data_16613 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16613 _Entry.Title ; SARS Coronavirus-unique domain (SUD): Three-domain molecular architecture in solution and RNA binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-19 _Entry.Accession_date 2009-11-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Margaret Johnson . A. . 16613 2 Amarnath Chatterjee . . . 16613 3 Kurt Wuthrich . . . 16613 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16613 2 'PSI, Protein Structure Initiative' 'Functional and Structural Proteomics of the SARS Coronavirus' . 16613 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16613 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 675 16613 '15N chemical shifts' 201 16613 '1H chemical shifts' 1407 16613 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-12 2009-11-19 update BMRB 'Complete entry citation' 16613 1 . . 2010-06-15 2009-11-19 original author 'original release' 16613 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16613 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20493876 _Citation.Full_citation . _Citation.Title 'SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 400 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 724 _Citation.Page_last 742 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Margaret Johnson . A. . 16613 1 2 Amarnath Chatterjee . . . 16613 1 3 Benjamin Neuman . W. . 16613 1 4 Kurt Wuthrich . . . 16613 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16613 _Assembly.ID 1 _Assembly.Name SUD-MC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SUD-MC 1 $SUD-MC A . yes native no no . . . 16613 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUD-MC _Entity.Sf_category entity _Entity.Sf_framecode SUD-MC _Entity.Entry_ID 16613 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUD-MC _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 ; GSHMGTVSWNLREMLAHAEE TRKLMPICMDVRAIMATIQR KYKGIKIQEGIVDYGVRFFF YTSKEPVASIITKLNSLNEP LVTMPIGYVTHGFNLEEAAR CMRSLKAPAVVSVSSPDAVT TYNGYLTSSSKTSEEHFVET VSLAGSYRDWSYSGQRTELG VEFLKRGDKIVYHTLESPVE FHLDGEVLSLDKLKSLLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -4 -3 -2 -1 527-720 ; _Entity.Polymer_author_seq_details ; Residues 1-4 represent a vector-derived tag. Residues 5-198 represent two domains of a multidomain protein. Residue 178 (PRO 700) is in cis conformation. ; _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15469 . nsp3(513-651) . . . . . 63.64 143 99.21 100.00 3.06e-86 . . . . 16613 1 2 no BMRB 15618 . nsp3(527-651) . . . . . 65.15 129 100.00 100.00 1.72e-89 . . . . 16613 1 3 no PDB 2JZD . "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3" . . . . . 65.15 129 100.00 100.00 1.72e-89 . . . . 16613 1 4 no PDB 2JZE . "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3, Single Conformer Closest To The Mean Coordinate" . . . . . 65.15 129 100.00 100.00 1.72e-89 . . . . 16613 1 5 no PDB 2JZF . "Nmr Conformer Closest To The Mean Coordinates Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" . . . . . 63.64 143 99.21 100.00 3.06e-86 . . . . 16613 1 6 no PDB 2KQV . "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. I: Structure Of The Sud-" . . . . . 100.00 198 100.00 100.00 3.11e-143 . . . . 16613 1 7 no PDB 2KQW . "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. Ii: Structure Of The Sud" . . . . . 100.00 198 100.00 100.00 3.11e-143 . . . . 16613 1 8 no PDB 2RNK . "Nmr Structure Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" . . . . . 63.64 143 99.21 100.00 3.06e-86 . . . . 16613 1 9 no PDB 2W2G . "Human Sars Coronavirus Unique Domain" . . . . . 64.14 264 98.43 100.00 4.21e-85 . . . . 16613 1 10 no PDB 2WCT . "Human Sars Coronavirus Unique Domain (Triclinic Form)" . . . . . 64.14 264 98.43 100.00 4.21e-85 . . . . 16613 1 11 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 12 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 98.48 4382 99.49 100.00 2.80e-125 . . . . 16613 1 13 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 14 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 98.48 4382 99.49 100.00 2.80e-125 . . . . 16613 1 15 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 16 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 98.48 4382 99.49 100.00 2.80e-125 . . . . 16613 1 17 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 18 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 19 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 98.48 4382 99.49 100.00 2.80e-125 . . . . 16613 1 20 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 21 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 22 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 98.48 4382 99.49 100.00 2.80e-125 . . . . 16613 1 23 no REF NP_828862 . "nsp3-pp1a/pp1ab [SARS coronavirus]" . . . . . 98.48 1922 99.49 100.00 9.87e-127 . . . . 16613 1 24 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 98.48 4382 99.49 100.00 2.80e-125 . . . . 16613 1 25 no SP P0C6X7 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 98.48 7073 99.49 100.00 1.04e-124 . . . . 16613 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 16613 1 2 -3 SER . 16613 1 3 -2 HIS . 16613 1 4 -1 MET . 16613 1 5 527 GLY . 16613 1 6 528 THR . 16613 1 7 529 VAL . 16613 1 8 530 SER . 16613 1 9 531 TRP . 16613 1 10 532 ASN . 16613 1 11 533 LEU . 16613 1 12 534 ARG . 16613 1 13 535 GLU . 16613 1 14 536 MET . 16613 1 15 537 LEU . 16613 1 16 538 ALA . 16613 1 17 539 HIS . 16613 1 18 540 ALA . 16613 1 19 541 GLU . 16613 1 20 542 GLU . 16613 1 21 543 THR . 16613 1 22 544 ARG . 16613 1 23 545 LYS . 16613 1 24 546 LEU . 16613 1 25 547 MET . 16613 1 26 548 PRO . 16613 1 27 549 ILE . 16613 1 28 550 CYS . 16613 1 29 551 MET . 16613 1 30 552 ASP . 16613 1 31 553 VAL . 16613 1 32 554 ARG . 16613 1 33 555 ALA . 16613 1 34 556 ILE . 16613 1 35 557 MET . 16613 1 36 558 ALA . 16613 1 37 559 THR . 16613 1 38 560 ILE . 16613 1 39 561 GLN . 16613 1 40 562 ARG . 16613 1 41 563 LYS . 16613 1 42 564 TYR . 16613 1 43 565 LYS . 16613 1 44 566 GLY . 16613 1 45 567 ILE . 16613 1 46 568 LYS . 16613 1 47 569 ILE . 16613 1 48 570 GLN . 16613 1 49 571 GLU . 16613 1 50 572 GLY . 16613 1 51 573 ILE . 16613 1 52 574 VAL . 16613 1 53 575 ASP . 16613 1 54 576 TYR . 16613 1 55 577 GLY . 16613 1 56 578 VAL . 16613 1 57 579 ARG . 16613 1 58 580 PHE . 16613 1 59 581 PHE . 16613 1 60 582 PHE . 16613 1 61 583 TYR . 16613 1 62 584 THR . 16613 1 63 585 SER . 16613 1 64 586 LYS . 16613 1 65 587 GLU . 16613 1 66 588 PRO . 16613 1 67 589 VAL . 16613 1 68 590 ALA . 16613 1 69 591 SER . 16613 1 70 592 ILE . 16613 1 71 593 ILE . 16613 1 72 594 THR . 16613 1 73 595 LYS . 16613 1 74 596 LEU . 16613 1 75 597 ASN . 16613 1 76 598 SER . 16613 1 77 599 LEU . 16613 1 78 600 ASN . 16613 1 79 601 GLU . 16613 1 80 602 PRO . 16613 1 81 603 LEU . 16613 1 82 604 VAL . 16613 1 83 605 THR . 16613 1 84 606 MET . 16613 1 85 607 PRO . 16613 1 86 608 ILE . 16613 1 87 609 GLY . 16613 1 88 610 TYR . 16613 1 89 611 VAL . 16613 1 90 612 THR . 16613 1 91 613 HIS . 16613 1 92 614 GLY . 16613 1 93 615 PHE . 16613 1 94 616 ASN . 16613 1 95 617 LEU . 16613 1 96 618 GLU . 16613 1 97 619 GLU . 16613 1 98 620 ALA . 16613 1 99 621 ALA . 16613 1 100 622 ARG . 16613 1 101 623 CYS . 16613 1 102 624 MET . 16613 1 103 625 ARG . 16613 1 104 626 SER . 16613 1 105 627 LEU . 16613 1 106 628 LYS . 16613 1 107 629 ALA . 16613 1 108 630 PRO . 16613 1 109 631 ALA . 16613 1 110 632 VAL . 16613 1 111 633 VAL . 16613 1 112 634 SER . 16613 1 113 635 VAL . 16613 1 114 636 SER . 16613 1 115 637 SER . 16613 1 116 638 PRO . 16613 1 117 639 ASP . 16613 1 118 640 ALA . 16613 1 119 641 VAL . 16613 1 120 642 THR . 16613 1 121 643 THR . 16613 1 122 644 TYR . 16613 1 123 645 ASN . 16613 1 124 646 GLY . 16613 1 125 647 TYR . 16613 1 126 648 LEU . 16613 1 127 649 THR . 16613 1 128 650 SER . 16613 1 129 651 SER . 16613 1 130 652 SER . 16613 1 131 653 LYS . 16613 1 132 654 THR . 16613 1 133 655 SER . 16613 1 134 656 GLU . 16613 1 135 657 GLU . 16613 1 136 658 HIS . 16613 1 137 659 PHE . 16613 1 138 660 VAL . 16613 1 139 661 GLU . 16613 1 140 662 THR . 16613 1 141 663 VAL . 16613 1 142 664 SER . 16613 1 143 665 LEU . 16613 1 144 666 ALA . 16613 1 145 667 GLY . 16613 1 146 668 SER . 16613 1 147 669 TYR . 16613 1 148 670 ARG . 16613 1 149 671 ASP . 16613 1 150 672 TRP . 16613 1 151 673 SER . 16613 1 152 674 TYR . 16613 1 153 675 SER . 16613 1 154 676 GLY . 16613 1 155 677 GLN . 16613 1 156 678 ARG . 16613 1 157 679 THR . 16613 1 158 680 GLU . 16613 1 159 681 LEU . 16613 1 160 682 GLY . 16613 1 161 683 VAL . 16613 1 162 684 GLU . 16613 1 163 685 PHE . 16613 1 164 686 LEU . 16613 1 165 687 LYS . 16613 1 166 688 ARG . 16613 1 167 689 GLY . 16613 1 168 690 ASP . 16613 1 169 691 LYS . 16613 1 170 692 ILE . 16613 1 171 693 VAL . 16613 1 172 694 TYR . 16613 1 173 695 HIS . 16613 1 174 696 THR . 16613 1 175 697 LEU . 16613 1 176 698 GLU . 16613 1 177 699 SER . 16613 1 178 700 PRO . 16613 1 179 701 VAL . 16613 1 180 702 GLU . 16613 1 181 703 PHE . 16613 1 182 704 HIS . 16613 1 183 705 LEU . 16613 1 184 706 ASP . 16613 1 185 707 GLY . 16613 1 186 708 GLU . 16613 1 187 709 VAL . 16613 1 188 710 LEU . 16613 1 189 711 SER . 16613 1 190 712 LEU . 16613 1 191 713 ASP . 16613 1 192 714 LYS . 16613 1 193 715 LEU . 16613 1 194 716 LYS . 16613 1 195 717 SER . 16613 1 196 718 LEU . 16613 1 197 719 LEU . 16613 1 198 720 SER . 16613 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16613 1 . SER 2 2 16613 1 . HIS 3 3 16613 1 . MET 4 4 16613 1 . GLY 5 5 16613 1 . THR 6 6 16613 1 . VAL 7 7 16613 1 . SER 8 8 16613 1 . TRP 9 9 16613 1 . ASN 10 10 16613 1 . LEU 11 11 16613 1 . ARG 12 12 16613 1 . GLU 13 13 16613 1 . MET 14 14 16613 1 . LEU 15 15 16613 1 . ALA 16 16 16613 1 . HIS 17 17 16613 1 . ALA 18 18 16613 1 . GLU 19 19 16613 1 . GLU 20 20 16613 1 . THR 21 21 16613 1 . ARG 22 22 16613 1 . LYS 23 23 16613 1 . LEU 24 24 16613 1 . MET 25 25 16613 1 . PRO 26 26 16613 1 . ILE 27 27 16613 1 . CYS 28 28 16613 1 . MET 29 29 16613 1 . ASP 30 30 16613 1 . VAL 31 31 16613 1 . ARG 32 32 16613 1 . ALA 33 33 16613 1 . ILE 34 34 16613 1 . MET 35 35 16613 1 . ALA 36 36 16613 1 . THR 37 37 16613 1 . ILE 38 38 16613 1 . GLN 39 39 16613 1 . ARG 40 40 16613 1 . LYS 41 41 16613 1 . TYR 42 42 16613 1 . LYS 43 43 16613 1 . GLY 44 44 16613 1 . ILE 45 45 16613 1 . LYS 46 46 16613 1 . ILE 47 47 16613 1 . GLN 48 48 16613 1 . GLU 49 49 16613 1 . GLY 50 50 16613 1 . ILE 51 51 16613 1 . VAL 52 52 16613 1 . ASP 53 53 16613 1 . TYR 54 54 16613 1 . GLY 55 55 16613 1 . VAL 56 56 16613 1 . ARG 57 57 16613 1 . PHE 58 58 16613 1 . PHE 59 59 16613 1 . PHE 60 60 16613 1 . TYR 61 61 16613 1 . THR 62 62 16613 1 . SER 63 63 16613 1 . LYS 64 64 16613 1 . GLU 65 65 16613 1 . PRO 66 66 16613 1 . VAL 67 67 16613 1 . ALA 68 68 16613 1 . SER 69 69 16613 1 . ILE 70 70 16613 1 . ILE 71 71 16613 1 . THR 72 72 16613 1 . LYS 73 73 16613 1 . LEU 74 74 16613 1 . ASN 75 75 16613 1 . SER 76 76 16613 1 . LEU 77 77 16613 1 . ASN 78 78 16613 1 . GLU 79 79 16613 1 . PRO 80 80 16613 1 . LEU 81 81 16613 1 . VAL 82 82 16613 1 . THR 83 83 16613 1 . MET 84 84 16613 1 . PRO 85 85 16613 1 . ILE 86 86 16613 1 . GLY 87 87 16613 1 . TYR 88 88 16613 1 . VAL 89 89 16613 1 . THR 90 90 16613 1 . HIS 91 91 16613 1 . GLY 92 92 16613 1 . PHE 93 93 16613 1 . ASN 94 94 16613 1 . LEU 95 95 16613 1 . GLU 96 96 16613 1 . GLU 97 97 16613 1 . ALA 98 98 16613 1 . ALA 99 99 16613 1 . ARG 100 100 16613 1 . CYS 101 101 16613 1 . MET 102 102 16613 1 . ARG 103 103 16613 1 . SER 104 104 16613 1 . LEU 105 105 16613 1 . LYS 106 106 16613 1 . ALA 107 107 16613 1 . PRO 108 108 16613 1 . ALA 109 109 16613 1 . VAL 110 110 16613 1 . VAL 111 111 16613 1 . SER 112 112 16613 1 . VAL 113 113 16613 1 . SER 114 114 16613 1 . SER 115 115 16613 1 . PRO 116 116 16613 1 . ASP 117 117 16613 1 . ALA 118 118 16613 1 . VAL 119 119 16613 1 . THR 120 120 16613 1 . THR 121 121 16613 1 . TYR 122 122 16613 1 . ASN 123 123 16613 1 . GLY 124 124 16613 1 . TYR 125 125 16613 1 . LEU 126 126 16613 1 . THR 127 127 16613 1 . SER 128 128 16613 1 . SER 129 129 16613 1 . SER 130 130 16613 1 . LYS 131 131 16613 1 . THR 132 132 16613 1 . SER 133 133 16613 1 . GLU 134 134 16613 1 . GLU 135 135 16613 1 . HIS 136 136 16613 1 . PHE 137 137 16613 1 . VAL 138 138 16613 1 . GLU 139 139 16613 1 . THR 140 140 16613 1 . VAL 141 141 16613 1 . SER 142 142 16613 1 . LEU 143 143 16613 1 . ALA 144 144 16613 1 . GLY 145 145 16613 1 . SER 146 146 16613 1 . TYR 147 147 16613 1 . ARG 148 148 16613 1 . ASP 149 149 16613 1 . TRP 150 150 16613 1 . SER 151 151 16613 1 . TYR 152 152 16613 1 . SER 153 153 16613 1 . GLY 154 154 16613 1 . GLN 155 155 16613 1 . ARG 156 156 16613 1 . THR 157 157 16613 1 . GLU 158 158 16613 1 . LEU 159 159 16613 1 . GLY 160 160 16613 1 . VAL 161 161 16613 1 . GLU 162 162 16613 1 . PHE 163 163 16613 1 . LEU 164 164 16613 1 . LYS 165 165 16613 1 . ARG 166 166 16613 1 . GLY 167 167 16613 1 . ASP 168 168 16613 1 . LYS 169 169 16613 1 . ILE 170 170 16613 1 . VAL 171 171 16613 1 . TYR 172 172 16613 1 . HIS 173 173 16613 1 . THR 174 174 16613 1 . LEU 175 175 16613 1 . GLU 176 176 16613 1 . SER 177 177 16613 1 . PRO 178 178 16613 1 . VAL 179 179 16613 1 . GLU 180 180 16613 1 . PHE 181 181 16613 1 . HIS 182 182 16613 1 . LEU 183 183 16613 1 . ASP 184 184 16613 1 . GLY 185 185 16613 1 . GLU 186 186 16613 1 . VAL 187 187 16613 1 . LEU 188 188 16613 1 . SER 189 189 16613 1 . LEU 190 190 16613 1 . ASP 191 191 16613 1 . LYS 192 192 16613 1 . LEU 193 193 16613 1 . LYS 194 194 16613 1 . SER 195 195 16613 1 . LEU 196 196 16613 1 . LEU 197 197 16613 1 . SER 198 198 16613 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 16613 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SUD-MC . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' HCoV-SARS 03.019.0.01.014.00.038.001. Viruses . Coronavirus 'SARS coronavirus' Tor2 . . . . . . . . . . . . . . . . . . . . 16613 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 16613 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SUD-MC . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli Rosetta(DE3) . . . . . . . . . . . . . . . pET-28b . . . . . . 16613 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16613 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SUD-MC '[U-98% 13C; U-98% 15N]' . . 1 $SUD-MC . . 1.0 . . mM . . . . 16613 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16613 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16613 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 16613 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16613 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16613 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 16613 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.227 . M 16613 1 pH 6.8 . pH 16613 1 pressure 1 . atm 16613 1 temperature 298 . K 16613 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16613 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16613 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16613 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16613 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16613 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16613 2 stop_ save_ save_ASCAN _Software.Sf_category software _Software.Sf_framecode ASCAN _Software.Entry_ID 16613 _Software.ID 3 _Software.Name ASCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fiorito F, Herrmann T, Damberger FF, Wuthrich K.' . . 16613 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16613 3 stop_ save_ save_MATCH _Software.Sf_category software _Software.Sf_framecode MATCH _Software.Entry_ID 16613 _Software.ID 4 _Software.Name MATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Volk, J., Herrmann, T., Wuthrich, K' . . 16613 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16613 4 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 16613 _Software.ID 5 _Software.Name ATNOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann T, Guntert P, Wuthrich K' . . 16613 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16613 5 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 16613 _Software.ID 6 _Software.Name CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann T, Guntert P, Wuthrich K' . . 