . . . . . 849 M CB . 27795 1 998 . 1 . 1 278 278 MET N N 15 127.737 0.017 . . . . . . . 849 M N . 27795 1 999 . 1 . 1 279 279 VAL H H 1 8.305 0.005 . . . . . . . 850 V H . 27795 1 1000 . 1 . 1 279 279 VAL HG11 H 1 0.690 0.004 . . . . . . . 850 V HG1 . 27795 1 1001 . 1 . 1 279 279 VAL HG12 H 1 0.690 0.004 . . . . . . . 850 V HG1 . 27795 1 1002 . 1 . 1 279 279 VAL HG13 H 1 0.690 0.004 . . . . . . . 850 V HG1 . 27795 1 1003 . 1 . 1 279 279 VAL CA C 13 61.557 0.102 . . . . . . . 850 V CA . 27795 1 1004 . 1 . 1 279 279 VAL CB C 13 32.507 0.006 . . . . . . . 850 V CB . 27795 1 1005 . 1 . 1 279 279 VAL CG1 C 13 21.307 0.000 . . . . . . . 850 V CG1 . 27795 1 1006 . 1 . 1 279 279 VAL CG2 C 13 20.120 0.082 . . . . . . . 850 V CG2 . 27795 1 1007 . 1 . 1 279 279 VAL N N 15 123.377 0.046 . . . . . . . 850 V N . 27795 1 1008 . 1 . 1 280 280 LEU H H 1 9.113 0.005 . . . . . . . 851 L H . 27795 1 1009 . 1 . 1 280 280 LEU HD11 H 1 0.581 0.000 . . . . . . . 851 L QD1 . 27795 1 1010 . 1 . 1 280 280 LEU HD12 H 1 0.581 0.000 . . . . . . . 851 L QD1 . 27795 1 1011 . 1 . 1 280 280 LEU HD13 H 1 0.581 0.000 . . . . . . . 851 L QD1 . 27795 1 1012 . 1 . 1 280 280 LEU CA C 13 53.130 0.070 . . . . . . . 851 L CA . 27795 1 1013 . 1 . 1 280 280 LEU CB C 13 44.072 0.066 . . . . . . . 851 L CB . 27795 1 1014 . 1 . 1 280 280 LEU CG C 13 27.876 0.000 . . . . . . . 851 L CG . 27795 1 1015 . 1 . 1 280 280 LEU CD1 C 13 24.959 0.000 . . . . . . . 851 L CD1 . 27795 1 1016 . 1 . 1 280 280 LEU CD2 C 13 23.540 0.011 . . . . . . . 851 L CD2 . 27795 1 1017 . 1 . 1 280 280 LEU N N 15 128.491 0.038 . . . . . . . 851 L N . 27795 1 1018 . 1 . 1 281 281 PHE H H 1 9.184 0.009 . . . . . . . 852 F H . 27795 1 1019 . 1 . 1 281 281 PHE CA C 13 56.717 0.092 . . . . . . . 852 F CA . 27795 1 1020 . 1 . 1 281 281 PHE CB C 13 43.873 0.020 . . . . . . . 852 F CB . 27795 1 1021 . 1 . 1 281 281 PHE N N 15 120.286 0.028 . . . . . . . 852 F N . 27795 1 1022 . 1 . 1 282 282 ALA H H 1 8.463 0.012 . . . . . . . 853 A H . 27795 1 1023 . 1 . 1 282 282 ALA CA C 13 53.045 0.103 . . . . . . . 853 A CA . 27795 1 1024 . 1 . 1 282 282 ALA CB C 13 16.766 0.025 . . . . . . . 853 A CB . 27795 1 1025 . 1 . 1 282 282 ALA N N 15 129.357 0.004 . . . . . . . 853 A N . 27795 1 1026 . 1 . 1 283 283 ASP H H 1 8.882 0.005 . . . . . . . 854 D H . 27795 1 1027 . 1 . 1 283 283 ASP CA C 13 56.364 0.109 . . . . . . . 854 D CA . 27795 1 1028 . 1 . 1 283 283 ASP CB C 13 40.095 0.017 . . . . . . . 854 D CB . 27795 1 1029 . 1 . 1 283 283 ASP N N 15 109.443 0.018 . . . . . . . 854 D N . 27795 1 1030 . 1 . 1 284 284 GLN H H 1 7.744 0.015 . . . . . . . 855 Q H . 27795 1 1031 . 1 . 1 284 284 GLN CA C 13 54.205 0.096 . . . . . . . 855 Q CA . 27795 1 1032 . 1 . 1 284 284 GLN CB C 13 32.401 0.087 . . . . . . . 855 Q CB . 27795 1 1033 . 1 . 1 284 284 GLN N N 15 118.596 0.040 . . . . . . . 855 Q N . 27795 1 1034 . 1 . 