16613 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16613 6 stop_ save_ save_OpalP _Software.Sf_category software _Software.Sf_framecode OpalP _Software.Entry_ID 16613 _Software.ID 7 _Software.Name OpalP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl P, Guntert P, Billeter M, Wuthrich K.' . . 16613 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16613 7 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 16613 _Software.ID 8 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann T, Wuthrich K' . . 16613 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16613 8 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 16613 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16613 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16613 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16613 1 2 spectrometer_2 Bruker Avance . 800 . . . 16613 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 16613 _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 [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16613 1 2 '2D [13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16613 1 3 '3D 15N-resolved [1H,1H-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16613 1 4 '3D aliphatic 13C-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16613 1 5 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16613 1 6 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16613 1 7 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16613 1 8 '4D APSY-HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16613 1 9 '3D aromatic 13C-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16613 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 16613 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16613 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16613 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16613 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 16613 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Residue 178 (PRO 700) is in cis conformation.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D 15N-resolved [1H,1H-NOESY' . . . 16613 1 4 '3D aliphatic 13C-resolved [1H,1H]-NOESY' . . . 16613 1 9 '3D aromatic 13C-resolved [1H,1H]-NOESY' . . . 16613 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 $TOPSPIN . . 16613 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.555 0.025 . 1 . . . . -2 HIS HA . 16613 1 2 . 1 1 3 3 HIS HB2 H 1 2.974 0.025 . 2 . . . . -2 HIS HB2 . 16613 1 3 . 1 1 3 3 HIS HB3 H 1 3.024 0.025 . 2 . . . . -2 HIS HB3 . 16613 1 4 . 1 1 3 3 HIS HD2 H 1 6.885 0.025 . 1 . . . . -2 HIS HD2 . 16613 1 5 . 1 1 3 3 HIS HE1 H 1 7.720 0.025 . 1 . . . . -2 HIS HE1 . 16613 1 6 . 1 1 3 3 HIS CA C 13 56.779 0.2 . 1 . . . . -2 HIS CA . 16613 1 7 . 1 1 3 3 HIS CB C 13 31.246 0.2 . 1 . . . . -2 HIS CB . 16613 1 8 . 1 1 3 3 HIS CD2 C 13 119.252 0.2 . 1 . . . . -2 HIS CD2 . 16613 1 9 . 1 1 3 3 HIS CE1 C 13 138.870 0.2 . 1 . . . . -2 HIS CE1 . 16613 1 10 . 1 1 4 4 MET H H 1 8.136 0.025 . 1 . . . . -1 MET H . 16613 1 11 . 1 1 4 4 MET HA H 1 4.471 0.025 . 1 . . . . -1 MET HA . 16613 1 12 . 1 1 4 4 MET HB2 H 1 1.950 0.025 . 2 . . . . -1 MET HB2 . 16613 1 13 . 1 1 4 4 MET HB3 H 1 1.789 0.025 . 2 . . . . -1 MET HB3 . 16613 1 14 . 1 1 4 4 MET HE1 H 1 1.995 0.025 . 1 . . . . -1 MET QE . 16613 1 15 . 1 1 4 4 MET HE2 H 1 1.995 0.025 . 1 . . . . -1 MET QE . 16613 1 16 . 1 1 4 4 MET HE3 H 1 1.995 0.025 . 1 . . . . -1 MET QE . 16613 1 17 . 1 1 4 4 MET HG2 H 1 2.390 0.025 . 2 . . . . -1 MET HG2 . 16613 1 18 . 1 1 4 4 MET HG3 H 1 2.340 0.025 . 2 . . . . -1 MET HG3 . 16613 1 19 . 1 1 4 4 MET CA C 13 55.108 0.2 . 1 . . . . -1 MET CA . 16613 1 20 . 1 1 4 4 MET CB C 13 33.814 0.2 . 1 . . . . -1 MET CB . 16613 1 21 . 1 1 4 4 MET CE C 13 17.266 0.2 . 1 . . . . -1 MET CE . 16613 1 22 . 1 1 4 4 MET CG C 13 32.134 0.2 . 1 . . . . -1 MET CG . 16613 1 23 . 1 1 4 4 MET N N 15 121.603 0.2 . 1 . . . . -1 MET N . 16613 1 24 . 1 1 5 5 GLY H H 1 7.827 0.025 . 1 . . . . 527 GLY H . 16613 1 25 . 1 1 5 5 GLY HA2 H 1 3.872 0.025 . 2 . . . . 527 GLY HA2 . 16613 1 26 . 1 1 5 5 GLY HA3 H 1 3.962 0.025 . 2 . . . . 527 GLY HA3 . 16613 1 27 . 1 1 5 5 GLY CA C 13 45.599 0.2 . 1 . . . . 527 GLY CA . 16613 1 28 . 1 1 5 5 GLY N N 15 109.006 0.2 . 1 . . . . 527 GLY N . 16613 1 29 . 1 1 6 6 THR H H 1 7.786 0.025 . 1 . . . . 528 THR H . 16613 1 30 . 1 1 6 6 THR HA H 1 5.180 0.025 . 1 . . . . 528 THR HA . 16613 1 31 . 1 1 6 6 THR HB H 1 3.969 0.025 . 1 . . . . 528 THR HB . 16613 1 32 . 1 1 6 6 THR HG21 H 1 1.084 0.025 . 1 . . . . 528 THR QG2 . 16613 1 33 . 1 1 6 6 THR HG22 H 1 1.084 0.025 . 1 . . . . 528 THR QG2 . 16613 1 34 . 1 1 6 6 THR HG23 H 1 1.084 0.025 . 1 . . . . 528 THR QG2 . 16613 1 35 . 1 1 6 6 THR CA C 13 60.979 0.2 . 1 . . . . 528 THR CA . 16613 1 36 . 1 1 6 6 THR CB C 13 68.789 0.2 . 1 . . . . 528 THR CB . 16613 1 37 . 1 1 6 6 THR CG2 C 13 25.113 0.2 . 1 . . . . 528 THR CG2 . 16613 1 38 . 1 1 6 6 THR N N 15 118.287 0.2 . 1 . . . . 528 THR N . 16613 1 39 . 1 1 7 7 VAL H H 1 8.997 0.025 . 1 . . . . 529 VAL H . 16613 1 40 . 1 1 7 7 VAL HA H 1 4.252 0.025 . 1 . . . . 529 VAL HA . 16613 1 41 . 1 1 7 7 VAL HB H 1 0.970 0.025 . 1 . . . . 529 VAL HB . 16613 1 42 . 1 1 7 7 VAL HG11 H 1 -0.937 0.025 . 1 . . . . 529 VAL QG1 . 16613 1 43 . 1 1 7 7 VAL HG12 H 1 -0.937 0.025 . 1 . . . . 529 VAL QG1 . 16613 1 44 . 1 1 7 7 VAL HG13 H 1 -0.937 0.025 . 1 . . . . 529 VAL QG1 . 16613 1 45 . 1 1 7 7 VAL HG21 H 1 0.039 0.025 . 1 . . . . 529 VAL QG2 . 16613 1 46 . 1 1 7 7 VAL HG22 H 1 0.039 0.025 . 1 . . . . 529 VAL QG2 . 16613 1 47 . 1 1 7 7 VAL HG23 H 1 0.039 0.025 . 1 . . . . 529 VAL QG2 . 16613 1 48 . 1 1 7 7 VAL CA C 13 58.700 0.2 . 1 . . . . 529 VAL CA . 16613 1 49 . 1 1 7 7 VAL CB C 13 35.655 0.2 . 1 . . . . 529 VAL CB . 16613 1 50 . 1 1 7 7 VAL CG1 C 13 16.211 0.2 . 2 . . . . 529 VAL CG1 . 16613 1 51 . 1 1 7 7 VAL CG2 C 13 20.776 0.2 . 2 . . . . 529 VAL CG2 . 16613 1 52 . 1 1 7 7 VAL N N 15 121.136 0.2 . 1 . . . . 529 VAL N . 16613 1 53 . 1 1 8 8 SER H H 1 8.227 0.025 . 1 . . . . 530 SER H . 16613 1 54 . 1 1 8 8 SER HA H 1 4.838 0.025 . 1 . . . . 530 SER HA . 16613 1 55 . 1 1 8 8 SER HB2 H 1 3.362 0.025 . 2 . . . . 530 SER HB2 . 16613 1 56 . 1 1 8 8 SER HB3 H 1 3.156 0.025 . 2 . . . . 530 SER HB3 . 16613 1 57 . 1 1 8 8 SER CA C 13 56.082 0.2 . 1 . . . . 530 SER CA . 16613 1 58 . 1 1 8 8 SER CB C 13 63.129 0.2 . 1 . . . . 530 SER CB . 16613 1 59 . 1 1 8 8 SER N N 15 113.143 0.2 . 1 . . . . 530 SER N . 16613 1 60 . 1 1 9 9 TRP H H 1 7.620 0.025 . 1 . . . . 531 TRP H . 16613 1 61 . 1 1 9 9 TRP HA H 1 5.370 0.025 . 1 . . . . 531 TRP HA . 16613 1 62 . 1 1 9 9 TRP HB2 H 1 2.776 0.025 . 2 . . . . 531 TRP HB2 . 16613 1 63 . 1 1 9 9 TRP HB3 H 1 3.082 0.025 . 2 . . . . 531 TRP HB3 . 16613 1 64 . 1 1 9 9 TRP HD1 H 1 6.989 0.025 . 1 . . . . 531 TRP HD1 . 16613 1 65 . 1 1 9 9 TRP HE1 H 1 9.916 0.025 . 1 . . . . 531 TRP HE1 . 16613 1 66 . 1 1 9 9 TRP HE3 H 1 6.751 0.025 . 1 . . . . 531 TRP HE3 . 16613 1 67 . 1 1 9 9 TRP HH2 H 1 6.049 0.025 . 1 . . . . 531 TRP HH2 . 16613 1 68 . 1 1 9 9 TRP HZ2 H 1 7.141 0.025 . 1 . . . . 531 TRP HZ2 . 16613 1 69 . 1 1 9 9 TRP HZ3 H 1 6.181 0.025 . 1 . . . . 531 TRP HZ3 . 16613 1 70 . 1 1 9 9 TRP CA C 13 52.186 0.2 . 1 . . . . 531 TRP CA . 16613 1 71 . 1 1 9 9 TRP CB C 13 33.071 0.2 . 1 . . . . 531 TRP CB . 16613 1 72 . 1 1 9 9 TRP CD1 C 13 124.392 0.2 . 1 . . . . 531 TRP CD1 . 16613 1 73 . 1 1 9 9 TRP CE3 C 13 118.386 0.2 . 1 . . . . 531 TRP CE3 . 16613 1 74 . 1 1 9 9 TRP CH2 C 13 124.042 0.2 . 1 . . . . 531 TRP CH2 . 16613 1 75 . 1 1 9 9 TRP CZ2 C 13 114.715 0.2 . 1 . . . . 531 TRP CZ2 . 16613 1 76 . 1 1 9 9 TRP CZ3 C 13 121.632 0.2 . 1 . . . . 531 TRP CZ3 . 16613 1 77 . 1 1 9 9 TRP N N 15 124.628 0.2 . 1 . . . . 531 TRP N . 16613 1 78 . 1 1 9 9 TRP NE1 N 15 127.751 0.2 . 1 . . . . 531 TRP NE1 . 16613 1 79 . 1 1 10 10 ASN H H 1 9.340 0.025 . 1 . . . . 532 ASN H . 16613 1 80 . 1 1 10 10 ASN HA H 1 4.620 0.025 . 1 . . . . 532 ASN HA . 16613 1 81 . 1 1 10 10 ASN HB2 H 1 3.287 0.025 . 2 . . . . 532 ASN HB2 . 16613 1 82 . 1 1 10 10 ASN HB3 H 1 2.905 0.025 . 2 . . . . 532 ASN HB3 . 16613 1 83 . 1 1 10 10 ASN HD21 H 1 7.423 0.025 . 2 . . . . 532 ASN HD21 . 16613 1 84 . 1 1 10 10 ASN HD22 H 1 6.614 0.025 . 2 . . . . 532 ASN HD22 . 16613 1 85 . 1 1 10 10 ASN CA C 13 51.727 0.2 . 1 . . . . 532 ASN CA . 16613 1 86 . 1 1 10 10 ASN CB C 13 38.483 0.2 . 1 . . . . 532 ASN CB . 16613 1 87 . 1 1 10 10 ASN N N 15 121.833 0.2 . 1 . . . . 532 ASN N . 16613 1 88 . 1 1 10 10 ASN ND2 N 15 111.224 0.2 . 1 . . . . 532 ASN ND2 . 16613 1 89 . 1 1 11 11 LEU H H 1 8.531 0.025 . 1 . . . . 533 LEU H . 16613 1 90 . 1 1 11 11 LEU HA H 1 4.101 0.025 . 1 . . . . 533 LEU HA . 16613 1 91 . 1 1 11 11 LEU HB2 H 1 1.651 0.025 . 2 . . . . 533 LEU HB2 . 16613 1 92 . 1 1 11 11 LEU HB3 H 1 1.850 0.025 . 2 . . . . 533 LEU HB3 . 16613 1 93 . 1 1 11 11 LEU HD11 H 1 1.069 0.025 . 2 . . . . 533 LEU QD1 . 16613 1 94 . 1 1 11 11 LEU HD12 H 1 1.069 0.025 . 2 . . . . 533 LEU QD1 . 16613 1 95 . 1 1 11 11 LEU HD13 H 1 1.069 0.025 . 2 . . . . 533 LEU QD1 . 16613 1 96 . 1 1 11 11 LEU HD21 H 1 0.996 0.025 . 2 . . . . 533 LEU QD2 . 16613 1 97 . 1 1 11 11 LEU HD22 H 1 0.996 0.025 . 2 . . . . 533 LEU QD2 . 16613 1 98 . 1 1 11 11 LEU HD23 H 1 0.996 0.025 . 2 . . . . 533 LEU QD2 . 16613 1 99 . 1 1 11 11 LEU HG H 1 1.671 0.025 . 1 . . . . 533 LEU HG . 16613 1 100 . 1 1 11 11 LEU CA C 13 58.796 0.2 . 1 . . . . 533 LEU CA . 16613 1 101 . 1 1 11 11 LEU CB C 13 41.827 0.2 . 1 . . . . 533 LEU CB . 16613 1 102 . 1 1 11 11 LEU CD1 C 13 27.010 0.2 . 2 . . . . 533 LEU CD1 . 16613 1 103 . 1 1 11 11 LEU CD2 C 13 23.667 0.2 . 2 . . . . 533 LEU CD2 . 16613 1 104 . 1 1 11 11 LEU CG C 13 27.800 0.2 . 1 . . . . 533 LEU CG . 16613 1 105 . 1 1 11 11 LEU N N 15 119.775 0.2 . 1 . . . . 533 LEU N . 16613 1 106 . 1 1 12 12 ARG H H 1 8.089 0.025 . 1 . . . . 534 ARG H . 16613 1 107 . 1 1 12 12 ARG HA H 1 3.850 0.025 . 1 . . . . 534 ARG HA . 16613 1 108 . 1 1 12 12 ARG HB3 H 1 1.830 0.025 . 2 . . . . 534 ARG HB3 . 16613 1 109 . 1 1 12 12 ARG HD2 H 1 3.146 0.025 . 2 . . . . 534 ARG QD . 16613 1 110 . 1 1 12 12 ARG HD3 H 1 3.146 0.025 . 2 . . . . 534 ARG QD . 16613 1 111 . 1 1 12 12 ARG HG2 H 1 1.682 0.025 . 2 . . . . 534 ARG HG2 . 16613 1 112 . 1 1 12 12 ARG HG3 H 1 1.473 0.025 . 2 . . . . 534 ARG HG3 . 16613 1 113 . 1 1 12 12 ARG CA C 13 60.306 0.2 . 1 . . . . 534 ARG CA . 16613 1 114 . 1 1 12 12 ARG CB C 13 29.390 0.2 . 1 . . . . 534 ARG CB . 16613 1 115 . 1 1 12 12 ARG CD C 13 43.356 0.2 . 1 . . . . 534 ARG CD . 16613 1 116 . 1 1 12 12 ARG CG C 13 28.058 0.2 . 1 . . . . 534 ARG CG . 16613 1 117 . 1 1 12 12 ARG N N 15 117.739 0.2 . 1 . . . . 534 ARG N . 16613 1 118 . 1 1 13 13 GLU H H 1 8.360 0.025 . 1 . . . . 535 GLU H . 16613 1 119 . 1 1 13 13 GLU HA H 1 3.730 0.025 . 1 . . . . 535 GLU HA . 16613 1 120 . 1 1 13 13 GLU HB2 H 1 1.180 0.025 . 2 . . . . 535 GLU HB2 . 16613 1 121 . 1 1 13 13 GLU HB3 H 1 2.162 0.025 . 2 . . . . 535 GLU HB3 . 16613 1 122 . 1 1 13 13 GLU HG2 H 1 2.206 0.025 . 2 . . . . 535 GLU HG2 . 16613 1 123 . 1 1 13 13 GLU HG3 H 1 2.188 0.025 . 2 . . . . 535 GLU HG3 . 16613 1 124 . 1 1 13 13 GLU CA C 13 59.050 0.2 . 1 . . . . 535 GLU CA . 16613 1 125 . 1 1 13 13 GLU CB C 13 29.685 0.2 . 1 . . . . 535 GLU CB . 16613 1 126 . 1 1 13 13 GLU CG C 13 37.166 0.2 . 1 . . . . 535 GLU CG . 16613 1 127 . 1 1 13 13 GLU N N 15 121.440 0.2 . 1 . . . . 535 GLU N . 16613 1 128 . 1 1 14 14 MET H H 1 8.708 0.025 . 1 . . . . 536 MET H . 16613 1 129 . 1 1 14 14 MET HA H 1 3.953 0.025 . 1 . . . . 536 MET HA . 16613 1 130 . 1 1 14 14 MET HB2 H 1 2.370 0.025 . 2 . . . . 536 MET HB2 . 16613 1 131 . 1 1 14 14 MET HB3 H 1 2.327 0.025 . 2 . . . . 536 MET HB3 . 16613 1 132 . 1 1 14 14 MET HE1 H 1 2.084 0.025 . 1 . . . . 536 MET QE . 16613 1 133 . 1 1 14 14 MET HE2 H 1 2.084 0.025 . 1 . . . . 536 MET QE . 16613 1 134 . 1 1 14 14 MET HE3 H 1 2.084 0.025 . 1 . . . . 536 MET QE . 16613 1 135 . 1 1 14 14 MET HG2 H 1 2.995 0.025 . 2 . . . . 536 MET QG . 16613 1 136 . 1 1 14 14 MET HG3 H 1 2.995 0.025 . 2 . . . . 536 MET QG . 16613 1 137 . 1 1 14 14 MET CA C 13 60.867 0.2 . 1 . . . . 536 MET CA . 16613 1 138 . 1 1 14 14 MET CB C 13 34.767 0.2 . 1 . . . . 536 MET CB . 16613 1 139 . 1 1 14 14 MET CE C 13 16.983 0.2 . 1 . . . . 536 MET CE . 16613 1 140 . 1 1 14 14 MET CG C 13 33.428 0.2 . 1 . . . . 536 MET CG . 16613 1 141 . 1 1 14 14 MET N N 15 120.552 0.2 . 1 . . . . 536 MET N . 16613 1 142 . 1 1 15 15 LEU H H 1 8.763 0.025 . 1 . . . . 537 LEU H . 16613 1 143 . 1 1 15 15 LEU HA H 1 3.978 0.025 . 1 . . . . 537 LEU HA . 16613 1 144 . 1 1 15 15 LEU HB2 H 1 1.671 0.025 . 2 . . . . 537 LEU HB2 . 16613 1 145 . 1 1 15 15 LEU HB3 H 1 1.978 0.025 . 2 . . . . 537 LEU HB3 . 16613 1 146 . 1 1 15 15 LEU HD11 H 1 1.266 0.025 . 2 . . . . 537 LEU QD1 . 16613 1 147 . 1 1 15 15 LEU HD12 H 1 1.266 0.025 . 2 . . . . 537 LEU QD1 . 16613 1 148 . 1 1 15 15 LEU HD13 H 1 1.266 0.025 . 2 . . . . 537 LEU QD1 . 16613 1 149 . 1 1 15 15 LEU HD21 H 1 0.938 0.025 . 2 . . . . 537 LEU QD2 . 16613 1 150 . 1 1 15 15 LEU HD22 H 1 0.938 0.025 . 2 . . . . 537 LEU QD2 . 16613 1 151 . 1 1 15 15 LEU HD23 H 1 0.938 0.025 . 2 . . . . 537 LEU QD2 . 16613 1 152 . 1 1 15 15 LEU HG H 1 1.973 0.025 . 1 . . . . 537 LEU HG . 16613 1 153 . 1 1 15 15 LEU CA C 13 58.110 0.2 . 1 . . . . 537 LEU CA . 16613 1 154 . 1 1 15 15 LEU CB C 13 41.820 0.2 . 1 . . . . 537 LEU CB . 16613 1 155 . 1 1 15 15 LEU CD1 C 13 23.761 0.2 . 2 . . . . 537 LEU CD1 . 16613 1 156 . 1 1 15 15 LEU CD2 C 13 26.359 0.2 . 2 . . . . 537 LEU CD2 . 16613 1 157 . 1 1 15 15 LEU CG C 13 27.467 0.2 . 1 . . . . 537 LEU CG . 16613 1 158 . 1 1 15 15 LEU N N 15 118.641 0.2 . 1 . . . . 537 LEU N . 16613 1 159 . 1 1 16 16 ALA H H 1 7.840 0.025 . 1 . . . . 538 ALA H . 16613 1 160 . 1 1 16 16 ALA HA H 1 4.030 0.025 . 1 . . . . 538 ALA HA . 16613 1 161 . 1 1 16 16 ALA HB1 H 1 1.315 0.025 . 1 . . . . 538 ALA QB . 16613 1 162 . 1 1 16 16 ALA HB2 H 1 1.315 0.025 . 1 . . . . 538 ALA QB . 16613 1 163 . 1 1 16 16 ALA HB3 H 1 1.315 0.025 . 1 . . . . 538 ALA QB . 16613 1 164 . 1 1 16 16 ALA CA C 13 55.070 0.2 . 1 . . . . 538 ALA CA . 16613 1 165 . 1 1 16 16 ALA CB C 13 17.978 0.2 . 1 . . . . 538 ALA CB . 16613 1 166 . 1 1 16 16 ALA N N 15 120.176 0.2 . 1 . . . . 538 ALA N . 16613 1 167 . 1 1 17 17 HIS H H 1 7.740 0.025 . 1 . . . . 539 HIS H . 16613 1 168 . 1 1 17 17 HIS HA H 1 4.194 0.025 . 1 . . . . 539 HIS HA . 16613 1 169 . 1 1 17 17 HIS HB2 H 1 2.723 0.025 . 2 . . . . 539 HIS HB2 . 16613 1 170 . 1 1 17 17 HIS HB3 H 1 3.193 0.025 . 2 . . . . 539 HIS HB3 . 16613 1 171 . 1 1 17 17 HIS HD2 H 1 6.429 0.025 . 1 . . . . 539 HIS HD2 . 16613 1 172 . 1 1 17 17 HIS HE1 H 1 7.717 0.025 . 1 . . . . 539 HIS HE1 . 16613 1 173 . 1 1 17 17 HIS CA C 13 59.740 0.2 . 1 . . . . 539 HIS CA . 16613 1 174 . 1 1 17 17 HIS CB C 13 29.360 0.2 . 1 . . . . 539 HIS CB . 16613 1 175 . 1 1 17 17 HIS CD2 C 13 126.570 0.2 . 1 . . . . 539 HIS CD2 . 16613 1 176 . 1 1 17 17 HIS CE1 C 13 138.874 0.2 . 1 . . . . 539 HIS CE1 . 16613 1 177 . 1 1 17 17 HIS N N 15 117.609 0.2 . 1 . . . . 539 HIS N . 16613 1 178 . 1 1 17 17 HIS ND1 N 15 185.671 0.2 . 1 . . . . 539 HIS ND1 . 16613 1 179 . 1 1 18 18 ALA H H 1 9.020 0.025 . 1 . . . . 540 ALA H . 16613 1 180 . 1 1 18 18 ALA HA H 1 3.673 0.025 . 1 . . . . 540 ALA HA . 16613 1 181 . 1 1 18 18 ALA HB1 H 1 1.429 0.025 . 1 . . . . 540 ALA QB . 16613 1 182 . 1 1 18 18 ALA HB2 H 1 1.429 0.025 . 1 . . . . 540 ALA QB . 16613 1 183 . 1 1 18 18 ALA HB3 H 1 1.429 0.025 . 1 . . . . 540 ALA QB . 16613 1 184 . 1 1 18 18 ALA CA C 13 56.070 0.2 . 1 . . . . 540 ALA CA . 16613 1 185 . 1 1 18 18 ALA CB C 13 18.650 0.2 . 1 . . . . 540 ALA CB . 16613 1 186 . 1 1 18 18 ALA N N 15 124.189 0.2 . 1 . . . . 540 ALA N . 16613 1 187 . 1 1 19 19 GLU H H 1 8.870 0.025 . 1 . . . . 541 GLU H . 16613 1 188 . 1 1 19 19 GLU HA H 1 3.710 0.025 . 1 . . . . 541 GLU HA . 16613 1 189 . 1 1 19 19 GLU HB2 H 1 1.942 0.025 . 2 . . . . 541 GLU HB2 . 16613 1 190 . 1 1 19 19 GLU HB3 H 1 2.129 0.025 . 2 . . . . 541 GLU HB3 . 16613 1 191 . 1 1 19 19 GLU HG2 H 1 2.340 0.025 . 2 . . . . 541 GLU HG2 . 16613 1 192 . 1 1 19 19 GLU HG3 H 1 2.072 0.025 . 2 . . . . 541 GLU HG3 . 16613 1 193 . 1 1 19 19 GLU CA C 13 60.000 0.2 . 1 . . . . 541 GLU CA . 16613 1 194 . 1 1 19 19 GLU CB C 13 30.118 0.2 . 1 . . . . 541 GLU CB . 16613 1 195 . 1 1 19 19 GLU CG C 13 37.256 0.2 . 1 . . . . 541 GLU CG . 16613 1 196 . 1 1 19 19 GLU N N 15 121.080 0.2 . 1 . . . . 541 GLU N . 16613 1 197 . 1 1 20 20 GLU H H 1 7.670 0.025 . 1 . . . . 542 GLU H . 16613 1 198 . 1 1 20 20 GLU HA H 1 3.990 0.025 . 1 . . . . 542 GLU HA . 16613 1 199 . 1 1 20 20 GLU HB2 H 1 2.080 0.025 . 2 . . . . 542 GLU HB2 . 16613 1 200 . 1 1 20 20 GLU HB3 H 1 1.921 0.025 . 2 . . . . 542 GLU HB3 . 16613 1 201 . 1 1 20 20 GLU HG2 H 1 2.118 0.025 . 2 . . . . 542 GLU HG2 . 16613 1 202 . 1 1 20 20 GLU HG3 H 1 2.252 0.025 . 2 . . . . 542 GLU HG3 . 16613 1 203 . 1 1 20 20 GLU CA C 13 58.940 0.2 . 1 . . . . 542 GLU CA . 16613 1 204 . 1 1 20 20 GLU CB C 13 30.460 0.2 . 1 . . . . 542 GLU CB . 16613 1 205 . 1 1 20 20 GLU CG C 13 36.155 0.2 . 1 . . . . 542 GLU CG . 16613 1 206 . 1 1 20 20 GLU N N 15 117.040 0.2 . 1 . . . . 542 GLU N . 16613 1 207 . 1 1 21 21 THR H H 1 7.602 0.025 . 1 . . . . 543 THR H . 16613 1 208 . 1 1 21 21 THR HA H 1 4.120 0.025 . 1 . . . . 543 THR HA . 16613 1 209 . 1 1 21 21 THR HB H 1 4.002 0.025 . 1 . . . . 543 THR HB . 16613 1 210 . 1 1 21 21 THR HG21 H 1 0.778 0.025 . 1 . . . . 543 THR QG2 . 16613 1 211 . 1 1 21 21 THR HG22 H 1 0.778 0.025 . 1 . . . . 543 THR QG2 . 16613 1 212 . 1 1 21 21 THR HG23 H 1 0.778 0.025 . 1 . . . . 543 THR QG2 . 16613 1 213 . 1 1 21 21 THR CA C 13 62.440 0.2 . 1 . . . . 543 THR CA . 16613 1 214 . 1 1 21 21 THR CB C 13 71.170 0.2 . 1 . . . . 543 THR CB . 16613 1 215 . 1 1 21 21 THR CG2 C 13 21.183 0.2 . 1 . . . . 543 THR CG2 . 16613 1 216 . 1 1 21 21 THR N N 15 105.107 0.2 . 1 . . . . 543 THR N . 16613 1 217 . 1 1 22 22 ARG H H 1 7.698 0.025 . 1 . . . . 544 ARG H . 16613 1 218 . 1 1 22 22 ARG HA H 1 3.940 0.025 . 1 . . . . 544 ARG HA . 16613 1 219 . 1 1 22 22 ARG HB2 H 1 1.982 0.025 . 2 . . . . 544 ARG HB2 . 16613 1 220 . 1 1 22 22 ARG HB3 H 1 2.000 0.025 . 2 . . . . 544 ARG HB3 . 16613 1 221 . 1 1 22 22 ARG HD2 H 1 3.130 0.025 . 2 . . . . 544 ARG HD2 . 16613 1 222 . 1 1 22 22 ARG HD3 H 1 3.022 0.025 . 2 . . . . 544 ARG HD3 . 16613 1 223 . 1 1 22 22 ARG HE H 1 7.057 0.025 . 1 . . . . 544 ARG HE . 16613 1 224 . 1 1 22 22 ARG HG2 H 1 1.600 0.025 . 2 . . . . 544 ARG HG2 . 16613 1 225 . 1 1 22 22 ARG HG3 H 1 1.449 0.025 . 2 . . . . 544 ARG HG3 . 16613 1 226 . 1 1 22 22 ARG CA C 13 56.480 0.2 . 1 . . . . 544 ARG CA . 16613 1 227 . 1 1 22 22 ARG CB C 13 25.207 0.2 . 1 . . . . 544 ARG CB . 16613 1 228 . 1 1 22 22 ARG CD C 13 41.973 0.2 . 1 . . . . 544 ARG CD . 16613 1 229 . 1 1 22 22 ARG CG C 13 26.067 0.2 . 1 . . . . 544 ARG CG . 16613 1 230 . 1 1 22 22 ARG N N 15 116.670 0.2 . 1 . . . . 544 ARG N . 16613 1 231 . 1 1 22 22 ARG NE N 15 83.953 0.2 . 1 . . . . 544 ARG NE . 16613 1 232 . 1 1 23 23 LYS H H 1 6.950 0.025 . 1 . . . . 545 LYS H . 16613 1 233 . 1 1 23 23 LYS HA H 1 4.185 0.025 . 1 . . . . 545 LYS HA . 16613 1 234 . 1 1 23 23 LYS HB2 H 1 1.684 0.025 . 2 . . . . 545 LYS HB2 . 16613 1 235 . 1 1 23 23 LYS HB3 H 1 1.046 0.025 . 2 . . . . 545 LYS HB3 . 16613 1 236 . 1 1 23 23 LYS HD2 H 1 1.300 0.025 . 2 . . . . 545 LYS HD2 . 16613 1 237 . 1 1 23 23 LYS HD3 H 1 1.390 0.025 . 2 . . . . 545 LYS HD3 . 16613 1 238 . 1 1 23 23 LYS HE2 H 1 2.790 0.025 . 2 . . . . 545 LYS HE2 . 16613 1 239 . 1 1 23 23 LYS HE3 H 1 2.720 0.025 . 2 . . . . 545 LYS HE3 . 16613 1 240 . 1 1 23 23 LYS HG2 H 1 1.302 0.025 . 2 . . . . 545 LYS HG2 . 16613 1 241 . 1 1 23 23 LYS HG3 H 1 1.030 0.025 . 2 . . . . 545 LYS HG3 . 16613 1 242 . 1 1 23 23 LYS CA C 13 56.670 0.2 . 1 . . . . 545 LYS CA . 16613 1 243 . 1 1 23 23 LYS CB C 13 36.406 0.2 . 1 . . . . 545 LYS CB . 16613 1 244 . 1 1 23 23 LYS CD C 13 31.043 0.2 . 1 . . . . 545 LYS CD . 16613 1 245 . 1 1 23 23 LYS CE C 13 42.412 0.2 . 1 . . . . 545 LYS CE . 16613 1 246 . 1 1 23 23 LYS CG C 13 26.912 0.2 . 1 . . . . 545 LYS CG . 16613 1 247 . 1 1 23 23 LYS N N 15 117.730 0.2 . 1 . . . . 545 LYS N . 16613 1 248 . 1 1 24 24 LEU H H 1 7.924 0.025 . 1 . . . . 546 LEU H . 16613 1 249 . 1 1 24 24 LEU HA H 1 4.492 0.025 . 1 . . . . 546 LEU HA . 16613 1 250 . 1 1 24 24 LEU HB2 H 1 1.344 0.025 . 2 . . . . 546 LEU HB2 . 16613 1 251 . 1 1 24 24 LEU HB3 H 1 1.590 0.025 . 2 . . . . 546 LEU HB3 . 16613 1 252 . 1 1 24 24 LEU HD11 H 1 0.569 0.025 . 2 . . . . 546 LEU QD1 . 16613 1 253 . 1 1 24 24 LEU HD12 H 1 0.569 0.025 . 2 . . . . 546 LEU QD1 . 16613 1 254 . 1 1 24 24 LEU HD13 H 1 0.569 0.025 . 2 . . . . 546 LEU QD1 . 16613 1 255 . 1 1 24 24 LEU HD21 H 1 0.641 0.025 . 2 . . . . 546 LEU QD2 . 16613 1 256 . 1 1 24 24 LEU HD22 H 1 0.641 0.025 . 2 . . . . 546 LEU QD2 . 16613 1 257 . 1 1 24 24 LEU HD23 H 1 0.641 0.025 . 2 . . . . 546 LEU QD2 . 16613 1 258 . 1 1 24 24 LEU HG H 1 1.133 0.025 . 1 . . . . 546 LEU HG . 16613 1 259 . 1 1 24 24 LEU CA C 13 54.479 0.2 . 1 . . . . 546 LEU CA . 16613 1 260 . 1 1 24 24 LEU CB C 13 43.616 0.2 . 1 . . . . 546 LEU CB . 16613 1 261 . 1 1 24 24 LEU CD1 C 13 26.585 0.2 . 2 . . . . 546 LEU CD1 . 16613 1 262 . 1 1 24 24 LEU CD2 C 13 25.218 0.2 . 2 . . . . 546 LEU CD2 . 16613 1 263 . 1 1 24 24 LEU CG C 13 27.346 0.2 . 1 . . . . 546 LEU CG . 16613 1 264 . 1 1 24 24 LEU N N 15 122.607 0.2 . 1 . . . . 546 LEU N . 16613 1 265 . 1 1 25 25 MET H H 1 8.790 0.025 . 1 . . . . 547 MET H . 16613 1 266 . 1 1 25 25 MET HA H 1 5.732 0.025 . 1 . . . . 547 MET HA . 16613 1 267 . 1 1 25 25 MET HB2 H 1 1.983 0.025 . 2 . . . . 547 MET HB2 . 16613 1 268 . 1 1 25 25 MET HB3 H 1 1.151 0.025 . 2 . . . . 547 MET HB3 . 16613 1 269 . 1 1 25 25 MET HE1 H 1 2.043 0.025 . 1 . . . . 547 MET QE . 16613 1 270 . 1 1 25 25 MET HE2 H 1 2.043 0.025 . 1 . . . . 547 MET QE . 16613 1 271 . 1 1 25 25 MET HE3 H 1 2.043 0.025 . 1 . . . . 547 MET QE . 16613 1 272 . 1 1 25 25 MET HG2 H 1 2.311 0.025 . 2 . . . . 547 MET HG2 . 16613 1 273 . 1 1 25 25 MET HG3 H 1 2.714 0.025 . 2 . . . . 547 MET HG3 . 16613 1 274 . 1 1 25 25 MET CA C 13 52.320 0.2 . 1 . . . . 547 MET CA . 16613 1 275 . 1 1 25 25 MET CB C 13 35.293 0.2 . 1 . . . . 547 MET CB . 16613 1 276 . 1 1 25 25 MET CE C 13 20.015 0.2 . 1 . . . . 547 MET CE . 16613 1 277 . 1 1 25 25 MET CG C 13 32.703 0.2 . 1 . . . . 547 MET CG . 16613 1 278 . 1 1 25 25 MET N N 15 126.300 0.2 . 1 . . . . 547 MET N . 16613 1 279 . 1 1 26 26 PRO HA H 1 6.003 0.025 . 1 . . . . 548 PRO HA . 16613 1 280 . 1 1 26 26 PRO HB2 H 1 2.412 0.025 . 2 . . . . 548 PRO HB2 . 16613 1 281 . 1 1 26 26 PRO HB3 H 1 2.340 0.025 . 2 . . . . 548 PRO HB3 . 16613 1 282 . 1 1 26 26 PRO HD2 H 1 4.013 0.025 . 2 . . . . 548 PRO QD . 16613 1 283 . 1 1 26 26 PRO HD3 H 1 4.013 0.025 . 2 . . . . 548 PRO QD . 16613 1 284 . 1 1 26 26 PRO HG2 H 1 1.780 0.025 . 2 . . . . 548 PRO HG2 . 16613 1 285 . 1 1 26 26 PRO HG3 H 1 2.010 0.025 . 2 . . . . 548 PRO HG3 . 16613 1 286 . 1 1 26 26 PRO CA C 13 61.665 0.2 . 1 . . . . 548 PRO CA . 16613 1 287 . 1 1 26 26 PRO CB C 13 32.560 0.2 . 1 . . . . 548 PRO CB . 16613 1 288 . 1 1 26 26 PRO CD C 13 51.720 0.2 . 1 . . . . 548 PRO CD . 16613 1 289 . 1 1 26 26 PRO CG C 13 29.700 0.2 . 1 . . . . 548 PRO CG . 16613 1 290 . 1 1 27 27 ILE H H 1 9.071 0.025 . 1 . . . . 549 ILE H . 16613 1 291 . 1 1 27 27 ILE HA H 1 4.296 0.025 . 1 . . . . 549 ILE HA . 16613 1 292 . 1 1 27 27 ILE HB H 1 1.784 0.025 . 1 . . . . 549 ILE HB . 16613 1 293 . 1 1 27 27 ILE HD11 H 1 0.876 0.025 . 1 . . . . 549 ILE QD1 . 16613 1 294 . 1 1 27 27 ILE HD12 H 1 0.876 0.025 . 1 . . . . 549 ILE QD1 . 16613 1 295 . 1 1 27 27 ILE HD13 H 1 0.876 0.025 . 1 . . . . 549 ILE QD1 . 16613 1 296 . 1 1 27 27 ILE HG12 H 1 1.626 0.025 . 2 . . . . 549 ILE HG12 . 16613 1 297 . 1 1 27 27 ILE HG13 H 1 1.272 0.025 . 2 . . . . 549 ILE HG13 . 16613 1 298 . 1 1 27 27 ILE HG21 H 1 0.728 0.025 . 1 . . . . 549 ILE QG2 . 16613 1 299 . 1 1 27 27 ILE HG22 H 1 0.728 0.025 . 1 . . . . 549 ILE QG2 . 16613 1 300 . 1 1 27 27 ILE HG23 H 1 0.728 0.025 . 1 . . . . 549 ILE QG2 . 16613 1 301 . 1 1 27 27 ILE CA C 13 57.697 0.2 . 1 . . . . 549 ILE CA . 16613 1 302 . 1 1 27 27 ILE CB C 13 41.956 0.2 . 1 . . . . 549 ILE CB . 16613 1 303 . 1 1 27 27 ILE CD1 C 13 10.550 0.2 . 1 . . . . 549 ILE CD1 . 16613 1 304 . 1 1 27 27 ILE CG1 C 13 26.902 0.2 . 1 . . . . 549 ILE CG1 . 16613 1 305 . 1 1 27 27 ILE CG2 C 13 19.278 0.2 . 1 . . . . 549 ILE CG2 . 16613 1 306 . 1 1 27 27 ILE N N 15 126.270 0.2 . 1 . . . . 549 ILE N . 16613 1 307 . 1 1 28 28 CYS H H 1 8.490 0.025 . 1 . . . . 550 CYS H . 16613 1 308 . 1 1 28 28 CYS HA H 1 3.720 0.025 . 1 . . . . 550 CYS HA . 16613 1 309 . 1 1 28 28 CYS HB2 H 1 2.757 0.025 . 2 . . . . 550 CYS HB2 . 16613 1 310 . 1 1 28 28 CYS HB3 H 1 2.670 0.025 . 2 . . . . 550 CYS HB3 . 16613 1 311 . 1 1 28 28 CYS CA C 13 57.156 0.2 . 1 . . . . 550 CYS CA . 16613 1 312 . 1 1 28 28 CYS CB C 13 27.987 0.2 . 1 . . . . 550 CYS CB . 16613 1 313 . 1 1 28 28 CYS N N 15 125.883 0.2 . 1 . . . . 550 CYS N . 16613 1 314 . 1 1 29 29 MET H H 1 8.807 0.025 . 1 . . . . 551 MET H . 16613 1 315 . 1 1 29 29 MET HA H 1 4.659 0.025 . 1 . . . . 551 MET HA . 16613 1 316 . 1 1 29 29 MET HB2 H 1 1.652 0.025 . 2 . . . . 551 MET HB2 . 16613 1 317 . 1 1 29 29 MET HB3 H 1 1.865 0.025 . 2 . . . . 551 MET HB3 . 16613 1 318 . 1 1 29 29 MET HE1 H 1 1.583 0.025 . 1 . . . . 551 MET QE . 16613 1 319 . 1 1 29 29 MET HE2 H 1 1.583 0.025 . 1 . . . . 551 MET QE . 16613 1 320 . 1 1 29 29 MET HE3 H 1 1.583 0.025 . 1 . . . . 551 MET QE . 16613 1 321 . 1 1 29 29 MET HG2 H 1 2.135 0.025 . 2 . . . . 551 MET HG2 . 16613 1 322 . 1 1 29 29 MET HG3 H 1 1.986 0.025 . 2 . . . . 551 MET HG3 . 16613 1 323 . 1 1 29 29 MET CA C 13 57.190 0.2 . 1 . . . . 551 MET CA . 16613 1 324 . 1 1 29 29 MET CB C 13 34.655 0.2 . 1 . . . . 551 MET CB . 16613 1 325 . 1 1 29 29 MET CE C 13 16.303 0.2 . 1 . . . . 551 MET CE . 16613 1 326 . 1 1 29 29 MET CG C 13 30.500 0.2 . 1 . . . . 551 MET CG . 16613 1 327 . 1 1 29 29 MET N N 15 127.438 0.2 . 1 . . . . 551 MET N . 16613 1 328 . 1 1 30 30 ASP H H 1 7.325 0.025 . 1 . . . . 552 ASP H . 16613 1 329 . 1 1 30 30 ASP HA H 1 4.580 0.025 . 1 . . . . 552 ASP HA . 16613 1 330 . 1 1 30 30 ASP HB2 H 1 2.904 0.025 . 2 . . . . 552 ASP HB2 . 16613 1 331 . 1 1 30 30 ASP HB3 H 1 2.350 0.025 . 2 . . . . 552 ASP HB3 . 16613 1 332 . 1 1 30 30 ASP CA C 13 54.708 0.2 . 1 . . . . 552 ASP CA . 16613 1 333 . 1 1 30 30 ASP CB C 13 42.142 0.2 . 1 . . . . 552 ASP CB . 16613 1 334 . 1 1 30 30 ASP N N 15 117.209 0.2 . 1 . . . . 552 ASP N . 16613 1 335 . 1 1 31 31 VAL H H 1 7.277 0.025 . 1 . . . . 553 VAL H . 16613 1 336 . 1 1 31 31 VAL HA H 1 4.068 0.025 . 1 . . . . 553 VAL HA . 16613 1 337 . 1 1 31 31 VAL HB H 1 2.240 0.025 . 1 . . . . 553 VAL HB . 16613 1 338 . 1 1 31 31 VAL HG11 H 1 1.003 0.025 . 2 . . . . 553 VAL QG1 . 16613 1 339 . 1 1 31 31 VAL HG12 H 1 1.003 0.025 . 2 . . . . 553 VAL QG1 . 16613 1 340 . 1 1 31 31 VAL HG13 H 1 1.003 0.025 . 2 . . . . 553 VAL QG1 . 16613 1 341 . 1 1 31 31 VAL HG21 H 1 0.879 0.025 . 2 . . . . 553 VAL QG2 . 16613 1 342 . 1 1 31 31 VAL HG22 H 1 0.879 0.025 . 2 . . . . 553 VAL QG2 . 16613 1 343 . 1 1 31 31 VAL HG23 H 1 0.879 0.025 . 2 . . . . 553 VAL QG2 . 16613 1 344 . 1 1 31 31 VAL CA C 13 62.141 0.2 . 1 . . . . 553 VAL CA . 16613 1 345 . 1 1 31 31 VAL CB C 13 30.154 0.2 . 1 . . . . 553 VAL CB . 16613 1 346 . 1 1 31 31 VAL CG1 C 13 22.399 0.2 . 2 . . . . 553 VAL CG1 . 16613 1 347 . 1 1 31 31 VAL CG2 C 13 21.048 0.2 . 2 . . . . 553 VAL CG2 . 16613 1 348 . 1 1 31 31 VAL N N 15 120.607 0.2 . 1 . . . . 553 VAL N . 16613 1 349 . 1 1 32 32 ARG H H 1 8.430 0.025 . 1 . . . . 554 ARG H . 16613 1 350 . 1 1 32 32 ARG HA H 1 3.802 0.025 . 1 . . . . 554 ARG HA . 16613 1 351 . 1 1 32 32 ARG HB2 H 1 1.782 0.025 . 2 . . . . 554 ARG HB2 . 16613 1 352 . 1 1 32 32 ARG HB3 H 1 1.946 0.025 . 2 . . . . 554 ARG HB3 . 16613 1 353 . 1 1 32 32 ARG HD2 H 1 3.135 0.025 . 2 . . . . 554 ARG QD . 16613 1 354 . 1 1 32 32 ARG HD3 H 1 3.135 0.025 . 2 . . . . 554 ARG QD . 16613 1 355 . 1 1 32 32 ARG HG2 H 1 1.660 0.025 . 2 . . . . 554 ARG HG2 . 16613 1 356 . 1 1 32 32 ARG HG3 H 1 1.595 0.025 . 2 . . . . 554 ARG HG3 . 16613 1 357 . 1 1 32 32 ARG CA C 13 60.093 0.2 . 1 . . . . 554 ARG CA . 16613 1 358 . 1 1 32 32 ARG CB C 13 29.846 0.2 . 1 . . . . 554 ARG CB . 16613 1 359 . 1 1 32 32 ARG CD C 13 43.260 0.2 . 1 . . . . 554 ARG CD . 16613 1 360 . 1 1 32 32 ARG CG C 13 27.243 0.2 . 1 . . . . 554 ARG CG . 16613 1 361 . 1 1 32 32 ARG N N 15 130.566 0.2 . 1 . . . . 554 ARG N . 16613 1 362 . 1 1 33 33 ALA H H 1 9.126 0.025 . 1 . . . . 555 ALA H . 16613 1 363 . 1 1 33 33 ALA HA H 1 4.097 0.025 . 1 . . . . 555 ALA HA . 16613 1 364 . 1 1 33 33 ALA HB1 H 1 1.374 0.025 . 1 . . . . 555 ALA QB . 16613 1 365 . 1 1 33 33 ALA HB2 H 1 1.374 0.025 . 1 . . . . 555 ALA QB . 16613 1 366 . 1 1 33 33 ALA HB3 H 1 1.374 0.025 . 1 . . . . 555 ALA QB . 16613 1 367 . 1 1 33 33 ALA CA C 13 55.455 0.2 . 1 . . . . 555 ALA CA . 16613 1 368 . 1 1 33 33 ALA CB C 13 18.624 0.2 . 1 . . . . 555 ALA CB . 16613 1 369 . 1 1 33 33 ALA N N 15 119.906 0.2 . 1 . . . . 555 ALA N . 16613 1 370 . 1 1 34 34 ILE H H 1 6.639 0.025 . 1 . . . . 556 ILE H . 16613 1 371 . 1 1 34 34 ILE HA H 1 3.762 0.025 . 1 . . . . 556 ILE HA . 16613 1 372 . 1 1 34 34 ILE HB H 1 1.796 0.025 . 1 . . . . 556 ILE HB . 16613 1 373 . 1 1 34 34 ILE HD11 H 1 0.976 0.025 . 1 . . . . 556 ILE QD1 . 16613 1 374 . 1 1 34 34 ILE HD12 H 1 0.976 0.025 . 1 . . . . 556 ILE QD1 . 16613 1 375 . 1 1 34 34 ILE HD13 H 1 0.976 0.025 . 1 . . . . 556 ILE QD1 . 16613 1 376 . 1 1 34 34 ILE HG12 H 1 1.697 0.025 . 2 . . . . 556 ILE HG12 . 16613 1 377 . 1 1 34 34 ILE HG13 H 1 1.166 0.025 . 2 . . . . 556 ILE HG13 . 16613 1 378 . 1 1 34 34 ILE HG21 H 1 0.968 0.025 . 1 . . . . 556 ILE QG2 . 16613 1 379 . 1 1 34 34 ILE HG22 H 1 0.968 0.025 . 1 . . . . 556 ILE QG2 . 16613 1 380 . 1 1 34 34 ILE HG23 H 1 0.968 0.025 . 1 . . . . 556 ILE QG2 . 16613 1 381 . 1 1 34 34 ILE CA C 13 64.464 0.2 . 1 . . . . 556 ILE CA . 16613 1 382 . 1 1 34 34 ILE CB C 13 38.605 0.2 . 1 . . . . 556 ILE CB . 16613 1 383 . 1 1 34 34 ILE CD1 C 13 13.501 0.2 . 1 . . . . 556 ILE CD1 . 16613 1 384 . 1 1 34 34 ILE CG1 C 13 28.872 0.2 . 1 . . . . 556 ILE CG1 . 16613 1 385 . 1 1 34 34 ILE CG2 C 13 18.007 0.2 . 1 . . . . 556 ILE CG2 . 16613 1 386 . 1 1 34 34 ILE N N 15 116.188 0.2 . 1 . . . . 556 ILE N . 16613 1 387 . 1 1 35 35 MET H H 1 7.641 0.025 . 1 . . . . 557 MET H . 16613 1 388 . 1 1 35 35 MET HA H 1 4.255 0.025 . 1 . . . . 557 MET HA . 16613 1 389 . 1 1 35 35 MET HB2 H 1 1.780 0.025 . 2 . . . . 557 MET HB2 . 16613 1 390 . 1 1 35 35 MET HB3 H 1 1.938 0.025 . 2 . . . . 557 MET HB3 . 16613 1 391 . 1 1 35 35 MET HE1 H 1 1.540 0.025 . 1 . . . . 557 MET QE . 16613 1 392 . 1 1 35 35 MET HE2 H 1 1.540 0.025 . 1 . . . . 557 MET QE . 16613 1 393 . 1 1 35 35 MET HE3 H 1 1.540 0.025 . 1 . . . . 557 MET QE . 16613 1 394 . 1 1 35 35 MET HG2 H 1 2.305 0.025 . 2 . . . . 557 MET HG2 . 16613 1 395 . 1 1 35 35 MET HG3 H 1 2.623 0.025 . 2 . . . . 557 MET HG3 . 16613 1 396 . 1 1 35 35 MET CA C 13 56.392 0.2 . 1 . . . . 557 MET CA . 16613 1 397 . 1 1 35 35 MET CB C 13 29.858 0.2 . 1 . . . . 557 MET CB . 16613 1 398 . 1 1 35 35 MET CE C 13 16.662 0.2 . 1 . . . . 557 MET CE . 16613 1 399 . 1 1 35 35 MET CG C 13 31.996 0.2 . 1 . . . . 557 MET CG . 16613 1 400 . 1 1 35 35 MET N N 15 117.972 0.2 . 1 . . . . 557 MET N . 16613 1 401 . 1 1 36 36 ALA H H 1 8.447 0.025 . 1 . . . . 558 ALA H . 16613 1 402 . 1 1 36 36 ALA HA H 1 4.072 0.025 . 1 . . . . 558 ALA HA . 16613 1 403 . 1 1 36 36 ALA HB1 H 1 1.380 0.025 . 1 . . . . 558 ALA QB . 16613 1 404 . 1 1 36 36 ALA HB2 H 1 1.380 0.025 . 1 . . . . 558 ALA QB . 16613 1 405 . 1 1 36 36 ALA HB3 H 1 1.380 0.025 . 1 . . . . 558 ALA QB . 16613 1 406 . 1 1 36 36 ALA CA C 13 55.140 0.2 . 1 . . . . 558 ALA CA . 16613 1 407 . 1 1 36 36 ALA CB C 13 17.980 0.2 . 1 . . . . 558 ALA CB . 16613 1 408 . 1 1 36 36 ALA N N 15 121.660 0.2 . 1 . . . . 558 ALA N . 16613 1 409 . 1 1 37 37 THR H H 1 7.315 0.025 . 1 . . . . 559 THR H . 16613 1 410 . 1 1 37 37 THR HA H 1 3.872 0.025 . 1 . . . . 559 THR HA . 16613 1 411 . 1 1 37 37 THR HB H 1 4.108 0.025 . 1 . . . . 559 THR HB . 16613 1 412 . 1 1 37 37 THR HG21 H 1 1.131 0.025 . 1 . . . . 559 THR QG2 . 16613 1 413 . 1 1 37 37 THR HG22 H 1 1.131 0.025 . 1 . . . . 559 THR QG2 . 16613 1 414 . 1 1 37 37 THR HG23 H 1 1.131 0.025 . 1 . . . . 559 THR QG2 . 16613 1 415 . 1 1 37 37 THR CA C 13 66.980 0.2 . 1 . . . . 559 THR CA . 16613 1 416 . 1 1 37 37 THR CB C 13 68.300 0.2 . 1 . . . . 559 THR CB . 16613 1 417 . 1 1 37 37 THR CG2 C 13 21.734 0.2 . 1 . . . . 559 THR CG2 . 16613 1 418 . 1 1 37 37 THR N N 15 115.897 0.2 . 