1 285 285 ALA H H 1 8.648 0.012 . . . . . . . 856 A H . 27795 1 1035 . 1 . 1 285 285 ALA HB1 H 1 1.355 0.000 . . . . . . . 856 A QB . 27795 1 1036 . 1 . 1 285 285 ALA HB2 H 1 1.355 0.000 . . . . . . . 856 A QB . 27795 1 1037 . 1 . 1 285 285 ALA HB3 H 1 1.355 0.000 . . . . . . . 856 A QB . 27795 1 1038 . 1 . 1 285 285 ALA CA C 13 53.515 0.157 . . . . . . . 856 A CA . 27795 1 1039 . 1 . 1 285 285 ALA CB C 13 18.706 0.040 . . . . . . . 856 A CB . 27795 1 1040 . 1 . 1 285 285 ALA N N 15 125.267 0.021 . . . . . . . 856 A N . 27795 1 1041 . 1 . 1 286 286 THR H H 1 7.682 0.006 . . . . . . . 857 T H . 27795 1 1042 . 1 . 1 286 286 THR HG21 H 1 1.241 0.004 . . . . . . . 857 T HG2 . 27795 1 1043 . 1 . 1 286 286 THR HG22 H 1 1.241 0.004 . . . . . . . 857 T HG2 . 27795 1 1044 . 1 . 1 286 286 THR HG23 H 1 1.241 0.004 . . . . . . . 857 T HG2 . 27795 1 1045 . 1 . 1 286 286 THR CA C 13 61.088 0.044 . . . . . . . 857 T CA . 27795 1 1046 . 1 . 1 286 286 THR CB C 13 67.177 0.036 . . . . . . . 857 T CB . 27795 1 1047 . 1 . 1 286 286 THR CG2 C 13 22.412 0.018 . . . . . . . 857 T CG2 . 27795 1 1048 . 1 . 1 286 286 THR N N 15 112.481 0.077 . . . . . . . 857 T N . 27795 1 1049 . 1 . 1 287 287 PRO CA C 13 66.791 0.103 . . . . . . . 858 P CA . 27795 1 1050 . 1 . 1 287 287 PRO CB C 13 32.923 0.056 . . . . . . . 858 P CB . 27795 1 1051 . 1 . 1 288 288 THR H H 1 8.225 0.014 . . . . . . . 859 T H . 27795 1 1052 . 1 . 1 288 288 THR HG21 H 1 1.235 0.000 . . . . . . . 859 T HG2 . 27795 1 1053 . 1 . 1 288 288 THR HG22 H 1 1.235 0.000 . . . . . . . 859 T HG2 . 27795 1 1054 . 1 . 1 288 288 THR HG23 H 1 1.235 0.000 . . . . . . . 859 T HG2 . 27795 1 1055 . 1 . 1 288 288 THR CA C 13 60.751 0.079 . . . . . . . 859 T CA . 27795 1 1056 . 1 . 1 288 288 THR CB C 13 69.255 0.063 . . . . . . . 859 T CB . 27795 1 1057 . 1 . 1 288 288 THR CG2 C 13 22.148 0.024 . . . . . . . 859 T CG2 . 27795 1 1058 . 1 . 1 288 288 THR N N 15 105.625 0.070 . . . . . . . 859 T N . 27795 1 1059 . 1 . 1 289 289 SER H H 1 7.473 0.009 . . . . . . . 860 S H . 27795 1 1060 . 1 . 1 289 289 SER CA C 13 57.767 0.072 . . . . . . . 860 S CA . 27795 1 1061 . 1 . 1 289 289 SER CB C 13 64.397 0.000 . . . . . . . 860 S CB . 27795 1 1062 . 1 . 1 289 289 SER N N 15 116.897 0.077 . . . . . . . 860 S N . 27795 1 1063 . 1 . 1 290 290 PRO CA C 13 62.287 0.041 . . . . . . . 861 P CA . 27795 1 1064 . 1 . 1 290 290 PRO CB C 13 34.530 0.002 . . . . . . . 861 P CB . 27795 1 1065 . 1 . 1 291 291 ILE H H 1 9.388 0.008 . . . . . . . 862 I H . 27795 1 1066 . 1 . 1 291 291 ILE HD11 H 1 0.481 0.000 . . . . . . . 862 I QD1 . 27795 1 1067 . 1 . 1 291 291 ILE HD12 H 1 0.481 0.000 . . . . . . . 862 I QD1 . 27795 1 1068 . 1 . 1 291 291 ILE HD13 H 1 0.481 0.000 . . . . . . . 862 I QD1 . 27795 1 1069 . 1 . 1 291 291 ILE CA C 13 61.598 0.087 . . . . . . . 862 I CA . 27795 1 1070 . 1 . 1 291 291 ILE CB C 13 39.769 0.048 . . . . . . . 