1 . . . . 559 THR N . 16613 1 419 . 1 1 38 38 ILE H H 1 8.135 0.025 . 1 . . . . 560 ILE H . 16613 1 420 . 1 1 38 38 ILE HA H 1 3.710 0.025 . 1 . . . . 560 ILE HA . 16613 1 421 . 1 1 38 38 ILE HB H 1 1.963 0.025 . 1 . . . . 560 ILE HB . 16613 1 422 . 1 1 38 38 ILE HD11 H 1 0.801 0.025 . 1 . . . . 560 ILE QD1 . 16613 1 423 . 1 1 38 38 ILE HD12 H 1 0.801 0.025 . 1 . . . . 560 ILE QD1 . 16613 1 424 . 1 1 38 38 ILE HD13 H 1 0.801 0.025 . 1 . . . . 560 ILE QD1 . 16613 1 425 . 1 1 38 38 ILE HG12 H 1 1.807 0.025 . 2 . . . . 560 ILE HG12 . 16613 1 426 . 1 1 38 38 ILE HG13 H 1 1.304 0.025 . 2 . . . . 560 ILE HG13 . 16613 1 427 . 1 1 38 38 ILE HG21 H 1 0.801 0.025 . 1 . . . . 560 ILE QG2 . 16613 1 428 . 1 1 38 38 ILE HG22 H 1 0.801 0.025 . 1 . . . . 560 ILE QG2 . 16613 1 429 . 1 1 38 38 ILE HG23 H 1 0.801 0.025 . 1 . . . . 560 ILE QG2 . 16613 1 430 . 1 1 38 38 ILE CA C 13 66.230 0.2 . 1 . . . . 560 ILE CA . 16613 1 431 . 1 1 38 38 ILE CB C 13 38.550 0.2 . 1 . . . . 560 ILE CB . 16613 1 432 . 1 1 38 38 ILE CD1 C 13 14.909 0.2 . 1 . . . . 560 ILE CD1 . 16613 1 433 . 1 1 38 38 ILE CG1 C 13 30.103 0.2 . 1 . . . . 560 ILE CG1 . 16613 1 434 . 1 1 38 38 ILE CG2 C 13 17.829 0.2 . 1 . . . . 560 ILE CG2 . 16613 1 435 . 1 1 38 38 ILE N N 15 121.896 0.2 . 1 . . . . 560 ILE N . 16613 1 436 . 1 1 39 39 GLN H H 1 8.443 0.025 . 1 . . . . 561 GLN H . 16613 1 437 . 1 1 39 39 GLN HA H 1 3.822 0.025 . 1 . . . . 561 GLN HA . 16613 1 438 . 1 1 39 39 GLN HB2 H 1 1.999 0.025 . 2 . . . . 561 GLN QB . 16613 1 439 . 1 1 39 39 GLN HB3 H 1 1.999 0.025 . 2 . . . . 561 GLN QB . 16613 1 440 . 1 1 39 39 GLN HE21 H 1 6.923 0.025 . 2 . . . . 561 GLN HE21 . 16613 1 441 . 1 1 39 39 GLN HE22 H 1 6.736 0.025 . 2 . . . . 561 GLN HE22 . 16613 1 442 . 1 1 39 39 GLN HG2 H 1 2.344 0.025 . 2 . . . . 561 GLN HG2 . 16613 1 443 . 1 1 39 39 GLN HG3 H 1 2.043 0.025 . 2 . . . . 561 GLN HG3 . 16613 1 444 . 1 1 39 39 GLN CA C 13 59.070 0.2 . 1 . . . . 561 GLN CA . 16613 1 445 . 1 1 39 39 GLN CB C 13 29.510 0.2 . 1 . . . . 561 GLN CB . 16613 1 446 . 1 1 39 39 GLN CG C 13 36.030 0.2 . 1 . . . . 561 GLN CG . 16613 1 447 . 1 1 39 39 GLN N N 15 116.220 0.2 . 1 . . . . 561 GLN N . 16613 1 448 . 1 1 39 39 GLN NE2 N 15 110.608 0.2 . 1 . . . . 561 GLN NE2 . 16613 1 449 . 1 1 40 40 ARG H H 1 7.358 0.025 . 1 . . . . 562 ARG H . 16613 1 450 . 1 1 40 40 ARG HA H 1 4.110 0.025 . 1 . . . . 562 ARG HA . 16613 1 451 . 1 1 40 40 ARG HB2 H 1 1.841 0.025 . 2 . . . . 562 ARG QB . 16613 1 452 . 1 1 40 40 ARG HB3 H 1 1.841 0.025 . 2 . . . . 562 ARG QB . 16613 1 453 . 1 1 40 40 ARG HD2 H 1 3.142 0.025 . 2 . . . . 562 ARG QD . 16613 1 454 . 1 1 40 40 ARG HD3 H 1 3.142 0.025 . 2 . . . . 562 ARG QD . 16613 1 455 . 1 1 40 40 ARG HG2 H 1 1.680 0.025 . 2 . . . . 562 ARG HG2 . 16613 1 456 . 1 1 40 40 ARG HG3 H 1 1.559 0.025 . 2 . . . . 562 ARG HG3 . 16613 1 457 . 1 1 40 40 ARG CA C 13 58.170 0.2 . 1 . . . . 562 ARG CA . 16613 1 458 . 1 1 40 40 ARG CB C 13 30.930 0.2 . 1 . . . . 562 ARG CB . 16613 1 459 . 1 1 40 40 ARG CD C 13 43.590 0.2 . 1 . . . . 562 ARG CD . 16613 1 460 . 1 1 40 40 ARG CG C 13 27.950 0.2 . 1 . . . . 562 ARG CG . 16613 1 461 . 1 1 40 40 ARG N N 15 116.490 0.2 . 1 . . . . 562 ARG N . 16613 1 462 . 1 1 41 41 LYS H H 1 7.840 0.025 . 1 . . . . 563 LYS H . 16613 1 463 . 1 1 41 41 LYS HA H 1 3.939 0.025 . 1 . . . . 563 LYS HA . 16613 1 464 . 1 1 41 41 LYS HB2 H 1 1.561 0.025 . 2 . . . . 563 LYS HB2 . 16613 1 465 . 1 1 41 41 LYS HB3 H 1 1.351 0.025 . 2 . . . . 563 LYS HB3 . 16613 1 466 . 1 1 41 41 LYS HD2 H 1 1.478 0.025 . 2 . . . . 563 LYS HD2 . 16613 1 467 . 1 1 41 41 LYS HD3 H 1 1.382 0.025 . 2 . . . . 563 LYS HD3 . 16613 1 468 . 1 1 41 41 LYS HE2 H 1 2.859 0.025 . 2 . . . . 563 LYS QE . 16613 1 469 . 1 1 41 41 LYS HE3 H 1 2.859 0.025 . 2 . . . . 563 LYS QE . 16613 1 470 . 1 1 41 41 LYS HG2 H 1 0.670 0.025 . 2 . . . . 563 LYS HG2 . 16613 1 471 . 1 1 41 41 LYS HG3 H 1 0.994 0.025 . 2 . . . . 563 LYS HG3 . 16613 1 472 . 1 1 41 41 LYS CA C 13 58.230 0.2 . 1 . . . . 563 LYS CA . 16613 1 473 . 1 1 41 41 LYS CB C 13 33.565 0.2 . 1 . . . . 563 LYS CB . 16613 1 474 . 1 1 41 41 LYS CD C 13 28.930 0.2 . 1 . . . . 563 LYS CD . 16613 1 475 . 1 1 41 41 LYS CE C 13 42.245 0.2 . 1 . . . . 563 LYS CE . 16613 1 476 . 1 1 41 41 LYS CG C 13 25.070 0.2 . 1 . . . . 563 LYS CG . 16613 1 477 . 1 1 41 41 LYS N N 15 118.640 0.2 . 1 . . . . 563 LYS N . 16613 1 478 . 1 1 42 42 TYR H H 1 8.230 0.025 . 1 . . . . 564 TYR H . 16613 1 479 . 1 1 42 42 TYR HA H 1 4.797 0.025 . 1 . . . . 564 TYR HA . 16613 1 480 . 1 1 42 42 TYR HB2 H 1 3.113 0.025 . 2 . . . . 564 TYR HB2 . 16613 1 481 . 1 1 42 42 TYR HB3 H 1 3.060 0.025 . 2 . . . . 564 TYR HB3 . 16613 1 482 . 1 1 42 42 TYR HD1 H 1 7.439 0.025 . 3 . . . . 564 TYR QD . 16613 1 483 . 1 1 42 42 TYR HD2 H 1 7.439 0.025 . 3 . . . . 564 TYR QD . 16613 1 484 . 1 1 42 42 TYR HE1 H 1 6.788 0.025 . 3 . . . . 564 TYR QE . 16613 1 485 . 1 1 42 42 TYR HE2 H 1 6.788 0.025 . 3 . . . . 564 TYR QE . 16613 1 486 . 1 1 42 42 TYR CA C 13 55.900 0.2 . 1 . . . . 564 TYR CA . 16613 1 487 . 1 1 42 42 TYR CB C 13 36.300 0.2 . 1 . . . . 564 TYR CB . 16613 1 488 . 1 1 42 42 TYR CD1 C 13 134.126 0.2 . 3 . . . . 564 TYR CD1 . 16613 1 489 . 1 1 42 42 TYR CE1 C 13 117.527 0.2 . 3 . . . . 564 TYR CE1 . 16613 1 490 . 1 1 42 42 TYR N N 15 121.180 0.2 . 1 . . . . 564 TYR N . 16613 1 491 . 1 1 43 43 LYS H H 1 7.233 0.025 . 1 . . . . 565 LYS H . 16613 1 492 . 1 1 43 43 LYS HA H 1 4.095 0.025 . 1 . . . . 565 LYS HA . 16613 1 493 . 1 1 43 43 LYS HB2 H 1 1.730 0.025 . 2 . . . . 565 LYS HB2 . 16613 1 494 . 1 1 43 43 LYS HB3 H 1 1.771 0.025 . 2 . . . . 565 LYS HB3 . 16613 1 495 . 1 1 43 43 LYS HD2 H 1 1.686 0.025 . 2 . . . . 565 LYS QD . 16613 1 496 . 1 1 43 43 LYS HD3 H 1 1.686 0.025 . 2 . . . . 565 LYS QD . 16613 1 497 . 1 1 43 43 LYS HE2 H 1 2.991 0.025 . 2 . . . . 565 LYS QE . 16613 1 498 . 1 1 43 43 LYS HE3 H 1 2.991 0.025 . 2 . . . . 565 LYS QE . 16613 1 499 . 1 1 43 43 LYS HG2 H 1 1.388 0.025 . 2 . . . . 565 LYS HG2 . 16613 1 500 . 1 1 43 43 LYS HG3 H 1 1.467 0.025 . 2 . . . . 565 LYS HG3 . 16613 1 501 . 1 1 43 43 LYS CA C 13 58.540 0.2 . 1 . . . . 565 LYS CA . 16613 1 502 . 1 1 43 43 LYS CB C 13 32.450 0.2 . 1 . . . . 565 LYS CB . 16613 1 503 . 1 1 43 43 LYS CD C 13 29.530 0.2 . 1 . . . . 565 LYS CD . 16613 1 504 . 1 1 43 43 LYS CE C 13 42.343 0.2 . 1 . . . . 565 LYS CE . 16613 1 505 . 1 1 43 43 LYS CG C 13 24.956 0.2 . 1 . . . . 565 LYS CG . 16613 1 506 . 1 1 43 43 LYS N N 15 119.415 0.2 . 1 . . . . 565 LYS N . 16613 1 507 . 1 1 44 44 GLY H H 1 9.210 0.025 . 1 . . . . 566 GLY H . 16613 1 508 . 1 1 44 44 GLY HA2 H 1 3.616 0.025 . 2 . . . . 566 GLY HA2 . 16613 1 509 . 1 1 44 44 GLY HA3 H 1 4.266 0.025 . 2 . . . . 566 GLY HA3 . 16613 1 510 . 1 1 44 44 GLY CA C 13 45.105 0.2 . 1 . . . . 566 GLY CA . 16613 1 511 . 1 1 44 44 GLY N N 15 114.910 0.2 . 1 . . . . 566 GLY N . 16613 1 512 . 1 1 45 45 ILE H H 1 7.628 0.025 . 1 . . . . 567 ILE H . 16613 1 513 . 1 1 45 45 ILE HA H 1 2.539 0.025 . 1 . . . . 567 ILE HA . 16613 1 514 . 1 1 45 45 ILE HB H 1 1.821 0.025 . 1 . . . . 567 ILE HB . 16613 1 515 . 1 1 45 45 ILE HD11 H 1 0.758 0.025 . 1 . . . . 567 ILE QD1 . 16613 1 516 . 1 1 45 45 ILE HD12 H 1 0.758 0.025 . 1 . . . . 567 ILE QD1 . 16613 1 517 . 1 1 45 45 ILE HD13 H 1 0.758 0.025 . 1 . . . . 567 ILE QD1 . 16613 1 518 . 1 1 45 45 ILE HG12 H 1 1.098 0.025 . 2 . . . . 567 ILE HG12 . 16613 1 519 . 1 1 45 45 ILE HG13 H 1 0.690 0.025 . 2 . . . . 567 ILE HG13 . 16613 1 520 . 1 1 45 45 ILE HG21 H 1 0.911 0.025 . 1 . . . . 567 ILE QG2 . 16613 1 521 . 1 1 45 45 ILE HG22 H 1 0.911 0.025 . 1 . . . . 567 ILE QG2 . 16613 1 522 . 1 1 45 45 ILE HG23 H 1 0.911 0.025 . 1 . . . . 567 ILE QG2 . 16613 1 523 . 1 1 45 45 ILE CA C 13 62.149 0.2 . 1 . . . . 567 ILE CA . 16613 1 524 . 1 1 45 45 ILE CB C 13 38.702 0.2 . 1 . . . . 567 ILE CB . 16613 1 525 . 1 1 45 45 ILE CD1 C 13 15.593 0.2 . 1 . . . . 567 ILE CD1 . 16613 1 526 . 1 1 45 45 ILE CG1 C 13 29.392 0.2 . 1 . . . . 567 ILE CG1 . 16613 1 527 . 1 1 45 45 ILE CG2 C 13 15.423 0.2 . 1 . . . . 567 ILE CG2 . 16613 1 528 . 1 1 45 45 ILE N N 15 122.505 0.2 . 1 . . . . 567 ILE N . 16613 1 529 . 1 1 46 46 LYS H H 1 7.761 0.025 . 1 . . . . 568 LYS H . 16613 1 530 . 1 1 46 46 LYS HA H 1 4.320 0.025 . 1 . . . . 568 LYS HA . 16613 1 531 . 1 1 46 46 LYS HB2 H 1 1.531 0.025 . 2 . . . . 568 LYS HB2 . 16613 1 532 . 1 1 46 46 LYS HB3 H 1 1.606 0.025 . 2 . . . . 568 LYS HB3 . 16613 1 533 . 1 1 46 46 LYS HD2 H 1 1.540 0.025 . 2 . . . . 568 LYS QD . 16613 1 534 . 1 1 46 46 LYS HD3 H 1 1.540 0.025 . 2 . . . . 568 LYS QD . 16613 1 535 . 1 1 46 46 LYS HE2 H 1 2.878 0.025 . 2 . . . . 568 LYS QE . 16613 1 536 . 1 1 46 46 LYS HE3 H 1 2.878 0.025 . 2 . . . . 568 LYS QE . 16613 1 537 . 1 1 46 46 LYS HG2 H 1 1.103 0.025 . 2 . . . . 568 LYS HG2 . 16613 1 538 . 1 1 46 46 LYS HG3 H 1 1.248 0.025 . 2 . . . . 568 LYS HG3 . 16613 1 539 . 1 1 46 46 LYS CA C 13 54.383 0.2 . 1 . . . . 568 LYS CA . 16613 1 540 . 1 1 46 46 LYS CB C 13 32.045 0.2 . 1 . . . . 568 LYS CB . 16613 1 541 . 1 1 46 46 LYS CD C 13 29.100 0.2 . 1 . . . . 568 LYS CD . 16613 1 542 . 1 1 46 46 LYS CE C 13 42.363 0.2 . 1 . . . . 568 LYS CE . 16613 1 543 . 1 1 46 46 LYS CG C 13 24.733 0.2 . 1 . . . . 568 LYS CG . 16613 1 544 . 1 1 46 46 LYS N N 15 128.663 0.2 . 1 . . . . 568 LYS N . 16613 1 545 . 1 1 47 47 ILE H H 1 8.106 0.025 . 1 . . . . 569 ILE H . 16613 1 546 . 1 1 47 47 ILE HA H 1 3.178 0.025 . 1 . . . . 569 ILE HA . 16613 1 547 . 1 1 47 47 ILE HB H 1 1.323 0.025 . 1 . . . . 569 ILE HB . 16613 1 548 . 1 1 47 47 ILE HD11 H 1 0.251 0.025 . 1 . . . . 569 ILE QD1 . 16613 1 549 . 1 1 47 47 ILE HD12 H 1 0.251 0.025 . 1 . . . . 569 ILE QD1 . 16613 1 550 . 1 1 47 47 ILE HD13 H 1 0.251 0.025 . 1 . . . . 569 ILE QD1 . 16613 1 551 . 1 1 47 47 ILE HG12 H 1 1.026 0.025 . 2 . . . . 569 ILE HG12 . 16613 1 552 . 1 1 47 47 ILE HG13 H 1 0.637 0.025 . 2 . . . . 569 ILE HG13 . 16613 1 553 . 1 1 47 47 ILE HG21 H 1 -0.204 0.025 . 1 . . . . 569 ILE QG2 . 16613 1 554 . 1 1 47 47 ILE HG22 H 1 -0.204 0.025 . 1 . . . . 569 ILE QG2 . 16613 1 555 . 1 1 47 47 ILE HG23 H 1 -0.204 0.025 . 1 . . . . 569 ILE QG2 . 16613 1 556 . 1 1 47 47 ILE CA C 13 61.922 0.2 . 1 . . . . 569 ILE CA . 16613 1 557 . 1 1 47 47 ILE CB C 13 36.919 0.2 . 1 . . . . 569 ILE CB . 16613 1 558 . 1 1 47 47 ILE CD1 C 13 12.886 0.2 . 1 . . . . 569 ILE CD1 . 16613 1 559 . 1 1 47 47 ILE CG1 C 13 27.172 0.2 . 1 . . . . 569 ILE CG1 . 16613 1 560 . 1 1 47 47 ILE CG2 C 13 17.095 0.2 . 1 . . . . 569 ILE CG2 . 16613 1 561 . 1 1 47 47 ILE N N 15 124.439 0.2 . 1 . . . . 569 ILE N . 16613 1 562 . 1 1 48 48 GLN H H 1 6.722 0.025 . 1 . . . . 570 GLN H . 16613 1 563 . 1 1 48 48 GLN HA H 1 4.217 0.025 . 1 . . . . 570 GLN HA . 16613 1 564 . 1 1 48 48 GLN HB2 H 1 2.037 0.025 . 2 . . . . 570 GLN HB2 . 16613 1 565 . 1 1 48 48 GLN HB3 H 1 1.785 0.025 . 2 . . . . 570 GLN HB3 . 16613 1 566 . 1 1 48 48 GLN HE21 H 1 7.687 0.025 . 2 . . . . 570 GLN HE21 . 16613 1 567 . 1 1 48 48 GLN HE22 H 1 6.710 0.025 . 2 . . . . 570 GLN HE22 . 16613 1 568 . 1 1 48 48 GLN HG2 H 1 2.029 0.025 . 2 . . . . 570 GLN HG2 . 16613 1 569 . 1 1 48 48 GLN HG3 H 1 1.975 0.025 . 2 . . . . 570 GLN HG3 . 16613 1 570 . 1 1 48 48 GLN CA C 13 53.393 0.2 . 1 . . . . 570 GLN CA . 16613 1 571 . 1 1 48 48 GLN CB C 13 31.498 0.2 . 1 . . . . 570 GLN CB . 16613 1 572 . 1 1 48 48 GLN CG C 13 32.300 0.2 . 1 . . . . 570 GLN CG . 16613 1 573 . 1 1 48 48 GLN N N 15 122.729 0.2 . 1 . . . . 570 GLN N . 16613 1 574 . 1 1 48 48 GLN NE2 N 15 112.512 0.2 . 1 . . . . 570 GLN NE2 . 16613 1 575 . 1 1 49 49 GLU H H 1 8.239 0.025 . 1 . . . . 571 GLU H . 16613 1 576 . 1 1 49 49 GLU HA H 1 3.742 0.025 . 1 . . . . 571 GLU HA . 16613 1 577 . 1 1 49 49 GLU HB2 H 1 1.993 0.025 . 2 . . . . 571 GLU HB2 . 16613 1 578 . 1 1 49 49 GLU HB3 H 1 1.760 0.025 . 2 . . . . 571 GLU HB3 . 16613 1 579 . 1 1 49 49 GLU HG2 H 1 2.141 0.025 . 2 . . . . 571 GLU QG . 16613 1 580 . 1 1 49 49 GLU HG3 H 1 2.141 0.025 . 2 . . . . 571 GLU QG . 16613 1 581 . 1 1 49 49 GLU CA C 13 58.239 0.2 . 1 . . . . 571 GLU CA . 16613 1 582 . 1 1 49 49 GLU CB C 13 31.211 0.2 . 1 . . . . 571 GLU CB . 16613 1 583 . 1 1 49 49 GLU CG C 13 38.453 0.2 . 1 . . . . 571 GLU CG . 16613 1 584 . 1 1 49 49 GLU N N 15 116.512 0.2 . 1 . . . . 571 GLU N . 16613 1 585 . 1 1 50 50 GLY H H 1 8.990 0.025 . 1 . . . . 572 GLY H . 16613 1 586 . 1 1 50 50 GLY HA2 H 1 2.816 0.025 . 2 . . . . 572 GLY HA2 . 16613 1 587 . 1 1 50 50 GLY HA3 H 1 4.207 0.025 . 2 . . . . 572 GLY HA3 . 16613 1 588 . 1 1 50 50 GLY CA C 13 43.751 0.2 . 1 . . . . 572 GLY CA . 16613 1 589 . 1 1 50 50 GLY N N 15 111.504 0.2 . 1 . . . . 572 GLY N . 16613 1 590 . 1 1 51 51 ILE H H 1 8.438 0.025 . 1 . . . . 573 ILE H . 16613 1 591 . 1 1 51 51 ILE HA H 1 4.921 0.025 . 1 . . . . 573 ILE HA . 16613 1 592 . 1 1 51 51 ILE HB H 1 1.793 0.025 . 1 . . . . 573 ILE HB . 16613 1 593 . 1 1 51 51 ILE HD11 H 1 0.955 0.025 . 1 . . . . 573 ILE QD1 . 16613 1 594 . 1 1 51 51 ILE HD12 H 1 0.955 0.025 . 1 . . . . 573 ILE QD1 . 16613 1 595 . 1 1 51 51 ILE HD13 H 1 0.955 0.025 . 1 . . . . 573 ILE QD1 . 16613 1 596 . 1 1 51 51 ILE HG12 H 1 1.848 0.025 . 2 . . . . 573 ILE HG12 . 16613 1 597 . 1 1 51 51 ILE HG13 H 1 1.205 0.025 . 2 . . . . 573 ILE HG13 . 16613 1 598 . 1 1 51 51 ILE HG21 H 1 0.787 0.025 . 1 . . . . 573 ILE QG2 . 16613 1 599 . 1 1 51 51 ILE HG22 H 1 0.787 0.025 . 1 . . . . 573 ILE QG2 . 16613 1 600 . 1 1 51 51 ILE HG23 H 1 0.787 0.025 . 1 . . . . 573 ILE QG2 . 16613 1 601 . 1 1 51 51 ILE CA C 13 61.570 0.2 . 1 . . . . 573 ILE CA . 16613 1 602 . 1 1 51 51 ILE CB C 13 38.350 0.2 . 1 . . . . 573 ILE CB . 16613 1 603 . 1 1 51 51 ILE CD1 C 13 13.755 0.2 . 1 . . . . 573 ILE CD1 . 16613 1 604 . 1 1 51 51 ILE CG1 C 13 28.849 0.2 . 1 . . . . 573 ILE CG1 . 16613 1 605 . 1 1 51 51 ILE CG2 C 13 16.590 0.2 . 1 . . . . 573 ILE CG2 . 16613 1 606 . 1 1 51 51 ILE N N 15 120.630 0.2 . 1 . . . . 573 ILE N . 16613 1 607 . 1 1 52 52 VAL H H 1 8.920 0.025 . 1 . . . . 574 VAL H . 16613 1 608 . 1 1 52 52 VAL HA H 1 4.090 0.025 . 1 . . . . 574 VAL HA . 16613 1 609 . 1 1 52 52 VAL HB H 1 2.228 0.025 . 1 . . . . 574 VAL HB . 16613 1 610 . 1 1 52 52 VAL HG11 H 1 1.075 0.025 . 2 . . . . 574 VAL QG1 . 16613 1 611 . 1 1 52 52 VAL HG12 H 1 1.075 0.025 . 2 . . . . 574 VAL QG1 . 16613 1 612 . 1 1 52 52 VAL HG13 H 1 1.075 0.025 . 2 . . . . 574 VAL QG1 . 16613 1 613 . 1 1 52 52 VAL HG21 H 1 1.187 0.025 . 2 . . . . 574 VAL QG2 . 16613 1 614 . 1 1 52 52 VAL HG22 H 1 1.187 0.025 . 2 . . . . 574 VAL QG2 . 16613 1 615 . 1 1 52 52 VAL HG23 H 1 1.187 0.025 . 2 . . . . 574 VAL QG2 . 16613 1 616 . 1 1 52 52 VAL CA C 13 62.800 0.2 . 1 . . . . 574 VAL CA . 16613 1 617 . 1 1 52 52 VAL CB C 13 36.220 0.2 . 1 . . . . 574 VAL CB . 16613 1 618 . 1 1 52 52 VAL CG1 C 13 21.214 0.2 . 2 . . . . 574 VAL CG1 . 16613 1 619 . 1 1 52 52 VAL CG2 C 13 23.177 0.2 . 2 . . . . 574 VAL CG2 . 16613 1 620 . 1 1 52 52 VAL N N 15 131.440 0.2 . 1 . . . . 574 VAL N . 16613 1 621 . 1 1 53 53 ASP H H 1 8.760 0.025 . 1 . . . . 575 ASP H . 16613 1 622 . 1 1 53 53 ASP HA H 1 4.971 0.025 . 1 . . . . 575 ASP HA . 16613 1 623 . 1 1 53 53 ASP HB2 H 1 2.126 0.025 . 2 . . . . 575 ASP HB2 . 16613 1 624 . 1 1 53 53 ASP HB3 H 1 3.015 0.025 . 2 . . . . 575 ASP HB3 . 16613 1 625 . 1 1 53 53 ASP CA C 13 52.460 0.2 . 1 . . . . 575 ASP CA . 16613 1 626 . 1 1 53 53 ASP CB C 13 41.000 0.2 . 1 . . . . 575 ASP CB . 16613 1 627 . 1 1 53 53 ASP N N 15 126.440 0.2 . 1 . . . . 575 ASP N . 16613 1 628 . 1 1 54 54 TYR H H 1 8.652 0.025 . 1 . . . . 576 TYR H . 16613 1 629 . 1 1 54 54 TYR HA H 1 4.418 0.025 . 1 . . . . 576 TYR HA . 16613 1 630 . 1 1 54 54 TYR HB2 H 1 2.600 0.025 . 2 . . . . 576 TYR HB2 . 16613 1 631 . 1 1 54 54 TYR HB3 H 1 3.238 0.025 . 2 . . . . 576 TYR HB3 . 16613 1 632 . 1 1 54 54 TYR HD1 H 1 7.195 0.025 . 3 . . . . 576 TYR QD . 16613 1 633 . 1 1 54 54 TYR HD2 H 1 7.195 0.025 . 3 . . . . 576 TYR QD . 16613 1 634 . 1 1 54 54 TYR HE1 H 1 6.626 0.025 . 3 . . . . 576 TYR QE . 16613 1 635 . 1 1 54 54 TYR HE2 H 1 6.626 0.025 . 3 . . . . 576 TYR QE . 16613 1 636 . 1 1 54 54 TYR CA C 13 58.230 0.2 . 1 . . . . 576 TYR CA . 16613 1 637 . 1 1 54 54 TYR CB C 13 38.988 0.2 . 1 . . . . 576 TYR CB . 16613 1 638 . 1 1 54 54 TYR CD1 C 13 133.629 0.2 . 3 . . . . 576 TYR CD1 . 16613 1 639 . 1 1 54 54 TYR CE1 C 13 118.176 0.2 . 3 . . . . 576 TYR CE1 . 16613 1 640 . 1 1 54 54 TYR N N 15 131.130 0.2 . 1 . . . . 576 TYR N . 16613 1 641 . 1 1 55 55 GLY H H 1 8.410 0.025 . 1 . . . . 577 GLY H . 16613 1 642 . 1 1 55 55 GLY HA2 H 1 3.060 0.025 . 2 . . . . 577 GLY HA2 . 16613 1 643 . 1 1 55 55 GLY HA3 H 1 4.317 0.025 . 2 . . . . 577 GLY HA3 . 16613 1 644 . 1 1 55 55 GLY CA C 13 46.510 0.2 . 1 . . . . 577 GLY CA . 16613 1 645 . 1 1 55 55 GLY N N 15 115.707 0.2 . 1 . . . . 577 GLY N . 16613 1 646 . 1 1 56 56 VAL H H 1 7.165 0.025 . 1 . . . . 578 VAL H . 16613 1 647 . 1 1 56 56 VAL HA H 1 3.421 0.025 . 1 . . . . 578 VAL HA . 16613 1 648 . 1 1 56 56 VAL HB H 1 0.619 0.025 . 1 . . . . 578 VAL HB . 16613 1 649 . 1 1 56 56 VAL HG11 H 1 0.538 0.025 . 2 . . . . 578 VAL QG1 . 16613 1 650 . 1 1 56 56 VAL HG12 H 1 0.538 0.025 . 2 . . . . 578 VAL QG1 . 16613 1 651 . 1 1 56 56 VAL HG13 H 1 0.538 0.025 . 2 . . . . 578 VAL QG1 . 16613 1 652 . 1 1 56 56 VAL HG21 H 1 -0.179 0.025 . 2 . . . . 578 VAL QG2 . 16613 1 653 . 1 1 56 56 VAL HG22 H 1 -0.179 0.025 . 2 . . . . 578 VAL QG2 . 16613 1 654 . 1 1 56 56 VAL HG23 H 1 -0.179 0.025 . 2 . . . . 578 VAL QG2 . 16613 1 655 . 1 1 56 56 VAL CA C 13 60.730 0.2 . 1 . . . . 578 VAL CA . 16613 1 656 . 1 1 56 56 VAL CB C 13 35.330 0.2 . 1 . . . . 578 VAL CB . 16613 1 657 . 1 1 56 56 VAL CG1 C 13 24.508 0.2 . 2 . . . . 578 VAL CG1 . 16613 1 658 . 1 1 56 56 VAL CG2 C 13 21.779 0.2 . 2 . . . . 578 VAL CG2 . 16613 1 659 . 1 1 56 56 VAL N N 15 124.908 0.2 . 1 . . . . 578 VAL N . 16613 1 660 . 1 1 57 57 ARG H H 1 8.141 0.025 . 1 . . . . 579 ARG H . 16613 1 661 . 1 1 57 57 ARG HA H 1 4.310 0.025 . 1 . . . . 579 ARG HA . 16613 1 662 . 1 1 57 57 ARG HB2 H 1 1.393 0.025 . 2 . . . . 579 ARG HB2 . 16613 1 663 . 1 1 57 57 ARG HB3 H 1 1.266 0.025 . 2 . . . . 579 ARG HB3 . 16613 1 664 . 1 1 57 57 ARG HD2 H 1 3.050 0.025 . 2 . . . . 579 ARG HD2 . 16613 1 665 . 1 1 57 57 ARG HD3 H 1 2.843 0.025 . 2 . . . . 579 ARG HD3 . 16613 1 666 . 1 1 57 57 ARG HG2 H 1 1.280 0.025 . 2 . . . . 579 ARG HG2 . 16613 1 667 . 1 1 57 57 ARG HG3 H 1 1.110 0.025 . 2 . . . . 579 ARG HG3 . 16613 1 668 . 1 1 57 57 ARG CA C 13 55.340 0.2 . 1 . . . . 579 ARG CA . 16613 1 669 . 1 1 57 57 ARG CB C 13 29.402 0.2 . 1 . . . . 579 ARG CB . 16613 1 670 . 1 1 57 57 ARG CD C 13 43.450 0.2 . 1 . . . . 579 ARG CD . 16613 1 671 . 1 1 57 57 ARG CG C 13 28.414 0.2 . 1 . . . . 579 ARG CG . 16613 1 672 . 1 1 57 57 ARG N N 15 124.773 0.2 . 1 . . . . 579 ARG N . 16613 1 673 . 1 1 58 58 PHE H H 1 8.530 0.025 . 1 . . . . 580 PHE H . 16613 1 674 . 1 1 58 58 PHE HA H 1 4.580 0.025 . 1 . . . . 580 PHE HA . 16613 1 675 . 1 1 58 58 PHE HB2 H 1 2.346 0.025 . 2 . . . . 580 PHE HB2 . 16613 1 676 . 1 1 58 58 PHE HB3 H 1 1.470 0.025 . 2 . . . . 580 PHE HB3 . 16613 1 677 . 1 1 58 58 PHE HD1 H 1 7.026 0.025 . 3 . . . . 580 PHE QD . 16613 1 678 . 1 1 58 58 PHE HD2 H 1 7.026 0.025 . 3 . . . . 580 PHE QD . 16613 1 679 . 1 1 58 58 PHE HE1 H 1 6.941 0.025 . 3 . . . . 580 PHE QE . 16613 1 680 . 1 1 58 58 PHE HE2 H 1 6.941 0.025 . 3 . . . . 580 PHE QE . 16613 1 681 . 1 1 58 58 PHE HZ H 1 6.730 0.025 . 1 . . . . 580 PHE HZ . 16613 1 682 . 1 1 58 58 PHE CA C 13 57.686 0.2 . 1 . . . . 580 PHE CA . 16613 1 683 . 1 1 58 58 PHE CB C 13 42.453 0.2 . 1 . . . . 580 PHE CB . 16613 1 684 . 1 1 58 58 PHE CD1 C 13 132.875 0.2 . 3 . . . . 580 PHE CD1 . 16613 1 685 . 1 1 58 58 PHE CE1 C 13 131.304 0.2 . 3 . . . . 580 PHE CE1 . 16613 1 686 . 1 1 58 58 PHE CZ C 13 129.115 0.2 . 1 . . . . 580 PHE CZ . 16613 1 687 . 1 1 58 58 PHE N N 15 124.130 0.2 . 1 . . . . 580 PHE N . 16613 1 688 . 1 1 59 59 PHE H H 1 7.696 0.025 . 1 . . . . 581 PHE H . 16613 1 689 . 1 1 59 59 PHE HA H 1 4.723 0.025 . 1 . . . . 581 PHE HA . 16613 1 690 . 1 1 59 59 PHE HB2 H 1 2.677 0.025 . 2 . . . . 581 PHE HB2 . 16613 1 691 . 1 1 59 59 PHE HB3 H 1 2.492 0.025 . 2 . . . . 581 PHE HB3 . 16613 1 692 . 1 1 59 59 PHE HD1 H 1 7.005 0.025 . 3 . . . . 581 PHE QD . 16613 1 693 . 1 1 59 59 PHE HD2 H 1 7.005 0.025 . 3 . . . . 581 PHE QD . 16613 1 694 . 1 1 59 59 PHE HE1 H 1 7.236 0.025 . 3 . . . . 581 PHE QE . 16613 1 695 . 1 1 59 59 PHE HE2 H 1 7.236 0.025 . 3 . . . . 581 PHE QE . 16613 1 696 . 1 1 59 59 PHE CA C 13 56.658 0.2 . 1 . . . . 581 PHE CA . 16613 1 697 . 1 1 59 59 PHE CB C 13 41.202 0.2 . 1 . . . . 581 PHE CB . 16613 1 698 . 1 1 59 59 PHE CD1 C 13 131.558 0.2 . 3 . . . . 581 PHE CD1 . 16613 1 699 . 1 1 59 59 PHE CE1 C 13 131.454 0.2 . 3 . . . . 581 PHE CE1 . 16613 1 700 . 1 1 59 59 PHE N N 15 119.687 0.2 . 1 . . . . 581 PHE N . 16613 1 701 . 1 1 60 60 PHE H H 1 8.914 0.025 . 1 . . . . 582 PHE H . 16613 1 702 . 1 1 60 60 PHE HA H 1 5.572 0.025 . 1 . . . . 582 PHE HA . 16613 1 703 . 1 1 60 60 PHE HB2 H 1 3.494 0.025 . 2 . . . . 582 PHE HB2 . 16613 1 704 . 1 1 60 60 PHE HB3 H 1 2.892 0.025 . 2 . . . . 582 PHE HB3 . 16613 1 705 . 1 1 60 60 PHE HD1 H 1 7.333 0.025 . 3 . . . . 582 PHE QD . 16613 1 706 . 1 1 60 60 PHE HD2 H 1 7.333 0.025 . 3 . . . . 582 PHE QD . 16613 1 707 . 1 1 60 60 PHE HE1 H 1 6.690 0.025 . 3 . . . . 582 PHE QE . 16613 1 708 . 1 1 60 60 PHE HE2 H 1 6.690 0.025 . 3 . . . . 582 PHE QE . 16613 1 709 . 1 1 60 60 PHE CA C 13 57.968 0.2 . 1 . . . . 582 PHE CA . 16613 1 710 . 1 1 60 60 PHE CB C 13 39.663 0.2 . 1 . . . . 582 PHE CB . 16613 1 711 . 1 1 60 60 PHE CD1 C 13 132.099 0.2 . 3 . . . . 582 PHE CD1 . 16613 1 712 . 1 1 60 60 PHE CE1 C 13 130.466 0.2 . 3 . . . . 582 PHE CE1 . 16613 1 713 . 1 1 60 60 PHE N N 15 127.095 0.2 . 1 . . . . 582 PHE N . 16613 1 714 . 1 1 61 61 TYR H H 1 8.479 0.025 . 1 . . . . 583 TYR H . 16613 1 715 . 1 1 61 61 TYR HA H 1 5.318 0.025 . 1 . . . . 583 TYR HA . 16613 1 716 . 1 1 61 61 TYR HB2 H 1 2.828 0.025 . 2 . . . . 583 TYR HB2 . 16613 1 717 . 1 1 61 61 TYR HB3 H 1 3.261 0.025 . 2 . . . . 583 TYR HB3 . 16613 1 718 . 1 1 61 61 TYR HD1 H 1 7.290 0.025 . 3 . . . . 583 TYR QD . 16613 1 719 . 1 1 61 61 TYR HD2 H 1 7.290 0.025 . 3 . . . . 583 TYR QD . 16613 1 720 . 1 1 61 61 TYR HE1 H 1 6.638 0.025 . 3 . . . . 583 TYR QE . 16613 1 721 . 1 1 61 61 TYR HE2 H 1 6.638 0.025 . 3 . . . . 583 TYR QE . 16613 1 722 . 1 1 61 61 TYR CA C 13 54.861 0.2 . 1 . . . . 583 TYR CA . 16613 1 723 . 1 1 61 61 TYR CB C 13 41.794 0.2 . 1 . . . . 583 TYR CB . 16613 1 724 . 1 1 61 61 TYR CD1 C 13 135.309 0.2 . 3 . . . . 583 TYR CD1 . 16613 1 725 . 1 1 61 61 TYR CE1 C 13 117.441 0.2 . 3 . . . . 583 TYR CE1 . 16613 1 726 . 1 1 61 61 TYR N N 15 119.127 0.2 . 1 . . . . 583 TYR N . 16613 1 727 . 1 1 62 62 THR H H 1 9.470 0.025 . 1 . . . . 584 THR H . 16613 1 728 . 1 1 62 62 THR HA H 1 4.685 0.025 . 1 . . . . 584 THR HA . 16613 1 729 . 1 1 62 62 THR HB H 1 4.889 0.025 . 1 . . . . 584 THR HB . 16613 1 730 . 1 1 62 62 THR HG21 H 1 1.202 0.025 . 1 . . . . 584 THR QG2 . 16613 1 731 . 1 1 62 62 THR HG22 H 1 1.202 0.025 . 1 . . . . 584 THR QG2 . 16613 1 732 . 1 1 62 62 THR HG23 H 1 1.202 0.025 . 1 . . . . 584 THR QG2 . 16613 1 733 . 1 1 62 62 THR CA C 13 60.326 0.2 . 1 . . . . 584 THR CA . 16613 1 734 . 1 1 62 62 THR CB C 13 71.851 0.2 . 1 . . . . 584 THR CB . 16613 1 735 . 1 1 62 62 THR CG2 C 13 21.767 0.2 . 1 . . . . 584 THR CG2 . 16613 1 736 . 1 1 62 62 THR N N 15 113.472 0.2 . 1 . . . . 584 THR N . 16613 1 737 . 1 1 63 63 SER H H 1 9.113 0.025 . 1 . . . . 585 SER H . 16613 1 738 . 1 1 63 63 SER HA H 1 3.533 0.025 . 1 . . . . 585 SER HA . 16613 1 739 . 1 1 63 63 SER HB2 H 1 3.398 0.025 . 2 . . . . 585 SER HB2 . 16613 1 740 . 1 1 63 63 SER HB3 H 1 3.610 0.025 . 2 . . . . 585 SER HB3 . 16613 1 741 . 1 1 63 63 SER CA C 13 59.715 0.2 . 1 . . . . 585 SER CA . 16613 1 742 . 1 1 63 63 SER CB C 13 63.195 0.2 . 1 . . . . 585 SER CB . 16613 1 743 . 1 1 63 63 SER N N 15 114.133 0.2 . 1 . . . . 585 SER N . 16613 1 744 . 1 1 64 64 LYS H H 1 7.500 0.025 . 1 . . . . 586 LYS H . 16613 1 745 . 1 1 64 64 LYS HA H 1 4.089 0.025 . 1 . . . . 586 LYS HA . 16613 1 746 . 1 1 64 64 LYS HB2 H 1 1.790 0.025 . 2 . . . . 586 LYS HB2 . 16613 1 747 . 1 1 64 64 LYS HB3 H 1 1.592 0.025 . 2 . . . . 586 LYS HB3 . 16613 1 748 . 1 1 64 64 LYS HD2 H 1 1.549 0.025 . 2 . . . . 586 LYS QD . 16613 1 749 . 1 1 64 64 LYS HD3 H 1 1.549 0.025 . 2 . . . . 586 LYS QD . 16613 1 750 . 1 1 64 64 LYS HE2 H 1 2.881 0.025 . 2 . . . . 586 LYS QE . 16613 1 751 . 1 1 64 64 LYS HE3 H 1 2.881 0.025 . 2 . . . . 586 LYS QE . 16613 1 752 . 1 1 64 64 LYS HG2 H 1 1.365 0.025 . 2 . . . . 586 LYS HG2 . 16613 1 753 . 1 1 64 64 LYS HG3 H 1 1.324 0.025 . 2 . . . . 586 LYS HG3 . 16613 1 754 . 1 1 64 64 LYS CA C 13 56.281 0.2 . 1 . . . . 586 LYS CA . 16613 1 755 . 1 1 64 64 LYS CB C 13 32.898 0.2 . 1 . . . . 586 LYS CB . 16613 1 756 . 1 1 64 64 LYS CD C 13 29.082 0.2 . 1 . . . . 586 LYS CD . 16613 1 757 . 1 1 64 64 LYS CE C 13 42.231 0.2 . 1 . . . . 586 LYS CE . 16613 1 758 . 1 1 64 64 LYS CG C 13 25.211 0.2 . 1 . . . . 586 LYS CG . 16613 1 759 . 1 1 64 64 LYS N N 15 118.220 0.2 . 1 . . . . 586 LYS N . 16613 1 760 . 1 1 65 65 GLU H H 1 7.222 0.025 . 1 . . . . 587 GLU H . 16613 1 761 . 1 1 65 65 GLU HA H 1 4.609 0.025 . 1 . . . . 587 GLU HA . 16613 1 762 . 1 1 65 65 GLU HB2 H 1 2.074 0.025 . 2 . . . . 587 GLU QB . 16613 1 763 . 1 1 65 65 GLU HB3 H 1 2.074 0.025 . 2 . . . . 587 GLU QB . 16613 1 764 . 1 1 65 65 GLU HG2 H 1 2.480 0.025 . 2 . . . . 587 GLU HG2 . 16613 1 765 . 1 1 65 65 GLU HG3 H 1 2.354 0.025 . 2 . . . . 587 GLU HG3 . 16613 1 766 . 1 1 65 65 GLU CA C 13 53.724 0.2 . 1 . . . . 587 GLU CA . 16613 1 767 . 1 1 65 65 GLU CB C 13 30.723 0.2 . 1 . . . . 587 GLU CB . 16613 1 768 . 1 1 65 65 GLU CG C 13 36.171 0.2 . 1 . . . . 587 GLU CG . 16613 1 769 . 1 1 65 65 GLU N N 15 124.874 0.2 . 1 . . . . 587 GLU N . 16613 1 770 . 1 1 66 66 PRO HA H 1 4.526 0.025 . 1 . . . . 588 PRO HA . 16613 1 771 . 1 1 66 66 PRO HB2 H 1 2.492 0.025 . 2 . . . . 588 PRO HB2 . 16613 1 772 . 1 1 66 66 PRO HB3 H 1 1.846 0.025 . 2 . . . . 588 PRO HB3 . 16613 1 773 . 1 1 66 66 PRO HD2 H 1 4.134 0.025 . 2 . . . . 588 PRO HD2 . 16613 1 774 . 1 1 66 66 PRO HD3 H 1 3.640 0.025 . 2 . . . . 588 PRO HD3 . 16613 1 775 . 1 1 66 66 PRO HG2 H 1 2.140 0.025 . 2 . . . . 588 PRO HG2 . 16613 1 776 . 1 1 66 66 PRO HG3 H 1 2.036 0.025 . 2 . . . . 588 PRO HG3 . 16613 1 777 . 1 1 66 66 PRO CA C 13 62.950 0.2 . 1 . . . . 588 PRO CA . 16613 1 778 . 1 1 66 66 PRO CB C 13 32.660 0.2 . 1 . . . . 588 PRO CB . 16613 1 779 . 1 1 66 66 PRO CD C 13 51.100 0.2 . 1 . . . . 588 PRO CD . 16613 1 780 . 1 1 66 66 PRO CG C 13 28.150 0.2 . 1 . . . . 588 PRO CG . 16613 1 781 . 1 1 67 67 VAL H H 1 8.600 0.025 . 1 . . . . 589 VAL H . 16613 1 782 . 1 1 67 67 VAL HA H 1 3.150 0.025 . 1 . . . . 589 VAL HA . 16613 1 783 . 1 1 67 67 VAL HB H 1 1.832 0.025 . 1 . . . . 589 VAL HB . 16613 1 784 . 1 1 67 67 VAL HG11 H 1 0.574 0.025 . 2 . . . . 589 VAL QG1 . 16613 1 785 . 1 1 67 67 VAL HG12 H 1 0.574 0.025 . 2 . . . . 589 VAL QG1 . 16613 1 786 . 1 1 67 67 VAL HG13 H 1 0.574 0.025 . 2 . . . . 589 VAL QG1 . 16613 1 787 . 1 1 67 67 VAL HG21 H 1 0.453 0.025 . 2 . . . . 589 VAL QG2 . 16613 1 788 . 1 1 67 67 VAL HG22 H 1 0.453 0.025 . 2 . . . . 589 VAL QG2 . 16613 1 789 . 1 1 67 67 VAL HG23 H 1 0.453 0.025 . 2 . . . . 589 VAL QG2 . 16613 1 790 . 1 1 67 67 VAL CA C 13 66.970 0.2 . 1 . . . . 589 VAL CA . 16613 1 791 . 1 1 67 67 VAL CB C 13 31.325 0.2 . 1 . . . . 589 VAL CB . 16613 1 792 . 1 1 67 67 VAL CG1 C 13 21.880 0.2 . 2 . . . . 589 VAL CG1 . 16613 1 793 . 1 1 67 67 VAL CG2 C 13 22.072 0.2 . 2 . . . . 589 VAL CG2 . 16613 1 794 . 1 1 67 67 VAL N N 15 123.210 0.2 . 1 . . . . 589 VAL N . 16613 1 795 . 1 1 68 68 ALA H H 1 8.750 0.025 . 1 . . . . 590 ALA H . 16613 1 796 . 1 1 68 68 ALA HA H 1 3.970 0.025 . 1 . . . . 590 ALA HA . 16613 1 797 . 1 1 68 68 ALA HB1 H 1 1.334 0.025 . 1 . . . . 590 ALA QB . 16613 1 798 . 1 1 68 68 ALA HB2 H 1 1.334 0.025 . 1 . . . . 590 ALA QB . 16613 1 799 . 1 1 68 68 ALA HB3 H 1 1.334 0.025 . 1 . . . . 590 ALA QB . 16613 1 800 . 1 1 68 68 ALA CA C 13 55.240 0.2 . 1 . . . . 590 ALA CA . 16613 1 801 . 1 1 68 68 ALA CB C 13 18.490 0.2 . 1 . . . . 590 ALA CB . 16613 1 802 . 1 1 68 68 ALA N N 15 118.820 0.2 . 1 . . . . 590 ALA N . 16613 1 803 . 1 1 69 69 SER H H 1 6.980 0.025 . 1 . . . . 591 SER H . 16613 1 804 . 1 1 69 69 SER HA H 1 4.211 0.025 . 1 . . . . 591 SER HA . 16613 1 805 . 1 1 69 69 SER HB2 H 1 3.918 0.025 . 2 . . . . 591 SER HB2 . 16613 1 806 . 1 1 69 69 SER HB3 H 1 4.299 0.025 . 2 . . . . 591 SER HB3 . 16613 1 807 . 1 1 69 69 SER CA C 13 60.380 0.2 . 1 . . . . 591 SER CA . 16613 1 808 . 1 1 69 69 SER CB C 13 62.520 0.2 . 1 . . . . 591 SER CB . 16613 1 809 . 1 1 69 69 SER N N 15 111.440 0.2 . 1 . . . . 591 SER N . 16613 1 810 . 1 1 70 70 ILE H H 1 7.420 0.025 . 1 . . . . 592 ILE H . 16613 1 811 . 1 1 70 70 ILE HA H 1 3.377 0.025 . 1 . . . . 592 ILE HA . 16613 1 812 . 1 1 70 70 ILE HB H 1 1.506 0.025 . 1 . . . . 592 ILE HB . 16613 1 813 . 1 1 70 70 ILE HD11 H 1 0.454 0.025 . 1 . . . . 592 ILE QD1 . 16613 1 814 . 1 1 70 70 ILE HD12 H 1 0.454 0.025 . 1 . . . . 592 ILE QD1 . 16613 1 815 . 1 1 70 70 ILE HD13 H 1 0.454 0.025 . 1 . . . . 592 ILE QD1 . 16613 1 816 . 1 1 70 70 ILE HG12 H 1 1.511 0.025 . 2 . . . . 592 ILE HG12 . 16613 1 817 . 1 1 70 70 ILE HG13 H 1 0.661 0.025 . 2 . . . . 592 ILE HG13 . 16613 1 818 . 1 1 70 70 ILE HG21 H 1 0.292 0.025 . 1 . . . . 592 ILE QG2 . 16613 1 819 . 1 1 70 70 ILE HG22 H 1 0.292 0.025 . 1 . . . . 592 ILE QG2 . 16613 1 820 . 1 1 70 70 ILE HG23 H 1 0.292 0.025 . 1 . . . . 592 ILE QG2 . 16613 1 821 . 1 1 70 70 ILE CA C 13 65.700 0.2 . 1 . . . . 592 ILE CA . 16613 1 822 . 1 1 70 70 ILE CB C 13 38.786 0.2 . 1 . . . . 592 ILE CB . 16613 1 823 . 1 1 70 70 ILE CD1 C 13 15.830 0.2 . 1 . . . . 592 ILE CD1 . 16613 1 824 . 1 1 70 70 ILE CG1 C 13 28.745 0.2 . 1 . . . . 592 ILE CG1 . 16613 1 825 . 1 1 70 70 ILE CG2 C 13 17.158 0.2 . 1 . . . . 592 ILE CG2 . 16613 1 826 . 1 1 70 70 ILE N N 15 122.430 0.2 . 1 . . . . 592 ILE N . 16613 1 827 . 1 1 71 71 ILE H H 1 8.350 0.025 . 1 . . . . 593 ILE H . 16613 1 828 . 1 1 71 71 ILE HA H 1 3.264 0.025 . 1 . . . . 593 ILE HA . 16613 1 829 . 1 1 71 71 ILE HB H 1 1.727 0.025 . 1 . . . . 593 ILE HB . 16613 1 830 . 1 1 71 71 ILE HD11 H 1 0.539 0.025 . 1 . . . . 593 ILE QD1 . 16613 1 831 . 1 1 71 71 ILE HD12 H 1 0.539 0.025 . 1 . . . . 593 ILE QD1 . 16613 1 832 . 1 1 71 71 ILE HD13 H 1 0.539 0.025 . 1 . . . . 593 ILE QD1 . 16613 1 833 . 1 1 71 71 ILE HG12 H 1 1.421 0.025 . 2 . . . . 593 ILE HG12 . 16613 1 834 . 1 1 71 71 ILE HG13 H 1 0.904 0.025 . 2 . . . . 593 ILE HG13 . 16613 1 835 . 1 1 71 71 ILE HG21 H 1 0.641 0.025 . 1 . . . . 593 ILE QG2 . 16613 1 836 . 1 1 71 71 ILE HG22 H 1 0.641 0.025 . 1 . . . . 593 ILE QG2 . 16613 1 837 . 1 1 71 71 ILE HG23 H 1 0.641 0.025 . 1 . . . . 593 ILE QG2 . 16613 1 838 . 1 1 71 71 ILE CA C 13 65.380 0.2 . 1 . . . . 593 ILE CA . 16613 1 839 . 1 1 71 71 ILE CB C 13 37.034 0.2 . 1 . . . . 593 ILE CB . 16613 1 840 . 1 1 71 71 ILE CD1 C 13 12.792 0.2 . 1 . . . . 593 ILE CD1 . 16613 1 841 . 1 1 71 71 ILE CG1 C 13 30.266 0.2 . 1 . . . . 593 ILE CG1 . 16613 1 842 . 1 1 71 71 ILE CG2 C 13 16.940 0.2 . 1 . . . . 593 ILE CG2 . 16613 1 843 . 1 1 71 71 ILE N N 15 117.730 0.2 . 1 . . . . 593 ILE N . 16613 1 844 . 1 1 72 72 THR H H 1 7.860 0.025 . 1 . . . . 594 THR H . 16613 1 845 . 1 1 72 72 THR HA H 1 3.860 0.025 . 1 . . . . 594 THR HA . 16613 1 846 . 1 1 72 72 THR HB H 1 4.324 0.025 . 1 . . . . 594 THR HB . 16613 1 847 . 1 1 72 72 THR HG21 H 1 1.196 0.025 . 1 . . . . 594 THR QG2 . 16613 1 848 . 1 1 72 72 THR HG22 H 1 1.196 0.025 . 1 . . . . 594 THR QG2 . 16613 1 849 . 1 1 72 72 THR HG23 H 1 1.196 0.025 . 1 . . . . 594 THR QG2 . 16613 1 850 . 1 1 72 72 THR CA C 13 67.730 0.2 . 1 . . . . 594 THR CA . 16613 1 851 . 1 1 72 72 THR CB C 13 68.750 0.2 . 1 . . . . 594 THR CB . 16613 1 852 . 1 1 72 72 THR CG2 C 13 21.708 0.2 . 1 . . . . 594 THR CG2 . 16613 1 853 . 1 1 72 72 THR N N 15 117.197 0.2 . 1 . . . . 594 THR N . 16613 1 854 . 1 1 73 73 LYS H H 1 7.830 0.025 . 1 . . . . 595 LYS H . 16613 1 855 . 1 1 73 73 LYS HA H 1 3.950 0.025 . 1 . . . . 595 LYS HA . 16613 1 856 . 1 1 73 73 LYS HB2 H 1 1.999 0.025 . 2 . . . . 595 LYS HB2 . 16613 1 857 . 1 1 73 73 LYS HB3 H 1 1.731 0.025 . 2 . . . . 595 LYS HB3 . 16613 1 858 . 1 1 73 73 LYS HD2 H 1 1.832 0.025 . 2 . . . . 595 LYS HD2 . 16613 1 859 . 1 1 73 73 LYS HD3 H 1 1.770 0.025 . 2 . . . . 595 LYS HD3 . 16613 1 860 . 1 1 73 73 LYS HE2 H 1 2.987 0.025 . 2 . . . . 595 LYS HE2 . 16613 1 861 . 1 1 73 73 LYS HE3 H 1 2.795 0.025 . 2 . . . . 595 LYS HE3 . 16613 1 862 . 1 1 73 73 LYS HG2 H 1 1.615 0.025 . 2 . . . . 