862 I CB . 27795 1 1071 . 1 . 1 291 291 ILE CG1 C 13 28.356 0.000 . . . . . . . 862 I CG1 . 27795 1 1072 . 1 . 1 291 291 ILE CG2 C 13 18.300 0.000 . . . . . . . 862 I CG2 . 27795 1 1073 . 1 . 1 291 291 ILE CD1 C 13 14.805 0.001 . . . . . . . 862 I CD1 . 27795 1 1074 . 1 . 1 291 291 ILE N N 15 126.042 0.025 . . . . . . . 862 I N . 27795 1 1075 . 1 . 1 292 292 ARG H H 1 8.475 0.009 . . . . . . . 863 R H . 27795 1 1076 . 1 . 1 292 292 ARG CA C 13 55.236 0.054 . . . . . . . 863 R CA . 27795 1 1077 . 1 . 1 292 292 ARG CB C 13 30.500 0.026 . . . . . . . 863 R CB . 27795 1 1078 . 1 . 1 292 292 ARG N N 15 128.044 0.036 . . . . . . . 863 R N . 27795 1 1079 . 1 . 1 293 293 VAL H H 1 8.798 0.005 . . . . . . . 864 V H . 27795 1 1080 . 1 . 1 293 293 VAL HG11 H 1 1.955 0.003 . . . . . . . 864 V HG1 . 27795 1 1081 . 1 . 1 293 293 VAL HG12 H 1 1.955 0.003 . . . . . . . 864 V HG1 . 27795 1 1082 . 1 . 1 293 293 VAL HG13 H 1 1.955 0.003 . . . . . . . 864 V HG1 . 27795 1 1083 . 1 . 1 293 293 VAL CA C 13 60.009 0.080 . . . . . . . 864 V CA . 27795 1 1084 . 1 . 1 293 293 VAL CB C 13 35.414 0.072 . . . . . . . 864 V CB . 27795 1 1085 . 1 . 1 293 293 VAL CG1 C 13 21.640 0.000 . . . . . . . 864 V CG1 . 27795 1 1086 . 1 . 1 293 293 VAL CG2 C 13 8.208 5.725 . . . . . . . 864 V CG2 . 27795 1 1087 . 1 . 1 293 293 VAL N N 15 121.338 0.019 . . . . . . . 864 V N . 27795 1 1088 . 1 . 1 294 294 LYS H H 1 8.100 0.005 . . . . . . . 865 K H . 27795 1 1089 . 1 . 1 294 294 LYS CA C 13 55.197 0.074 . . . . . . . 865 K CA . 27795 1 1090 . 1 . 1 294 294 LYS CB C 13 34.099 0.010 . . . . . . . 865 K CB . 27795 1 1091 . 1 . 1 294 294 LYS N N 15 124.613 0.022 . . . . . . . 865 K N . 27795 1 1092 . 1 . 1 295 295 VAL H H 1 9.093 0.008 . . . . . . . 866 V H . 27795 1 1093 . 1 . 1 295 295 VAL HG11 H 1 0.373 0.000 . . . . . . . 866 V HG1 . 27795 1 1094 . 1 . 1 295 295 VAL HG12 H 1 0.373 0.000 . . . . . . . 866 V HG1 . 27795 1 1095 . 1 . 1 295 295 VAL HG13 H 1 0.373 0.000 . . . . . . . 866 V HG1 . 27795 1 1096 . 1 . 1 295 295 VAL CA C 13 61.706 0.059 . . . . . . . 866 V CA . 27795 1 1097 . 1 . 1 295 295 VAL CB C 13 32.841 0.019 . . . . . . . 866 V CB . 27795 1 1098 . 1 . 1 295 295 VAL CG1 C 13 22.229 0.000 . . . . . . . 866 V CG1 . 27795 1 1099 . 1 . 1 295 295 VAL CG2 C 13 22.013 0.507 . . . . . . . 866 V CG2 . 27795 1 1100 . 1 . 1 295 295 VAL N N 15 129.506 0.071 . . . . . . . 866 V N . 27795 1 1101 . 1 . 1 297 297 PRO CA C 13 61.279 0.123 . . . . . . . 868 P CA . 27795 1 1102 . 1 . 1 297 297 PRO CB C 13 29.615 0.000 . . . . . . . 868 P CB . 27795 1 1103 . 1 . 1 298 298 SER H H 1 8.708 0.011 . . . . . . . 869 S H . 27795 1 1104 . 1 . 1 298 298 SER CA C 13 62.114 0.122 . . . . . . . 869 S CA . 27795 1 1105 . 1 . 1 298 298 SER CB C 13 71.344 0.000 . . . . . . . 869 S CB . 27795 1 1106 . 1 . 1 298 298 SER N N 15 123.709 0.030 . . . . . . . 869 S N . 27795 1 stop_ save_