595 LYS HG2 . 16613 1 863 . 1 1 73 73 LYS HG3 H 1 1.441 0.025 . 2 . . . . 595 LYS HG3 . 16613 1 864 . 1 1 73 73 LYS CA C 13 60.220 0.2 . 1 . . . . 595 LYS CA . 16613 1 865 . 1 1 73 73 LYS CB C 13 32.796 0.2 . 1 . . . . 595 LYS CB . 16613 1 866 . 1 1 73 73 LYS CD C 13 30.490 0.2 . 1 . . . . 595 LYS CD . 16613 1 867 . 1 1 73 73 LYS CE C 13 42.260 0.2 . 1 . . . . 595 LYS CE . 16613 1 868 . 1 1 73 73 LYS CG C 13 26.647 0.2 . 1 . . . . 595 LYS CG . 16613 1 869 . 1 1 73 73 LYS N N 15 122.570 0.2 . 1 . . . . 595 LYS N . 16613 1 870 . 1 1 74 74 LEU H H 1 8.120 0.025 . 1 . . . . 596 LEU H . 16613 1 871 . 1 1 74 74 LEU HA H 1 3.688 0.025 . 1 . . . . 596 LEU HA . 16613 1 872 . 1 1 74 74 LEU HB2 H 1 0.921 0.025 . 2 . . . . 596 LEU HB2 . 16613 1 873 . 1 1 74 74 LEU HB3 H 1 1.661 0.025 . 2 . . . . 596 LEU HB3 . 16613 1 874 . 1 1 74 74 LEU HD11 H 1 0.429 0.025 . 2 . . . . 596 LEU QD1 . 16613 1 875 . 1 1 74 74 LEU HD12 H 1 0.429 0.025 . 2 . . . . 596 LEU QD1 . 16613 1 876 . 1 1 74 74 LEU HD13 H 1 0.429 0.025 . 2 . . . . 596 LEU QD1 . 16613 1 877 . 1 1 74 74 LEU HD21 H 1 -0.045 0.025 . 2 . . . . 596 LEU QD2 . 16613 1 878 . 1 1 74 74 LEU HD22 H 1 -0.045 0.025 . 2 . . . . 596 LEU QD2 . 16613 1 879 . 1 1 74 74 LEU HD23 H 1 -0.045 0.025 . 2 . . . . 596 LEU QD2 . 16613 1 880 . 1 1 74 74 LEU HG H 1 1.397 0.025 . 1 . . . . 596 LEU HG . 16613 1 881 . 1 1 74 74 LEU CA C 13 57.580 0.2 . 1 . . . . 596 LEU CA . 16613 1 882 . 1 1 74 74 LEU CB C 13 41.410 0.2 . 1 . . . . 596 LEU CB . 16613 1 883 . 1 1 74 74 LEU CD1 C 13 26.194 0.2 . 2 . . . . 596 LEU CD1 . 16613 1 884 . 1 1 74 74 LEU CD2 C 13 21.310 0.2 . 2 . . . . 596 LEU CD2 . 16613 1 885 . 1 1 74 74 LEU CG C 13 26.177 0.2 . 1 . . . . 596 LEU CG . 16613 1 886 . 1 1 74 74 LEU N N 15 119.680 0.2 . 1 . . . . 596 LEU N . 16613 1 887 . 1 1 75 75 ASN H H 1 8.984 0.025 . 1 . . . . 597 ASN H . 16613 1 888 . 1 1 75 75 ASN HA H 1 4.485 0.025 . 1 . . . . 597 ASN HA . 16613 1 889 . 1 1 75 75 ASN HB2 H 1 2.671 0.025 . 2 . . . . 597 ASN HB2 . 16613 1 890 . 1 1 75 75 ASN HB3 H 1 3.039 0.025 . 2 . . . . 597 ASN HB3 . 16613 1 891 . 1 1 75 75 ASN HD21 H 1 7.058 0.025 . 2 . . . . 597 ASN HD21 . 16613 1 892 . 1 1 75 75 ASN HD22 H 1 7.732 0.025 . 2 . . . . 597 ASN HD22 . 16613 1 893 . 1 1 75 75 ASN CA C 13 55.032 0.2 . 1 . . . . 597 ASN CA . 16613 1 894 . 1 1 75 75 ASN CB C 13 37.500 0.2 . 1 . . . . 597 ASN CB . 16613 1 895 . 1 1 75 75 ASN N N 15 121.158 0.2 . 1 . . . . 597 ASN N . 16613 1 896 . 1 1 75 75 ASN ND2 N 15 109.108 0.2 . 1 . . . . 597 ASN ND2 . 16613 1 897 . 1 1 76 76 SER H H 1 7.950 0.025 . 1 . . . . 598 SER H . 16613 1 898 . 1 1 76 76 SER HA H 1 4.150 0.025 . 1 . . . . 598 SER HA . 16613 1 899 . 1 1 76 76 SER HB2 H 1 3.911 0.025 . 2 . . . . 598 SER HB2 . 16613 1 900 . 1 1 76 76 SER HB3 H 1 3.954 0.025 . 2 . . . . 598 SER HB3 . 16613 1 901 . 1 1 76 76 SER CA C 13 61.290 0.2 . 1 . . . . 598 SER CA . 16613 1 902 . 1 1 76 76 SER CB C 13 62.948 0.2 . 1 . . . . 598 SER CB . 16613 1 903 . 1 1 76 76 SER N N 15 116.710 0.2 . 1 . . . . 598 SER N . 16613 1 904 . 1 1 77 77 LEU H H 1 7.560 0.025 . 1 . . . . 599 LEU H . 16613 1 905 . 1 1 77 77 LEU HA H 1 3.987 0.025 . 1 . . . . 599 LEU HA . 16613 1 906 . 1 1 77 77 LEU HB2 H 1 1.789 0.025 . 2 . . . . 599 LEU HB2 . 16613 1 907 . 1 1 77 77 LEU HB3 H 1 1.361 0.025 . 2 . . . . 599 LEU HB3 . 16613 1 908 . 1 1 77 77 LEU HD11 H 1 0.660 0.025 . 2 . . . . 599 LEU QD1 . 16613 1 909 . 1 1 77 77 LEU HD12 H 1 0.660 0.025 . 2 . . . . 599 LEU QD1 . 16613 1 910 . 1 1 77 77 LEU HD13 H 1 0.660 0.025 . 2 . . . . 599 LEU QD1 . 16613 1 911 . 1 1 77 77 LEU HD21 H 1 0.836 0.025 . 2 . . . . 599 LEU QD2 . 16613 1 912 . 1 1 77 77 LEU HD22 H 1 0.836 0.025 . 2 . . . . 599 LEU QD2 . 16613 1 913 . 1 1 77 77 LEU HD23 H 1 0.836 0.025 . 2 . . . . 599 LEU QD2 . 16613 1 914 . 1 1 77 77 LEU HG H 1 1.673 0.025 . 1 . . . . 599 LEU HG . 16613 1 915 . 1 1 77 77 LEU CA C 13 57.510 0.2 . 1 . . . . 599 LEU CA . 16613 1 916 . 1 1 77 77 LEU CB C 13 42.164 0.2 . 1 . . . . 599 LEU CB . 16613 1 917 . 1 1 77 77 LEU CD1 C 13 26.276 0.2 . 2 . . . . 599 LEU CD1 . 16613 1 918 . 1 1 77 77 LEU CD2 C 13 23.109 0.2 . 2 . . . . 599 LEU CD2 . 16613 1 919 . 1 1 77 77 LEU CG C 13 27.239 0.2 . 1 . . . . 599 LEU CG . 16613 1 920 . 1 1 77 77 LEU N N 15 121.270 0.2 . 1 . . . . 599 LEU N . 16613 1 921 . 1 1 78 78 ASN H H 1 7.775 0.025 . 1 . . . . 600 ASN H . 16613 1 922 . 1 1 78 78 ASN HA H 1 4.130 0.025 . 1 . . . . 600 ASN HA . 16613 1 923 . 1 1 78 78 ASN HB2 H 1 2.302 0.025 . 2 . . . . 600 ASN HB2 . 16613 1 924 . 1 1 78 78 ASN HB3 H 1 3.123 0.025 . 2 . . . . 600 ASN HB3 . 16613 1 925 . 1 1 78 78 ASN HD21 H 1 7.431 0.025 . 2 . . . . 600 ASN HD21 . 16613 1 926 . 1 1 78 78 ASN HD22 H 1 6.472 0.025 . 2 . . . . 600 ASN HD22 . 16613 1 927 . 1 1 78 78 ASN CA C 13 53.910 0.2 . 1 . . . . 600 ASN CA . 16613 1 928 . 1 1 78 78 ASN CB C 13 38.061 0.2 . 1 . . . . 600 ASN CB . 16613 1 929 . 1 1 78 78 ASN N N 15 113.290 0.2 . 1 . . . . 600 ASN N . 16613 1 930 . 1 1 78 78 ASN ND2 N 15 109.445 0.2 . 1 . . . . 600 ASN ND2 . 16613 1 931 . 1 1 79 79 GLU H H 1 8.410 0.025 . 1 . . . . 601 GLU H . 16613 1 932 . 1 1 79 79 GLU HA H 1 4.519 0.025 . 1 . . . . 601 GLU HA . 16613 1 933 . 1 1 79 79 GLU HB2 H 1 1.988 0.025 . 2 . . . . 601 GLU HB2 . 16613 1 934 . 1 1 79 79 GLU HB3 H 1 1.703 0.025 . 2 . . . . 601 GLU HB3 . 16613 1 935 . 1 1 79 79 GLU HG2 H 1 2.057 0.025 . 2 . . . . 601 GLU HG2 . 16613 1 936 . 1 1 79 79 GLU HG3 H 1 2.000 0.025 . 2 . . . . 601 GLU HG3 . 16613 1 937 . 1 1 79 79 GLU CA C 13 54.594 0.2 . 1 . . . . 601 GLU CA . 16613 1 938 . 1 1 79 79 GLU CB C 13 31.004 0.2 . 1 . . . . 601 GLU CB . 16613 1 939 . 1 1 79 79 GLU CG C 13 36.760 0.2 . 1 . . . . 601 GLU CG . 16613 1 940 . 1 1 79 79 GLU N N 15 118.750 0.2 . 1 . . . . 601 GLU N . 16613 1 941 . 1 1 80 80 PRO HA H 1 4.770 0.025 . 1 . . . . 602 PRO HA . 16613 1 942 . 1 1 80 80 PRO HB2 H 1 2.179 0.025 . 2 . . . . 602 PRO HB2 . 16613 1 943 . 1 1 80 80 PRO HB3 H 1 1.780 0.025 . 2 . . . . 602 PRO HB3 . 16613 1 944 . 1 1 80 80 PRO HD2 H 1 3.774 0.025 . 2 . . . . 602 PRO HD2 . 16613 1 945 . 1 1 80 80 PRO HD3 H 1 3.706 0.025 . 2 . . . . 602 PRO HD3 . 16613 1 946 . 1 1 80 80 PRO HG2 H 1 2.107 0.025 . 2 . . . . 602 PRO HG2 . 16613 1 947 . 1 1 80 80 PRO HG3 H 1 1.888 0.025 . 2 . . . . 602 PRO HG3 . 16613 1 948 . 1 1 80 80 PRO CA C 13 62.489 0.2 . 1 . . . . 602 PRO CA . 16613 1 949 . 1 1 80 80 PRO CB C 13 32.496 0.2 . 1 . . . . 602 PRO CB . 16613 1 950 . 1 1 80 80 PRO CD C 13 50.224 0.2 . 1 . . . . 602 PRO CD . 16613 1 951 . 1 1 80 80 PRO CG C 13 28.156 0.2 . 1 . . . . 602 PRO CG . 16613 1 952 . 1 1 81 81 LEU H H 1 8.570 0.025 . 1 . . . . 603 LEU H . 16613 1 953 . 1 1 81 81 LEU HA H 1 5.777 0.025 . 1 . . . . 603 LEU HA . 16613 1 954 . 1 1 81 81 LEU HB2 H 1 1.577 0.025 . 2 . . . . 603 LEU HB2 . 16613 1 955 . 1 1 81 81 LEU HB3 H 1 1.232 0.025 . 2 . . . . 603 LEU HB3 . 16613 1 956 . 1 1 81 81 LEU HD11 H 1 0.770 0.025 . 2 . . . . 603 LEU QD1 . 16613 1 957 . 1 1 81 81 LEU HD12 H 1 0.770 0.025 . 2 . . . . 603 LEU QD1 . 16613 1 958 . 1 1 81 81 LEU HD13 H 1 0.770 0.025 . 2 . . . . 603 LEU QD1 . 16613 1 959 . 1 1 81 81 LEU HD21 H 1 0.726 0.025 . 2 . . . . 603 LEU QD2 . 16613 1 960 . 1 1 81 81 LEU HD22 H 1 0.726 0.025 . 2 . . . . 603 LEU QD2 . 16613 1 961 . 1 1 81 81 LEU HD23 H 1 0.726 0.025 . 2 . . . . 603 LEU QD2 . 16613 1 962 . 1 1 81 81 LEU HG H 1 2.006 0.025 . 1 . . . . 603 LEU HG . 16613 1 963 . 1 1 81 81 LEU CA C 13 53.720 0.2 . 1 . . . . 603 LEU CA . 16613 1 964 . 1 1 81 81 LEU CB C 13 48.307 0.2 . 1 . . . . 603 LEU CB . 16613 1 965 . 1 1 81 81 LEU CD1 C 13 26.888 0.2 . 2 . . . . 603 LEU CD1 . 16613 1 966 . 1 1 81 81 LEU CD2 C 13 28.794 0.2 . 2 . . . . 603 LEU CD2 . 16613 1 967 . 1 1 81 81 LEU CG C 13 26.117 0.2 . 1 . . . . 603 LEU CG . 16613 1 968 . 1 1 81 81 LEU N N 15 118.360 0.2 . 1 . . . . 603 LEU N . 16613 1 969 . 1 1 82 82 VAL H H 1 8.360 0.025 . 1 . . . . 604 VAL H . 16613 1 970 . 1 1 82 82 VAL HA H 1 5.119 0.025 . 1 . . . . 604 VAL HA . 16613 1 971 . 1 1 82 82 VAL HB H 1 1.991 0.025 . 1 . . . . 604 VAL HB . 16613 1 972 . 1 1 82 82 VAL HG11 H 1 1.028 0.025 . 2 . . . . 604 VAL QG1 . 16613 1 973 . 1 1 82 82 VAL HG12 H 1 1.028 0.025 . 2 . . . . 604 VAL QG1 . 16613 1 974 . 1 1 82 82 VAL HG13 H 1 1.028 0.025 . 2 . . . . 604 VAL QG1 . 16613 1 975 . 1 1 82 82 VAL HG21 H 1 1.085 0.025 . 2 . . . . 604 VAL QG2 . 16613 1 976 . 1 1 82 82 VAL HG22 H 1 1.085 0.025 . 2 . . . . 604 VAL QG2 . 16613 1 977 . 1 1 82 82 VAL HG23 H 1 1.085 0.025 . 2 . . . . 604 VAL QG2 . 16613 1 978 . 1 1 82 82 VAL CA C 13 59.900 0.2 . 1 . . . . 604 VAL CA . 16613 1 979 . 1 1 82 82 VAL CB C 13 34.493 0.2 . 1 . . . . 604 VAL CB . 16613 1 980 . 1 1 82 82 VAL CG1 C 13 22.334 0.2 . 2 . . . . 604 VAL CG1 . 16613 1 981 . 1 1 82 82 VAL CG2 C 13 19.815 0.2 . 2 . . . . 604 VAL CG2 . 16613 1 982 . 1 1 82 82 VAL N N 15 121.440 0.2 . 1 . . . . 604 VAL N . 16613 1 983 . 1 1 83 83 THR H H 1 8.600 0.025 . 1 . . . . 605 THR H . 16613 1 984 . 1 1 83 83 THR HA H 1 5.120 0.025 . 1 . . . . 605 THR HA . 16613 1 985 . 1 1 83 83 THR HB H 1 3.521 0.025 . 1 . . . . 605 THR HB . 16613 1 986 . 1 1 83 83 THR HG21 H 1 0.821 0.025 . 1 . . . . 605 THR QG2 . 16613 1 987 . 1 1 83 83 THR HG22 H 1 0.821 0.025 . 1 . . . . 605 THR QG2 . 16613 1 988 . 1 1 83 83 THR HG23 H 1 0.821 0.025 . 1 . . . . 605 THR QG2 . 16613 1 989 . 1 1 83 83 THR CA C 13 59.950 0.2 . 1 . . . . 605 THR CA . 16613 1 990 . 1 1 83 83 THR CB C 13 71.736 0.2 . 1 . . . . 605 THR CB . 16613 1 991 . 1 1 83 83 THR CG2 C 13 20.139 0.2 . 1 . . . . 605 THR CG2 . 16613 1 992 . 1 1 83 83 THR N N 15 117.700 0.2 . 1 . . . . 605 THR N . 16613 1 993 . 1 1 84 84 MET H H 1 8.320 0.025 . 1 . . . . 606 MET H . 16613 1 994 . 1 1 84 84 MET HA H 1 5.330 0.025 . 1 . . . . 606 MET HA . 16613 1 995 . 1 1 84 84 MET HB2 H 1 2.233 0.025 . 2 . . . . 606 MET HB2 . 16613 1 996 . 1 1 84 84 MET HB3 H 1 1.921 0.025 . 2 . . . . 606 MET HB3 . 16613 1 997 . 1 1 84 84 MET HE1 H 1 2.181 0.025 . 1 . . . . 606 MET QE . 16613 1 998 . 1 1 84 84 MET HE2 H 1 2.181 0.025 . 1 . . . . 606 MET QE . 16613 1 999 . 1 1 84 84 MET HE3 H 1 2.181 0.025 . 1 . . . . 606 MET QE . 16613 1 1000 . 1 1 84 84 MET HG2 H 1 2.892 0.025 . 2 . . . . 606 MET HG2 . 16613 1 1001 . 1 1 84 84 MET HG3 H 1 2.561 0.025 . 2 . . . . 606 MET HG3 . 16613 1 1002 . 1 1 84 84 MET CA C 13 55.850 0.2 . 1 . . . . 606 MET CA . 16613 1 1003 . 1 1 84 84 MET CB C 13 31.869 0.2 . 1 . . . . 606 MET CB . 16613 1 1004 . 1 1 84 84 MET CE C 13 17.813 0.2 . 1 . . . . 606 MET CE . 16613 1 1005 . 1 1 84 84 MET CG C 13 33.575 0.2 . 1 . . . . 606 MET CG . 16613 1 1006 . 1 1 84 84 MET N N 15 125.443 0.2 . 1 . . . . 606 MET N . 16613 1 1007 . 1 1 85 85 PRO HA H 1 4.060 0.025 . 1 . . . . 607 PRO HA . 16613 1 1008 . 1 1 85 85 PRO HB2 H 1 2.014 0.025 . 2 . . . . 607 PRO HB2 . 16613 1 1009 . 1 1 85 85 PRO HB3 H 1 1.776 0.025 . 2 . . . . 607 PRO HB3 . 16613 1 1010 . 1 1 85 85 PRO HD2 H 1 3.995 0.025 . 2 . . . . 607 PRO HD2 . 16613 1 1011 . 1 1 85 85 PRO HD3 H 1 3.367 0.025 . 2 . . . . 607 PRO HD3 . 16613 1 1012 . 1 1 85 85 PRO HG2 H 1 1.637 0.025 . 2 . . . . 607 PRO HG2 . 16613 1 1013 . 1 1 85 85 PRO HG3 H 1 1.499 0.025 . 2 . . . . 607 PRO HG3 . 16613 1 1014 . 1 1 85 85 PRO CA C 13 63.862 0.2 . 1 . . . . 607 PRO CA . 16613 1 1015 . 1 1 85 85 PRO CB C 13 31.590 0.2 . 1 . . . . 607 PRO CB . 16613 1 1016 . 1 1 85 85 PRO CD C 13 49.711 0.2 . 1 . . . . 607 PRO CD . 16613 1 1017 . 1 1 85 85 PRO CG C 13 28.596 0.2 . 1 . . . . 607 PRO CG . 16613 1 1018 . 1 1 86 86 ILE H H 1 8.350 0.025 . 1 . . . . 608 ILE H . 16613 1 1019 . 1 1 86 86 ILE HA H 1 3.429 0.025 . 1 . . . . 608 ILE HA . 16613 1 1020 . 1 1 86 86 ILE HB H 1 1.668 0.025 . 1 . . . . 608 ILE HB . 16613 1 1021 . 1 1 86 86 ILE HD11 H 1 0.588 0.025 . 1 . . . . 608 ILE QD1 . 16613 1 1022 . 1 1 86 86 ILE HD12 H 1 0.588 0.025 . 1 . . . . 608 ILE QD1 . 16613 1 1023 . 1 1 86 86 ILE HD13 H 1 0.588 0.025 . 1 . . . . 608 ILE QD1 . 16613 1 1024 . 1 1 86 86 ILE HG12 H 1 1.503 0.025 . 2 . . . . 608 ILE HG12 . 16613 1 1025 . 1 1 86 86 ILE HG13 H 1 1.161 0.025 . 2 . . . . 608 ILE HG13 . 16613 1 1026 . 1 1 86 86 ILE HG21 H 1 0.425 0.025 . 1 . . . . 608 ILE QG2 . 16613 1 1027 . 1 1 86 86 ILE HG22 H 1 0.425 0.025 . 1 . . . . 608 ILE QG2 . 16613 1 1028 . 1 1 86 86 ILE HG23 H 1 0.425 0.025 . 1 . . . . 608 ILE QG2 . 16613 1 1029 . 1 1 86 86 ILE CA C 13 63.815 0.2 . 1 . . . . 608 ILE CA . 16613 1 1030 . 1 1 86 86 ILE CB C 13 36.165 0.2 . 1 . . . . 608 ILE CB . 16613 1 1031 . 1 1 86 86 ILE CD1 C 13 11.464 0.2 . 1 . . . . 608 ILE CD1 . 16613 1 1032 . 1 1 86 86 ILE CG1 C 13 28.340 0.2 . 1 . . . . 608 ILE CG1 . 16613 1 1033 . 1 1 86 86 ILE CG2 C 13 17.334 0.2 . 1 . . . . 608 ILE CG2 . 16613 1 1034 . 1 1 86 86 ILE N N 15 133.090 0.2 . 1 . . . . 608 ILE N . 16613 1 1035 . 1 1 87 87 GLY H H 1 8.570 0.025 . 1 . . . . 609 GLY H . 16613 1 1036 . 1 1 87 87 GLY HA2 H 1 3.458 0.025 . 2 . . . . 609 GLY HA2 . 16613 1 1037 . 1 1 87 87 GLY HA3 H 1 4.110 0.025 . 2 . . . . 609 GLY HA3 . 16613 1 1038 . 1 1 87 87 GLY CA C 13 44.969 0.2 . 1 . . . . 609 GLY CA . 16613 1 1039 . 1 1 87 87 GLY N N 15 111.613 0.2 . 1 . . . . 609 GLY N . 16613 1 1040 . 1 1 88 88 TYR H H 1 7.250 0.025 . 1 . . . . 610 TYR H . 16613 1 1041 . 1 1 88 88 TYR HA H 1 4.423 0.025 . 1 . . . . 610 TYR HA . 16613 1 1042 . 1 1 88 88 TYR HB2 H 1 3.020 0.025 . 2 . . . . 610 TYR HB2 . 16613 1 1043 . 1 1 88 88 TYR HB3 H 1 2.728 0.025 . 2 . . . . 610 TYR HB3 . 16613 1 1044 . 1 1 88 88 TYR HD1 H 1 7.051 0.025 . 3 . . . . 610 TYR QD . 16613 1 1045 . 1 1 88 88 TYR HD2 H 1 7.051 0.025 . 3 . . . . 610 TYR QD . 16613 1 1046 . 1 1 88 88 TYR HE1 H 1 6.898 0.025 . 3 . . . . 610 TYR QE . 16613 1 1047 . 1 1 88 88 TYR HE2 H 1 6.898 0.025 . 3 . . . . 610 TYR QE . 16613 1 1048 . 1 1 88 88 TYR CA C 13 58.229 0.2 . 1 . . . . 610 TYR CA . 16613 1 1049 . 1 1 88 88 TYR CB C 13 38.904 0.2 . 1 . . . . 610 TYR CB . 16613 1 1050 . 1 1 88 88 TYR CD1 C 13 132.914 0.2 . 3 . . . . 610 TYR CD1 . 16613 1 1051 . 1 1 88 88 TYR CE1 C 13 119.424 0.2 . 3 . . . . 610 TYR CE1 . 16613 1 1052 . 1 1 88 88 TYR N N 15 121.430 0.2 . 1 . . . . 610 TYR N . 16613 1 1053 . 1 1 89 89 VAL H H 1 8.971 0.025 . 1 . . . . 611 VAL H . 16613 1 1054 . 1 1 89 89 VAL HA H 1 3.071 0.025 . 1 . . . . 611 VAL HA . 16613 1 1055 . 1 1 89 89 VAL HB H 1 2.471 0.025 . 1 . . . . 611 VAL HB . 16613 1 1056 . 1 1 89 89 VAL HG11 H 1 0.041 0.025 . 2 . . . . 611 VAL QG1 . 16613 1 1057 . 1 1 89 89 VAL HG12 H 1 0.041 0.025 . 2 . . . . 611 VAL QG1 . 16613 1 1058 . 1 1 89 89 VAL HG13 H 1 0.041 0.025 . 2 . . . . 611 VAL QG1 . 16613 1 1059 . 1 1 89 89 VAL HG21 H 1 0.724 0.025 . 2 . . . . 611 VAL QG2 . 16613 1 1060 . 1 1 89 89 VAL HG22 H 1 0.724 0.025 . 2 . . . . 611 VAL QG2 . 16613 1 1061 . 1 1 89 89 VAL HG23 H 1 0.724 0.025 . 2 . . . . 611 VAL QG2 . 16613 1 1062 . 1 1 89 89 VAL CA C 13 70.336 0.2 . 1 . . . . 611 VAL CA . 16613 1 1063 . 1 1 89 89 VAL CB C 13 30.870 0.2 . 1 . . . . 611 VAL CB . 16613 1 1064 . 1 1 89 89 VAL CG1 C 13 20.704 0.2 . 2 . . . . 611 VAL CG1 . 16613 1 1065 . 1 1 89 89 VAL CG2 C 13 21.642 0.2 . 2 . . . . 611 VAL CG2 . 16613 1 1066 . 1 1 89 89 VAL N N 15 128.030 0.2 . 1 . . . . 611 VAL N . 16613 1 1067 . 1 1 90 90 THR H H 1 9.378 0.025 . 1 . . . . 612 THR H . 16613 1 1068 . 1 1 90 90 THR HA H 1 3.824 0.025 . 1 . . . . 612 THR HA . 16613 1 1069 . 1 1 90 90 THR HB H 1 4.298 0.025 . 1 . . . . 612 THR HB . 16613 1 1070 . 1 1 90 90 THR HG21 H 1 1.287 0.025 . 1 . . . . 612 THR QG2 . 16613 1 1071 . 1 1 90 90 THR HG22 H 1 1.287 0.025 . 1 . . . . 612 THR QG2 . 16613 1 1072 . 1 1 90 90 THR HG23 H 1 1.287 0.025 . 1 . . . . 612 THR QG2 . 16613 1 1073 . 1 1 90 90 THR CA C 13 65.090 0.2 . 1 . . . . 612 THR CA . 16613 1 1074 . 1 1 90 90 THR CB C 13 68.300 0.2 . 1 . . . . 612 THR CB . 16613 1 1075 . 1 1 90 90 THR CG2 C 13 22.233 0.2 . 1 . . . . 612 THR CG2 . 16613 1 1076 . 1 1 90 90 THR N N 15 117.990 0.2 . 1 . . . . 612 THR N . 16613 1 1077 . 1 1 91 91 HIS H H 1 7.670 0.025 . 1 . . . . 613 HIS H . 16613 1 1078 . 1 1 91 91 HIS HA H 1 4.720 0.025 . 1 . . . . 613 HIS HA . 16613 1 1079 . 1 1 91 91 HIS HB2 H 1 2.256 0.025 . 2 . . . . 613 HIS HB2 . 16613 1 1080 . 1 1 91 91 HIS HB3 H 1 3.051 0.025 . 2 . . . . 613 HIS HB3 . 16613 1 1081 . 1 1 91 91 HIS HD2 H 1 6.950 0.025 . 1 . . . . 613 HIS HD2 . 16613 1 1082 . 1 1 91 91 HIS HE1 H 1 7.780 0.025 . 1 . . . . 613 HIS HE1 . 16613 1 1083 . 1 1 91 91 HIS CA C 13 55.670 0.2 . 1 . . . . 613 HIS CA . 16613 1 1084 . 1 1 91 91 HIS CB C 13 29.620 0.2 . 1 . . . . 613 HIS CB . 16613 1 1085 . 1 1 91 91 HIS CD2 C 13 120.612 0.2 . 1 . . . . 613 HIS CD2 . 16613 1 1086 . 1 1 91 91 HIS CE1 C 13 138.546 0.2 . 1 . . . . 613 HIS CE1 . 16613 1 1087 . 1 1 91 91 HIS N N 15 119.080 0.2 . 1 . . . . 613 HIS N . 16613 1 1088 . 1 1 92 92 GLY H H 1 7.662 0.025 . 1 . . . . 614 GLY H . 16613 1 1089 . 1 1 92 92 GLY HA2 H 1 3.675 0.025 . 2 . . . . 614 GLY HA2 . 16613 1 1090 . 1 1 92 92 GLY HA3 H 1 4.102 0.025 . 2 . . . . 614 GLY HA3 . 16613 1 1091 . 1 1 92 92 GLY CA C 13 45.388 0.2 . 1 . . . . 614 GLY CA . 16613 1 1092 . 1 1 92 92 GLY N N 15 106.033 0.2 . 1 . . . . 614 GLY N . 16613 1 1093 . 1 1 93 93 PHE H H 1 6.740 0.025 . 1 . . . . 615 PHE H . 16613 1 1094 . 1 1 93 93 PHE HA H 1 5.255 0.025 . 1 . . . . 615 PHE HA . 16613 1 1095 . 1 1 93 93 PHE HB2 H 1 3.591 0.025 . 2 . . . . 615 PHE HB2 . 16613 1 1096 . 1 1 93 93 PHE HB3 H 1 3.023 0.025 . 2 . . . . 615 PHE HB3 . 16613 1 1097 . 1 1 93 93 PHE HD1 H 1 6.912 0.025 . 3 . . . . 615 PHE QD . 16613 1 1098 . 1 1 93 93 PHE HD2 H 1 6.912 0.025 . 3 . . . . 615 PHE QD . 16613 1 1099 . 1 1 93 93 PHE HE1 H 1 7.370 0.025 . 3 . . . . 615 PHE QE . 16613 1 1100 . 1 1 93 93 PHE HE2 H 1 7.370 0.025 . 3 . . . . 615 PHE QE . 16613 1 1101 . 1 1 93 93 PHE HZ H 1 7.232 0.025 . 1 . . . . 615 PHE HZ . 16613 1 1102 . 1 1 93 93 PHE CA C 13 54.280 0.2 . 1 . . . . 615 PHE CA . 16613 1 1103 . 1 1 93 93 PHE CB C 13 38.780 0.2 . 1 . . . . 615 PHE CB . 16613 1 1104 . 1 1 93 93 PHE CD1 C 13 129.576 0.2 . 3 . . . . 615 PHE CD1 . 16613 1 1105 . 1 1 93 93 PHE CE1 C 13 132.251 0.2 . 3 . . . . 615 PHE CE1 . 16613 1 1106 . 1 1 93 93 PHE CZ C 13 129.782 0.2 . 1 . . . . 615 PHE CZ . 16613 1 1107 . 1 1 93 93 PHE N N 15 116.200 0.2 . 1 . . . . 615 PHE N . 16613 1 1108 . 1 1 94 94 ASN H H 1 9.165 0.025 . 1 . . . . 616 ASN H . 16613 1 1109 . 1 1 94 94 ASN HA H 1 4.970 0.025 . 1 . . . . 616 ASN HA . 16613 1 1110 . 1 1 94 94 ASN HB2 H 1 3.031 0.025 . 2 . . . . 616 ASN HB2 . 16613 1 1111 . 1 1 94 94 ASN HB3 H 1 3.585 0.025 . 2 . . . . 616 ASN HB3 . 16613 1 1112 . 1 1 94 94 ASN HD21 H 1 7.009 0.025 . 2 . . . . 616 ASN HD21 . 16613 1 1113 . 1 1 94 94 ASN HD22 H 1 7.340 0.025 . 2 . . . . 616 ASN HD22 . 16613 1 1114 . 1 1 94 94 ASN CA C 13 51.660 0.2 . 1 . . . . 616 ASN CA . 16613 1 1115 . 1 1 94 94 ASN CB C 13 38.067 0.2 . 1 . . . . 616 ASN CB . 16613 1 1116 . 1 1 94 94 ASN N N 15 122.160 0.2 . 1 . . . . 616 ASN N . 16613 1 1117 . 1 1 94 94 ASN ND2 N 15 110.137 0.2 . 1 . . . . 616 ASN ND2 . 16613 1 1118 . 1 1 95 95 LEU H H 1 8.708 0.025 . 1 . . . . 617 LEU H . 16613 1 1119 . 1 1 95 95 LEU HA H 1 3.844 0.025 . 1 . . . . 617 LEU HA . 16613 1 1120 . 1 1 95 95 LEU HB2 H 1 1.522 0.025 . 2 . . . . 617 LEU HB2 . 16613 1 1121 . 1 1 95 95 LEU HB3 H 1 1.891 0.025 . 2 . . . . 617 LEU HB3 . 16613 1 1122 . 1 1 95 95 LEU HD11 H 1 0.878 0.025 . 2 . . . . 617 LEU QD1 . 16613 1 1123 . 1 1 95 95 LEU HD12 H 1 0.878 0.025 . 2 . . . . 617 LEU QD1 . 16613 1 1124 . 1 1 95 95 LEU HD13 H 1 0.878 0.025 . 2 . . . . 617 LEU QD1 . 16613 1 1125 . 1 1 95 95 LEU HD21 H 1 0.576 0.025 . 2 . . . . 617 LEU QD2 . 16613 1 1126 . 1 1 95 95 LEU HD22 H 1 0.576 0.025 . 2 . . . . 617 LEU QD2 . 16613 1 1127 . 1 1 95 95 LEU HD23 H 1 0.576 0.025 . 2 . . . . 617 LEU QD2 . 16613 1 1128 . 1 1 95 95 LEU HG H 1 1.790 0.025 . 1 . . . . 617 LEU HG . 16613 1 1129 . 1 1 95 95 LEU CA C 13 58.820 0.2 . 1 . . . . 617 LEU CA . 16613 1 1130 . 1 1 95 95 LEU CB C 13 42.405 0.2 . 1 . . . . 617 LEU CB . 16613 1 1131 . 1 1 95 95 LEU CD1 C 13 24.859 0.2 . 2 . . . . 617 LEU CD1 . 16613 1 1132 . 1 1 95 95 LEU CD2 C 13 23.344 0.2 . 2 . . . . 617 LEU CD2 . 16613 1 1133 . 1 1 95 95 LEU CG C 13 27.166 0.2 . 1 . . . . 617 LEU CG . 16613 1 1134 . 1 1 95 95 LEU N N 15 119.260 0.2 . 1 . . . . 617 LEU N . 16613 1 1135 . 1 1 96 96 GLU H H 1 7.775 0.025 . 1 . . . . 618 GLU H . 16613 1 1136 . 1 1 96 96 GLU HA H 1 2.872 0.025 . 1 . . . . 618 GLU HA . 16613 1 1137 . 1 1 96 96 GLU HB2 H 1 1.520 0.025 . 2 . . . . 618 GLU HB2 . 16613 1 1138 . 1 1 96 96 GLU HB3 H 1 0.795 0.025 . 2 . . . . 618 GLU HB3 . 16613 1 1139 . 1 1 96 96 GLU HG2 H 1 1.555 0.025 . 2 . . . . 618 GLU HG2 . 16613 1 1140 . 1 1 96 96 GLU HG3 H 1 1.246 0.025 . 2 . . . . 618 GLU HG3 . 16613 1 1141 . 1 1 96 96 GLU CA C 13 59.746 0.2 . 1 . . . . 618 GLU CA . 16613 1 1142 . 1 1 96 96 GLU CB C 13 28.623 0.2 . 1 . . . . 618 GLU CB . 16613 1 1143 . 1 1 96 96 GLU CG C 13 35.926 0.2 . 1 . . . . 618 GLU CG . 16613 1 1144 . 1 1 96 96 GLU N N 15 120.207 0.2 . 1 . . . . 618 GLU N . 16613 1 1145 . 1 1 97 97 GLU H H 1 8.530 0.025 . 1 . . . . 619 GLU H . 16613 1 1146 . 1 1 97 97 GLU HA H 1 3.510 0.025 . 1 . . . . 619 GLU HA . 16613 1 1147 . 1 1 97 97 GLU HB2 H 1 1.917 0.025 . 2 . . . . 619 GLU HB2 . 16613 1 1148 . 1 1 97 97 GLU HB3 H 1 1.178 0.025 . 2 . . . . 619 GLU HB3 . 16613 1 1149 . 1 1 97 97 GLU HG2 H 1 1.856 0.025 . 2 . . . . 619 GLU HG2 . 16613 1 1150 . 1 1 97 97 GLU HG3 H 1 2.170 0.025 . 2 . . . . 619 GLU HG3 . 16613 1 1151 . 1 1 97 97 GLU CA C 13 58.560 0.2 . 1 . . . . 619 GLU CA . 16613 1 1152 . 1 1 97 97 GLU CB C 13 29.499 0.2 . 1 . . . . 619 GLU CB . 16613 1 1153 . 1 1 97 97 GLU CG C 13 36.689 0.2 . 1 . . . . 619 GLU CG . 16613 1 1154 . 1 1 97 97 GLU N N 15 119.090 0.2 . 1 . . . . 619 GLU N . 16613 1 1155 . 1 1 98 98 ALA H H 1 8.350 0.025 . 1 . . . . 620 ALA H . 16613 1 1156 . 1 1 98 98 ALA HA H 1 4.222 0.025 . 1 . . . . 620 ALA HA . 16613 1 1157 . 1 1 98 98 ALA HB1 H 1 1.459 0.025 . 1 . . . . 620 ALA QB . 16613 1 1158 . 1 1 98 98 ALA HB2 H 1 1.459 0.025 . 1 . . . . 620 ALA QB . 16613 1 1159 . 1 1 98 98 ALA HB3 H 1 1.459 0.025 . 1 . . . . 620 ALA QB . 16613 1 1160 . 1 1 98 98 ALA CA C 13 55.060 0.2 . 1 . . . . 620 ALA CA . 16613 1 1161 . 1 1 98 98 ALA CB C 13 19.022 0.2 . 1 . . . . 620 ALA CB . 16613 1 1162 . 1 1 98 98 ALA N N 15 121.190 0.2 . 1 . . . . 620 ALA N . 16613 1 1163 . 1 1 99 99 ALA H H 1 8.580 0.025 . 1 . . . . 621 ALA H . 16613 1 1164 . 1 1 99 99 ALA HA H 1 3.841 0.025 . 1 . . . . 621 ALA HA . 16613 1 1165 . 1 1 99 99 ALA HB1 H 1 1.053 0.025 . 1 . . . . 621 ALA QB . 16613 1 1166 . 1 1 99 99 ALA HB2 H 1 1.053 0.025 . 1 . . . . 621 ALA QB . 16613 1 1167 . 1 1 99 99 ALA HB3 H 1 1.053 0.025 . 1 . . . . 621 ALA QB . 16613 1 1168 . 1 1 99 99 ALA CA C 13 55.400 0.2 . 1 . . . . 621 ALA CA . 16613 1 1169 . 1 1 99 99 ALA CB C 13 18.720 0.2 . 1 . . . . 621 ALA CB . 16613 1 1170 . 1 1 99 99 ALA N N 15 121.400 0.2 . 1 . . . . 621 ALA N . 16613 1 1171 . 1 1 100 100 ARG H H 1 7.636 0.025 . 1 . . . . 622 ARG H . 16613 1 1172 . 1 1 100 100 ARG HA H 1 3.655 0.025 . 1 . . . . 622 ARG HA . 16613 1 1173 . 1 1 100 100 ARG HB2 H 1 1.725 0.025 . 2 . . . . 622 ARG QB . 16613 1 1174 . 1 1 100 100 ARG HB3 H 1 1.725 0.025 . 2 . . . . 622 ARG QB . 16613 1 1175 . 1 1 100 100 ARG HD2 H 1 3.016 0.025 . 2 . . . . 622 ARG HD2 . 16613 1 1176 . 1 1 100 100 ARG HD3 H 1 2.988 0.025 . 2 . . . . 622 ARG HD3 . 16613 1 1177 . 1 1 100 100 ARG HG2 H 1 1.357 0.025 . 2 . . . . 622 ARG HG2 . 16613 1 1178 . 1 1 100 100 ARG HG3 H 1 1.600 0.025 . 2 . . . . 622 ARG HG3 . 16613 1 1179 . 1 1 100 100 ARG CA C 13 59.950 0.2 . 1 . . . . 622 ARG CA . 16613 1 1180 . 1 1 100 100 ARG CB C 13 29.720 0.2 . 1 . . . . 622 ARG CB . 16613 1 1181 . 1 1 100 100 ARG CD C 13 43.593 0.2 . 1 . . . . 622 ARG CD . 16613 1 1182 . 1 1 100 100 ARG CG C 13 27.990 0.2 . 1 . . . . 622 ARG CG . 16613 1 1183 . 1 1 100 100 ARG N N 15 114.883 0.2 . 1 . . . . 622 ARG N . 16613 1 1184 . 1 1 101 101 CYS H H 1 7.528 0.025 . 1 . . . . 623 CYS H . 16613 1 1185 . 1 1 101 101 CYS HA H 1 4.097 0.025 . 1 . . . . 623 CYS HA . 16613 1 1186 . 1 1 101 101 CYS HB2 H 1 2.978 0.025 . 2 . . . . 623 CYS HB2 . 16613 1 1187 . 1 1 101 101 CYS HB3 H 1 2.734 0.025 . 2 . . . . 623 CYS HB3 . 16613 1 1188 . 1 1 101 101 CYS CA C 13 62.670 0.2 . 1 . . . . 623 CYS CA . 16613 1 1189 . 1 1 101 101 CYS CB C 13 26.697 0.2 . 1 . . . . 623 CYS CB . 16613 1 1190 . 1 1 101 101 CYS N N 15 118.681 0.2 . 1 . . . . 623 CYS N . 16613 1 1191 . 1 1 102 102 MET H H 1 8.347 0.025 . 1 . . . . 624 MET H . 16613 1 1192 . 1 1 102 102 MET HA H 1 4.170 0.025 . 1 . . . . 624 MET HA . 16613 1 1193 . 1 1 102 102 MET HB2 H 1 2.426 0.025 . 2 . . . . 624 MET HB2 . 16613 1 1194 . 1 1 102 102 MET HB3 H 1 1.919 0.025 . 2 . . . . 624 MET HB3 . 16613 1 1195 . 1 1 102 102 MET HE1 H 1 1.900 0.025 . 1 . . . . 624 MET QE . 16613 1 1196 . 1 1 102 102 MET HE2 H 1 1.900 0.025 . 1 . . . . 624 MET QE . 16613 1 1197 . 1 1 102 102 MET HE3 H 1 1.900 0.025 . 1 . . . . 624 MET QE . 16613 1 1198 . 1 1 102 102 MET HG2 H 1 2.868 0.025 . 2 . . . . 624 MET QG . 16613 1 1199 . 1 1 102 102 MET HG3 H 1 2.868 0.025 . 2 . . . . 624 MET QG . 16613 1 1200 . 1 1 102 102 MET CA C 13 56.228 0.2 . 1 . . . . 624 MET CA . 16613 1 1201 . 1 1 102 102 MET CB C 13 30.733 0.2 . 1 . . . . 624 MET CB . 16613 1 1202 . 1 1 102 102 MET CE C 13 18.248 0.2 . 1 . . . . 624 MET CE . 16613 1 1203 . 1 1 102 102 MET CG C 13 33.334 0.2 . 1 . . . . 624 MET CG . 16613 1 1204 . 1 1 102 102 MET N N 15 119.390 0.2 . 1 . . . . 624 MET N . 16613 1 1205 . 1 1 103 103 ARG H H 1 7.529 0.025 . 1 . . . . 625 ARG H . 16613 1 1206 . 1 1 103 103 ARG HA H 1 4.030 0.025 . 1 . . . . 625 ARG HA . 16613 1 1207 . 1 1 103 103 ARG HB2 H 1 1.895 0.025 . 2 . . . . 625 ARG HB2 . 16613 1 1208 . 1 1 103 103 ARG HB3 H 1 1.780 0.025 . 2 . . . . 625 ARG HB3 . 16613 1 1209 . 1 1 103 103 ARG HD2 H 1 3.155 0.025 . 2 . . . . 625 ARG QD . 16613 1 1210 . 1 1 103 103 ARG HD3 H 1 3.155 0.025 . 2 . . . . 625 ARG QD . 16613 1 1211 . 1 1 103 103 ARG HG2 H 1 1.670 0.025 . 2 . . . . 625 ARG QG . 16613 1 1212 . 1 1 103 103 ARG HG3 H 1 1.670 0.025 . 2 . . . . 625 ARG QG . 16613 1 1213 . 1 1 103 103 ARG CA C 13 59.000 0.2 . 1 . . . . 625 ARG CA . 16613 1 1214 . 1 1 103 103 ARG CB C 13 30.750 0.2 . 1 . . . . 625 ARG CB . 16613 1 1215 . 1 1 103 103 ARG CD C 13 44.130 0.2 . 1 . . . . 625 ARG CD . 16613 1 1216 . 1 1 103 103 ARG CG C 13 27.770 0.2 . 1 . . . . 625 ARG CG . 16613 1 1217 . 1 1 103 103 ARG N N 15 120.660 0.2 . 1 . . . . 625 ARG N . 16613 1 1218 . 1 1 104 104 SER H H 1 7.654 0.025 . 1 . . . . 626 SER H . 16613 1 1219 . 1 1 104 104 SER HA H 1 4.289 0.025 . 1 . . . . 626 SER HA . 16613 1 1220 . 1 1 104 104 SER HB2 H 1 3.915 0.025 . 2 . . . . 626 SER HB2 . 16613 1 1221 . 1 1 104 104 SER CA C 13 59.296 0.2 . 1 . . . . 626 SER CA . 16613 1 1222 . 1 1 104 104 SER CB C 13 64.056 0.2 . 1 . . . . 626 SER CB . 16613 1 1223 . 1 1 104 104 SER N N 15 111.171 0.2 . 1 . . . . 626 SER N . 16613 1 1224 . 1 1 105 105 LEU H H 1 7.613 0.025 . 1 . . . . 627 LEU H . 16613 1 1225 . 1 1 105 105 LEU HA H 1 4.410 0.025 . 1 . . . . 627 LEU HA . 16613 1 1226 . 1 1 105 105 LEU HB2 H 1 1.189 0.025 . 2 . . . . 627 LEU HB2 . 16613 1 1227 . 1 1 105 105 LEU HB3 H 1 2.202 0.025 . 2 . . . . 627 LEU HB3 . 16613 1 1228 . 1 1 105 105 LEU HD11 H 1 0.746 0.025 . 2 . . . . 627 LEU QD1 . 16613 1 1229 . 1 1 105 105 LEU HD12 H 1 0.746 0.025 . 2 . . . . 627 LEU QD1 . 16613 1 1230 . 1 1 105 105 LEU HD13 H 1 0.746 0.025 . 2 . . . . 627 LEU QD1 . 16613 1 1231 . 1 1 105 105 LEU HD21 H 1 0.857 0.025 . 2 . . . . 627 LEU QD2 . 16613 1 1232 . 1 1 105 105 LEU HD22 H 1 0.857 0.025 . 2 . . . . 627 LEU QD2 . 16613 1 1233 . 1 1 105 105 LEU HD23 H 1 0.857 0.025 . 2 . . . . 627 LEU QD2 . 16613 1 1234 . 1 1 105 105 LEU HG H 1 1.567 0.025 . 1 . . . . 627 LEU HG . 16613 1 1235 . 1 1 105 105 LEU CA C 13 55.311 0.2 . 1 . . . . 627 LEU CA . 16613 1 1236 . 1 1 105 105 LEU CB C 13 42.444 0.2 . 1 . . . . 627 LEU CB . 16613 1 1237 . 1 1 105 105 LEU CD1 C 13 26.742 0.2 . 2 . . . . 627 LEU CD1 . 16613 1 1238 . 1 1 105 105 LEU CD2 C 13 24.507 0.2 . 2 . . . . 627 LEU CD2 . 16613 1 1239 . 1 1 105 105 LEU CG C 13 27.280 0.2 . 1 . . . . 627 LEU CG . 16613 1 1240 . 1 1 105 105 LEU N N 15 125.027 0.2 . 1 . . . . 627 LEU N . 16613 1 1241 . 1 1 106 106 LYS H H 1 9.738 0.025 . 1 . . . . 628 LYS H . 16613 1 1242 . 1 1 106 106 LYS HA H 1 4.241 0.025 . 1 . . . . 628 LYS HA . 16613 1 1243 . 1 1 106 106 LYS HB2 H 1 1.446 0.025 . 2 . . . . 628 LYS HB2 . 16613 1 1244 . 1 1 106 106 LYS HB3 H 1 1.749 0.025 . 2 . . . . 628 LYS HB3 . 16613 1 1245 . 1 1 106 106 LYS HD2 H 1 1.503 0.025 . 2 . . . . 628 LYS QD . 16613 1 1246 . 1 1 106 106 LYS HD3 H 1 1.503 0.025 . 2 . . . . 628 LYS QD . 16613 1 1247 . 1 1 106 106 LYS HE2 H 1 2.866 0.025 . 2 . . . . 628 LYS QE . 16613 1 1248 . 1 1 106 106 LYS HE3 H 1 2.866 0.025 . 2 . . . . 628 LYS QE . 16613 1 1249 . 1 1 106 106 LYS HG2 H 1 1.360 0.025 . 2 . . . . 628 LYS HG2 . 16613 1 1250 . 1 1 106 106 LYS HG3 H 1 1.248 0.025 . 2 . . . . 628 LYS HG3 . 16613 1 1251 . 1 1 106 106 LYS CA C 13 55.569 0.2 . 1 . . . . 628 LYS CA . 16613 1 1252 . 1 1 106 106 LYS CB C 13 33.628 0.2 . 1 . . . . 628 LYS CB . 16613 1 1253 . 1 1 106 106 LYS CD C 13 28.832 0.2 . 1 . . . . 628 LYS CD . 16613 1 1254 . 1 1 106 106 LYS CE C 13 42.358 0.2 . 1 . . . . 628 LYS CE . 16613 1 1255 . 1 1 106 106 LYS CG C 13 24.850 0.2 . 1 . . . . 628 LYS CG . 16613 1 1256 . 1 1 106 106 LYS N N 15 128.610 0.2 . 1 . . . . 628 LYS N . 16613 1 1257 . 1 1 107 107 ALA H H 1 6.620 0.025 . 1 . . . . 629 ALA H . 16613 1 1258 . 1 1 107 107 ALA HA H 1 4.433 0.025 . 1 . . . . 629 ALA HA . 16613 1 1259 . 1 1 107 107 ALA HB1 H 1 1.164 0.025 . 1 . . . . 629 ALA QB . 16613 1 1260 . 1 1 107 107 ALA HB2 H 1 1.164 0.025 . 1 . . . . 629 ALA QB . 16613 1 1261 . 1 1 107 107 ALA HB3 H 1 1.164 0.025 . 1 . . . . 629 ALA QB . 16613 1 1262 . 1 1 107 107 ALA CA C 13 50.303 0.2 . 1 . . . . 629 ALA CA . 16613 1 1263 . 1 1 107 107 ALA CB C 13 17.541 0.2 . 1 . . . . 629 ALA CB . 16613 1 1264 . 1 1 107 107 ALA N N 15 124.106 0.2 . 1 . . . . 629 ALA N . 16613 1 1265 . 1 1 108 108 PRO HA H 1 4.310 0.025 . 1 . . . . 630 PRO HA . 16613 1 1266 . 1 1 108 108 PRO HB2 H 1 2.223 0.025 . 2 . . . . 630 PRO HB2 . 16613 1 1267 . 1 1 108 108 PRO HB3 H 1 1.766 0.025 . 2 . . . . 630 PRO HB3 . 16613 1 1268 . 1 1 108 108 PRO HD2 H 1 3.714 0.025 . 2 . . . . 630 PRO HD2 . 16613 1 1269 . 1 1 108 108 PRO HD3 H 1 3.045 0.025 . 2 . . . . 630 PRO HD3 . 16613 1 1270 . 1 1 108 108 PRO HG2 H 1 1.933 0.025 . 2 . . . . 630 PRO QG . 16613 1 1271 . 1 1 108 108 PRO HG3 H 1 1.933 0.025 . 2 . . . . 630 PRO QG . 16613 1 1272 . 1 1 108 108 PRO CA C 13 63.150 0.2 . 1 . . . . 630 PRO CA . 16613 1 1273 . 1 1 108 108 PRO CB C 13 32.090 0.2 . 1 . . . . 630 PRO CB . 16613 1 1274 . 1 1 108 108 PRO CD C 13 50.024 0.2 . 1 . . . . 630 PRO CD . 16613 1 1275 . 1 1 108 108 PRO CG C 13 28.244 0.2 . 1 . . . . 630 PRO CG . 16613 1 1276 . 1 1 109 109 ALA H H 1 7.930 0.025 . 1 . . . . 631 ALA H . 16613 1 1277 . 1 1 109 109 ALA HA H 1 5.103 0.025 . 1 . . . . 631 ALA HA . 16613 1 1278 . 1 1 109 109 ALA HB1 H 1 0.988 0.025 . 1 . . . . 631 ALA QB . 16613 1 1279 . 1 1 109 109 ALA HB2 H 1 0.988 0.025 . 1 . . . . 631 ALA QB . 16613 1 1280 . 1 1 109 109 ALA HB3 H 1 0.988 0.025 . 1 . . . . 631 ALA QB . 16613 1 1281 . 1 1 109 109 ALA CA C 13 51.360 0.2 . 1 . . . . 631 ALA CA . 16613 1 1282 . 1 1 109 109 ALA CB C 13 22.560 0.2 . 1 . . . . 631 ALA CB . 16613 1 1283 . 1 1 109 109 ALA N N 15 122.500 0.2 . 1 . . . . 631 ALA N . 16613 1 1284 . 1 1 110 110 VAL H H 1 8.091 0.025 . 1 . . . . 632 VAL H . 16613 1 1285 . 1 1 110 110 VAL HA H 1 4.179 0.025 . 1 . . . . 632 VAL HA . 16613 1 1286 . 1 1 110 110 VAL HB H 1 1.704 0.025 . 1 . . . . 632 VAL HB . 16613 1 1287 . 1 1 110 110 VAL HG11 H 1 0.730 0.025 . 2 . . . . 632 VAL QG1 . 16613 1 1288 . 1 1 110 110 VAL HG12 H 1 0.730 0.025 . 2 . . . . 632 VAL QG1 . 16613 1 1289 . 1 1 110 110 VAL HG13 H 1 0.730 0.025 . 2 . . . . 632 VAL QG1 . 16613 1 1290 . 1 1 110 110 VAL HG21 H 1 0.264 0.025 . 2 . . . . 632 VAL QG2 . 16613 1 1291 . 1 1 110 110 VAL HG22 H 1 0.264 0.025 . 2 . . . . 632 VAL QG2 . 16613 1 1292 . 1 1 110 110 VAL HG23 H 1 0.264 0.025 . 2 . . . . 632 VAL QG2 . 16613 1 1293 . 1 1 110 110 VAL CA C 13 62.030 0.2 . 1 . . . . 632 VAL CA . 16613 1 1294 . 1 1 110 110 VAL CB C 13 33.260 0.2 . 1 . . . . 632 VAL CB . 16613 1 1295 . 1 1 110 110 VAL CG1 C 13 21.795 0.2 . 2 . . . . 632 VAL CG1 . 16613 1 1296 . 1 1 110 110 VAL CG2 C 13 21.795 0.2 . 2 . . . . 632 VAL CG2 . 16613 1 1297 . 1 1 110 110 VAL N N 15 125.563 0.2 . 1 . . . . 632 VAL N . 16613 1 1298 . 1 1 111 111 VAL H H 1 8.205 0.025 . 1 . . . . 633 VAL H . 16613 1 1299 . 1 1 111 111 VAL HA H 1 4.740 0.025 . 1 . . . . 633 VAL HA . 16613 1 1300 . 1 1 111 111 VAL HB H 1 1.698 0.025 . 1 . . . . 633 VAL HB . 16613 1 1301 . 1 1 111 111 VAL HG11 H 1 0.332 0.025 . 2 . . . . 633 VAL QG1 . 16613 1 1302 . 1 1 111 111 VAL HG12 H 1 0.332 0.025 . 2 . . . . 633 VAL QG1 . 16613 1 1303 . 1 1 111 111 VAL HG13 H 1 0.332 0.025 . 2 . . . . 633 VAL QG1 . 16613 1 1304 . 1 1 111 111 VAL HG21 H 1 0.613 0.025 . 2 . . . . 633 VAL QG2 . 16613 1 1305 . 1 1 111 111 VAL HG22 H 1 0.613 0.025 . 2 . . . . 633 VAL QG2 . 16613 1 1306 . 1 1 111 111 VAL HG23 H 1 0.613 0.025 . 2 . . . . 633 VAL QG2 . 16613 1 1307 . 1 1 111 111 VAL CA C 13 60.320 0.2 . 1 . . . . 633 VAL CA . 16613 1 1308 . 1 1 111 111 VAL CB C 13 33.219 0.2 . 1 . . . . 633 VAL CB . 16613 1 1309 . 1 1 111 111 VAL CG1 C 13 20.341 0.2 . 2 . . . . 633 VAL CG1 . 16613 1 1310 . 1 1 111 111 VAL CG2 C 13 21.752 0.2 . 2 . . . . 633 VAL CG2 . 16613 1 1311 . 1 1 111 111 VAL N N 15 128.158 0.2 . 1 . . . . 633 VAL N . 16613 1 1312 . 1 1 112 112 SER H H 1 8.613 0.025 . 1 . . . . 634 SER H . 16613 1 1313 . 1 1 112 112 SER HA H 1 4.940 0.025 . 1 . . . . 634 SER HA . 16613 1 1314 . 1 1 112 112 SER HB2 H 1 2.965 0.025 . 2 . . . . 634 SER HB2 . 16613 1 1315 . 1 1 112 112 SER HB3 H 1 3.810 0.025 . 2 . . . . 634 SER HB3 . 16613 1 1316 . 1 1 112 112 SER CA C 13 54.190 0.2 . 1 . . . . 634 SER CA . 16613 1 1317 . 1 1 112 112 SER CB C 13 65.000 0.2 . 1 . . . . 634 SER CB . 16613 1 1318 . 1 1 112 112 SER N N 15 119.336 0.2 . 1 . . . . 634 SER N . 16613 1 1319 . 1 1 113 113 VAL H H 1 8.530 0.025 . 1 . . . . 635 VAL H . 16613 1 1320 . 1 1 113 113 VAL HA H 1 4.540 0.025 . 1 . . . . 635 VAL HA . 16613 1 1321 . 1 1 113 113 VAL HB H 1 2.086 0.025 . 1 . . . . 635 VAL HB . 16613 1 1322 . 1 1 113 113 VAL HG11 H 1 0.485 0.025 . 2 . . . . 635 VAL QG1 . 16613 1 1323 . 1 1 113 113 VAL HG12 H 1 0.485 0.025 . 2 . . . . 635 VAL QG1 . 16613 1 1324 . 1 1 113 113 VAL HG13 H 1 0.485 0.025 . 2 . . . . 635 VAL QG1 . 16613 1 1325 . 1 1 113 113 VAL HG21 H 1 0.238 0.025 . 2 . . . . 635 VAL QG2 . 16613 1 1326 . 1 1 113 113 VAL HG22 H 1 0.238 0.025 . 2 . . . . 635 VAL QG2 . 16613 1 1327 . 1 1 113 113 VAL HG23 H 1 0.238 0.025 . 2 . . . . 635 VAL QG2 . 16613 1 1328 . 1 1 113 113 VAL CA C 13 59.760 0.2 . 1 . . . . 635 VAL CA . 16613 1 1329 . 1 1 113 113 VAL CB C 13 32.957 0.2 . 1 . . . . 635 VAL CB . 16613 1 1330 . 1 1 113 113 VAL CG1 C 13 19.730 0.2 . 2 . . . . 635 VAL CG1 . 16613 1 1331 . 1 1 113 113 VAL CG2 C 13 21.880 0.2 . 2 . . . . 635 VAL CG2 . 16613 1 1332 . 1 1 113 113 VAL N N 15 119.000 0.2 . 1 . . . . 635 VAL N . 16613 1 1333 . 1 1 114 114 SER H H 1 8.290 0.025 . 1 . . . . 636 SER H . 16613 1 1334 . 1 1 114 114 SER HA H 1 3.948 0.025 . 1 . . . . 636 SER HA . 16613 1 1335 . 1 1 114 114 SER HB2 H 1 3.965 0.025 . 2 . . . . 636 SER HB2 . 16613 1 1336 . 1 1 114 114 SER HB3 H 1 4.035 0.025 . 2 . . . . 636 SER HB3 . 16613 1 1337 . 1 1 114 114 SER CA C 13 61.920 0.2 . 1 . . . . 636 SER CA . 16613 1 1338 . 1 1 114 114 SER CB C 13 63.760 0.2 . 1 . . . . 636 SER CB . 16613 1 1339 . 1 1 114 114 SER N N 15 112.705 0.2 . 1 . . . . 636 SER N . 16613 1 1340 . 1 1 115 115 SER H H 1 7.276 0.025 . 1 . . . . 637 SER H . 16613 1 1341 . 1 1 115 115 SER HA H 1 4.968 0.025 . 1 . . . . 637 SER HA . 16613 1 1342 . 1 1 115 115 SER HB2 H 1 4.098 0.025 . 2 . . . . 637 SER HB2 . 16613 1 1343 . 1 1 115 115 SER HB3 H 1 3.797 0.025 . 2 . . . . 637 SER HB3 . 16613 1 1344 . 1 1 115 115 SER CA C 13 56.060 0.2 . 1 . . . . 637 SER CA . 16613 1 1345 . 1 1 115 115 SER CB C 13 64.374 0.2 . 1 . . . . 637 SER CB . 16613 1 1346 . 1 1 115 115 SER N N 15 114.554 0.2 . 1 . . . . 637 SER N . 16613 1 1347 . 1 1 116 116 PRO HA H 1 4.197 0.025 . 1 . . . . 638 PRO HA . 16613 1 1348 . 1 1 116 116 PRO HB2 H 1 2.397 0.025 . 2 . . . . 638 PRO HB2 . 16613 1 1349 . 1 1 116 116 PRO HB3 H 1 1.972 0.025 . 2 . . . . 638 PRO HB3 . 16613 1 1350 . 1 1 116 116 PRO HD2 H 1 3.891 0.025 . 2 . . . . 638 PRO HD2 . 16613 1 1351 . 1 1 116 116 PRO HD3 H 1 3.849 0.025 . 2 . . . . 638 PRO HD3 . 16613 1 1352 . 1 1 116 116 PRO HG2 H 1 2.151 0.025 . 2 . . . . 638 PRO HG2 . 16613 1 1353 . 1 1 116 116 PRO HG3 H 1 2.097 0.025 . 2 . . . . 638 PRO HG3 . 16613 1 1354 . 1 1 116 116 PRO CA C 13 65.321 0.2 . 1 . . . . 638 PRO CA . 16613 1 1355 . 1 1 116 116 PRO CB C 13 32.301 0.2 . 1 . . . . 638 PRO CB . 16613 1 1356 . 1 1 116 116 PRO CD C 13 50.997 0.2 . 1 . . . . 638 PRO CD . 16613 1 1357 . 1 1 116 116 PRO CG C 13 28.052 0.2 . 1 . . . . 638 PRO CG . 16613 1 1358 . 1 1 117 117 ASP H H 1 8.179 0.025 . 1 . . . . 639 ASP H . 16613 1 1359 . 1 1 117 117 ASP HA H 1 4.373 0.025 . 1 . . . . 639 ASP HA . 16613 1 1360 . 1 1 117 117 ASP HB2 H 1 2.514 0.025 . 2 . . . . 639 ASP HB2 . 16613 1 1361 . 1 1 117 117 ASP HB3 H 1 2.610 0.025 . 2 . . . . 639 ASP HB3 . 16613 1 1362 . 1 1 117 117 ASP CA C 13 56.280 0.2 . 1 . . . . 639 ASP CA . 16613 1 1363 . 1 1 117 117 ASP CB C 13 40.388 0.2 . 1 . . . . 639 ASP CB . 16613 1 1364 . 1 1 117 117 ASP N N 15 116.333 0.2 . 1 . . . . 639 ASP N . 16613 1 1365 . 1 1 118 118 ALA H H 1 7.630 0.025 . 1 . . . . 640 ALA H . 16613 1 1366 . 1 1 118 118 ALA HA H 1 4.237 0.025 . 1 . . . . 640 ALA HA . 16613 1 1367 . 1 1 118 118 ALA HB1 H 1 1.375 0.025 . 1 . . . . 640 ALA QB . 16613 1 1368 . 1 1 118 118 ALA HB2 H 1 1.375 0.025 . 1 . . . . 640 ALA QB . 16613 1 1369 . 1 1 118 118 ALA HB3 H 1 1.375 0.025 . 1 . . . . 640 ALA QB . 16613 1 1370 . 1 1 118 118 ALA CA C 13 53.310 0.2 . 1 . . . . 640 ALA CA . 16613 1 1371 . 1 1 118 118 ALA CB C 13 18.590 0.2 . 1 . . . . 640 ALA CB . 16613 1 1372 . 1 1 118 118 ALA N N 15 121.070 0.2 . 1 . . . . 640 ALA N . 16613 1 1373 . 1 1 119 119 VAL H H 1 7.320 0.025 . 1 . . . . 641 VAL H . 16613 1 1374 . 1 1 119 119 VAL HA H 1 3.241 0.025 . 1 . . . . 641 VAL HA . 16613 1 1375 . 1 1 119 119 VAL HB H 1 2.138 0.025 . 1 . . . . 641 VAL HB . 16613 1 1376 . 1 1 119 119 VAL HG11 H 1 0.687 0.025 . 2 . . . . 641 VAL QG1 . 16613 1 1377 . 1 1 119 119 VAL HG12 H 1 0.687 0.025 . 2 . . . . 641 VAL QG1 . 16613 1 1378 . 1 1 119 119 VAL HG13 H 1 0.687 0.025 . 2 . . . . 641 VAL QG1 . 16613 1 1379 . 1 1 119 119 VAL HG21 H 1 0.670 0.025 . 2 . . . . 641 VAL QG2 . 16613 1 1380 . 1 1 119 119 VAL HG22 H 1 0.670 0.025 . 2 . . . . 641 VAL QG2 . 16613 1 1381 . 1 1 119 119 VAL HG23 H 1 0.670 0.025 . 2 . . . . 641 VAL QG2 . 16613 1 1382 . 1 1 119 119 VAL CA C 13 66.980 0.2 . 1 . . . . 641 VAL CA . 16613 1 1383 . 1 1 119 119 VAL CB C 13 31.813 0.2 . 1 . . . . 641 VAL CB . 16613 1 1384 . 1 1 119 119 VAL CG1 C 13 22.686 0.2 . 2 . . . . 641 VAL CG1 . 16613 1 1385 . 1 1 119 119 VAL CG2 C 13 21.175 0.2 . 2 . . . . 641 VAL CG2 . 16613 1 1386 . 1 1 119 119 VAL N N 15 120.950 0.2 . 1 . . . . 641 VAL N . 16613 1 1387 . 1 1 120 120 THR H H 1 7.490 0.025 . 1 . . . . 642 THR H . 16613 1 1388 . 1 1 120 120 THR HA H 1 3.860 0.025 . 1 . . . . 642 THR HA . 16613 1 1389 . 1 1 120 120 THR HB H 1 4.110 0.025 . 1 . . . . 642 THR HB . 16613 1 1390 . 1 1 120 120 THR HG21 H 1 1.143 0.025 . 1 . . . . 642 THR QG2 . 16613 1 1391 . 1 1 120 120 THR HG22 H 1 1.143 0.025 . 1 . . . . 642 THR QG2 . 16613 1 1392 . 1 1 120 120 THR HG23 H 1 1.143 0.025 . 1 . . . . 642 THR QG2 . 16613 1 1393 . 1 1 120 120 THR CA C 13 65.640 0.2 . 1 . . . . 642 THR CA . 16613 1 1394 . 1 1 120 120 THR CB C 13 68.520 0.2 . 1 . . . . 642 THR CB . 16613 1 1395 . 1 1 120 120 THR CG2 C 13 22.366 0.2 . 1 . . . . 642 THR CG2 . 16613 1 1396 . 1 1 120 120 THR N N 15 112.820 0.2 . 1 . . . . 642 THR N . 16613 1 1397 . 1 1 121 121 THR H H 1 7.364 0.025 . 1 . . . . 643 THR H . 16613 1 1398 . 1 1 121 121 THR HA H 1 3.490 0.025 . 1 . . . . 643 THR HA . 16613 1 1399 . 1 1 121 121 THR HB H 1 3.824 0.025 . 1 . . . . 643 THR HB . 16613 1 1400 . 1 1 121 121 THR HG21 H 1 0.984 0.025 . 1 . . . . 643 THR QG2 . 16613 1 1401 . 1 1 121 121 THR HG22 H 1 0.984 0.025 . 1 . . . . 643 THR QG2 . 16613 1 1402 . 1 1 121 121 THR HG23 H 1 0.984 0.025 . 1 . . . . 643 THR QG2 . 16613 1 1403 . 1 1 121 121 THR CA C 13 65.680 0.2 . 1 . . . . 643 THR CA . 16613 1 1404 . 1 1 121 121 THR CB C 13 68.717 0.2 . 1 . . . . 643 THR CB . 16613 1 1405 . 1 1 121 121 THR CG2 C 13 22.732 0.2 . 1 . . . . 643 THR CG2 . 16613 1 1406 . 1 1 121 121 THR N N 15 119.234 0.2 . 1 . . . . 643 THR N . 16613 1 1407 . 1 1 122 122 TYR H H 1 8.803 0.025 . 1 . . . . 644 TYR H . 16613 1 1408 . 1 1 122 122 TYR HA H 1 3.783 0.025 . 1 . . . . 644 TYR HA . 16613 1 1409 . 1 1 122 122 TYR HB2 H 1 2.968 0.025 . 2 . . . . 644 TYR HB2 . 16613 1 1410 . 1 1 122 122 TYR HB3 H 1 2.892 0.025 . 2 . . . . 644 TYR HB3 . 16613 1 1411 . 1 1 122 122 TYR HD1 H 1 6.861 0.025 . 3 . . . . 644 TYR QD . 16613 1 1412 . 1 1 122 122 TYR HD2 H 1 6.861 0.025 . 3 . . . . 644 TYR QD . 16613 1 1413 . 1 1 122 122 TYR HE1 H 1 6.382 0.025 . 3 . . . . 644 TYR QE . 16613 1 1414 . 1 1 122 122 TYR HE2 H 1 6.382 0.025 . 3 . . . . 644 TYR QE . 16613 1 1415 . 1 1 122 122 TYR CA C 13 62.640 0.2 . 1 . . . . 644 TYR CA . 16613 1 1416 . 1 1 122 122 TYR CB C 13 39.406 0.2 . 1 . . . . 644 TYR CB . 16613 1 1417 . 1 1 122 122 TYR CD1 C 13 133.463 0.2 . 3 . . . . 644 TYR CD1 . 16613 1 1418 . 1 1 122 122 TYR CE1 C 13 117.528 0.2 . 3 . . . . 644 TYR CE1 . 16613 1 1419 . 1 1 122 122 TYR N N 15 122.890 0.2 . 1 . . . . 644 TYR N . 16613 1 1420 . 1 1 123 123 ASN H H 1 8.321 0.025 . 1 . . . . 645 ASN H . 16613 1 1421 . 1 1 123 123 ASN HA H 1 4.300 0.025 . 1 . . . . 645 ASN HA . 16613 1 1422 . 1 1 123 123 ASN HB2 H 1 2.782 0.025 . 2 . . . . 645 ASN HB2 . 16613 1 1423 . 1 1 123 123 ASN HB3 H 1 2.665 0.025 . 2 . . . . 645 ASN HB3 . 16613 1 1424 . 1 1 123 123 ASN HD21 H 1 6.809 0.025 . 2 . . . . 645 ASN HD21 . 16613 1 1425 . 1 1 123 123 ASN HD22 H 1 7.520 0.025 . 2 . . . . 645 ASN HD22 . 16613 1 1426 . 1 1 123 123 ASN CA C 13 55.370 0.2 . 1 . . . . 645 ASN CA . 16613 1 1427 . 1 1 123 123 ASN CB C 13 37.344 0.2 . 1 . . . . 645 ASN CB . 16613 1 1428 . 1 1 123 123 ASN N N 15 116.442 0.2 . 1 . . . . 645 ASN N . 16613 1 1429 . 1 1 123 123 ASN ND2 N 15 110.406 0.2 . 1 . . . . 645 ASN ND2 . 16613 1 1430 . 1 1 124 124 GLY H H 1 7.800 0.025 . 1 . . . . 646 GLY H . 16613 1 1431 . 1 1 124 124 GLY HA2 H 1 3.651 0.025 . 2 . . . . 646 GLY HA2 . 16613 1 1432 . 1 1 124 124 GLY HA3 H 1 3.709 0.025 . 2 . . . . 646 GLY HA3 . 16613 1 1433 . 1 1 124 124 GLY CA C 13 46.887 0.2 . 1 . . . . 646 GLY CA . 16613 1 1434 . 1 1 124 124 GLY N N 15 108.320 0.2 . 1 . . . . 646 GLY N . 16613 1 1435 . 1 1 125 125 TYR H H 1 7.410 0.025 . 1 . . . . 647 TYR H . 16613 1 1436 . 1 1 125 125 TYR HA H 1 4.600 0.025 . 1 . . . . 647 TYR HA . 16613 1 1437 . 1 1 125 125 TYR HB2 H 1 2.996 0.025 . 2 . . . . 647 TYR HB2 . 16613 1 1438 . 1 1 125 125 TYR HB3 H 1 2.702 0.025 . 2 . . . . 647 TYR HB3 . 16613 1 1439 . 1 1 125 125 TYR HD1 H 1 6.777 0.025 . 3 . . . . 647 TYR QD . 16613 1 1440 . 1 1 125 125 TYR HD2 H 1 6.777 0.025 . 3 . . . . 647 TYR QD . 16613 1 1441 . 1 1 125 125 TYR HE1 H 1 6.525 0.025 . 3 . . . . 647 TYR QE . 16613 1 1442 . 1 1 125 125 TYR HE2 H 1 6.525 0.025 . 3 . . . . 647 TYR QE . 16613 1 1443 . 1 1 125 125 TYR CA C 13 57.690 0.2 . 1 . . . . 647 TYR CA . 16613 1 1444 . 1 1 125 125 TYR CB C 13 37.857 0.2 . 1 . . . . 647 TYR CB . 16613 1 1445 . 1 1 125 125 TYR CD1 C 13 132.139 0.2 . 3 . . . . 647 TYR CD1 . 16613 1 1446 . 1 1 125 125 TYR CE1 C 13 118.513 0.2 . 3 . . . . 647 TYR CE1 . 16613 1 1447 . 1 1 125 125 TYR N N 15 120.540 0.2 . 1 . . . . 647 TYR N . 16613 1 1448 . 1 1 126 126 LEU H H 1 7.860 0.025 . 1 . . . . 648 LEU H . 16613 1 1449 . 1 1 126 126 LEU HA H 1 3.805 0.025 . 1 . . . . 648 LEU HA . 16613 1 1450 . 1 1 126 126 LEU HB2 H 1 1.488 0.025 . 2 . . . . 648 LEU QB . 16613 1 1451 . 1 1 126 126 LEU HB3 H 1 1.488 0.025 . 2 . . . . 648 LEU QB . 16613 1 1452 . 1 1 126 126 LEU HD11 H 1 0.591 0.025 . 2 . . . . 648 LEU QD1 . 16613 1 1453 . 1 1 126 126 LEU HD12 H 1 0.591 0.025 . 2 . . . . 648 LEU QD1 . 16613 1 1454 . 1 1 126 126 LEU HD13 H 1 0.591 0.025 . 2 . . . . 648 LEU QD1 . 16613 1 1455 . 1 1 126 126 LEU HD21 H 1 0.706 0.025 . 2 . . . . 648 LEU QD2 . 16613 1 1456 . 1 1 126 126 LEU HD22 H 1 0.706 0.025 . 2 . . . . 648 LEU QD2 . 16613 1 1457 . 1 1 126 126 LEU HD23 H 1 0.706 0.025 . 2 . . . . 648 LEU QD2 . 16613 1 1458 . 1 1 126 126 LEU HG H 1 1.373 0.025 . 1 . . . . 648 LEU HG . 16613 1 1459 . 1 1 126 126 LEU CA C 13 57.050 0.2 . 1 . . . . 648 LEU CA . 16613 1 1460 . 1 1 126 126 LEU CB C 13 42.598 0.2 . 1 . . . . 648 LEU CB . 16613 1 1461 . 1 1 126 126 LEU CD1 C 13 23.611 0.2 . 2 . . . . 648 LEU CD1 . 16613 1 1462 . 1 1 126 126 LEU CD2 C 13 25.004 0.2 . 2 . . . . 648 LEU CD2 . 16613 1 1463 . 1 1 126 126 LEU CG C 13 26.565 0.2 . 1 . . . . 648 LEU CG . 16613 1 1464 . 1 1 126 126 LEU N N 15 119.705 0.2 . 1 . . . . 648 LEU N . 16613 1 1465 . 1 1 127 127 THR H H 1 7.570 0.025 . 1 . . . . 649 THR H . 16613 1 1466 . 1 1 127 127 THR HA H 1 4.206 0.025 . 1 . . . . 649 THR HA . 16613 1 1467 . 1 1 127 127 THR HB H 1 4.267 0.025 . 1 . . . . 649 THR HB . 16613 1 1468 . 1 1 127 127 THR HG21 H 1 1.133 0.025 . 1 . . . . 649 THR QG2 . 16613 1 1469 . 1 1 127 127 THR HG22 H 1 1.133 0.025 . 1 . . . . 649 THR QG2 . 16613 1 1470 . 1 1 127 127 THR HG23 H 1 1.133 0.025 . 1 . . . . 649 THR QG2 . 16613 1 1471 . 1 1 127 127 THR CA C 13 62.410 0.2 . 1 . . . . 649 THR CA . 16613 1 1472 . 1 1 127 127 THR CB C 13 69.751 0.2 . 1 . . . . 649 THR CB . 16613 1 1473 . 1 1 127 127 THR CG2 C 13 21.646 0.2 . 1 . . . . 649 THR CG2 . 16613 1 1474 . 1 1 127 127 THR N N 15 109.230 0.2 . 1 . . . . 649 THR N . 16613 1 1475 . 1 1 128 128 SER H H 1 7.790 0.025 . 1 . . . . 650 SER H . 16613 1 1476 . 1 1 128 128 SER HA H 1 4.364 0.025 . 1 . . . . 650 SER HA . 16613 1 1477 . 1 1 128 128 SER HB2 H 1 3.916 0.025 . 2 . . . . 650 SER HB2 . 16613 1 1478 . 1 1 128 128 SER HB3 H 1 3.861 0.025 . 2 . . . . 650 SER HB3 . 16613 1 1479 . 1 1 128 128 SER CA C 13 59.030 0.2 . 1 . . . . 650 SER CA . 16613 1 1480 . 1 1 128 128 SER CB C 13 63.790 0.2 . 1 . . . . 650 SER CB . 16613 1 1481 . 1 1 128 128 SER N N 15 117.609 0.2 . 1 . . . . 650 SER N . 16613 1 1482 . 1 1 129 129 SER H H 1 8.242 0.025 . 1 . . . . 651 SER H . 16613 1 1483 . 1 1 129 129 SER HA H 1 4.443 0.025 . 1 . . . . 651 SER HA . 16613 1 1484 . 1 1 129 129 SER HB2 H 1 3.772 0.025 . 2 . . . . 651 SER HB2 . 16613 1 1485 . 1 1 129 129 SER CA C 13 58.470 0.2 . 1 . . . . 651 SER CA . 16613 1 1486 . 1 1 129 129 SER CB C 13 63.829 0.2 . 1 . . . . 651 SER CB . 16613 1 1487 . 1 1 129 129 SER N N 15 117.994 0.2 . 1 . . . . 651 SER N . 16613 1 1488 . 1 1 130 130 SER H H 1 8.246 0.025 . 1 . . . . 652 SER H . 16613 1 1489 . 1 1 130 130 SER HA H 1 4.380 0.025 . 1 . . . . 652 SER HA . 16613 1 1490 . 1 1 130 130 SER HB2 H 1 3.847 0.025 . 2 . . . . 652 SER HB2 . 16613 1 1491 . 1 1 130 130 SER HB3 H 1 3.780 0.025 . 2 . . . . 652 SER HB3 . 16613 1 1492 . 1 1 130 130 SER CA C 13 58.489 0.2 . 1 . . . . 652 SER CA . 16613 1 1493 . 1 1 130 130 SER CB C 13 63.898 0.2 . 1 . . . . 652 SER CB . 16613 1 1494 . 1 1 130 130 SER N N 15 117.335 0.2 . 1 . . . . 652 SER N . 16613 1 1495 . 1 1 131 131 LYS H H 1 8.191 0.025 . 1 . . . . 653 LYS H . 16613 1 1496 . 1 1 131 131 LYS HA H 1 4.426 0.025 . 1 . . . . 653 LYS HA . 16613 1 1497 . 1 1 131 131 LYS HB2 H 1 1.624 0.025 . 2 . . . . 653 LYS HB2 . 16613 1 1498 . 1 1 131 131 LYS HB3 H 1 1.482 0.025 . 2 . . . . 653 LYS HB3 . 16613 1 1499 . 1 1 131 131 LYS HD2 H 1 2.121 0.025 . 2 . . . . 653 LYS HD2 . 16613 1 1500 . 1 1 131 131 LYS HD3 H 1 2.137 0.025 . 2 . . . . 653 LYS HD3 . 16613 1 1501 . 1 1 131 131 LYS HG2 H 1 1.283 0.025 . 2 . . . . 653 LYS HG2 . 16613 1 1502 . 1 1 131 131 LYS HG3 H 1 1.370 0.025 . 2 . . . . 653 LYS HG3 . 16613 1 1503 . 1 1 131 131 LYS CA C 13 56.175 0.2 . 1 . . . . 653 LYS CA . 16613 1 1504 . 1 1 131 131 LYS CB C 13 33.883 0.2 . 1 . . . . 653 LYS CB . 16613 1 1505 . 1 1 131 131 LYS CD C 13 30.302 0.2 . 1 . . . . 653 LYS CD . 16613 1 1506 . 1 1 131 131 LYS CG C 13 25.384 0.2 . 1 . . . . 653 LYS CG . 16613 1 1507 . 1 1 131 131 LYS N N 15 123.241 0.2 . 1 . . . . 653 LYS N . 16613 1 1508 . 1 1 132 132 THR H H 1 8.422 0.025 . 1 . . . . 654 THR H . 16613 1 1509 . 1 1 132 132 THR HA H 1 4.444 0.025 . 1 . . . . 654 THR HA . 16613 1 1510 . 1 1 132 132 THR HB H 1 4.730 0.025 . 1 . . . . 654 THR HB . 16613 1 1511 . 1 1 132 132 THR HG21 H 1 1.280 0.025 . 1 . . . . 654 THR QG2 . 16613 1 1512 . 1 1 132 132 THR HG22 H 1 1.280 0.025 . 1 . . . . 654 THR QG2 . 16613 1 1513 . 1 1 132 132 THR HG23 H 1 1.280 0.025 . 1 . . . . 654 THR QG2 . 16613 1 1514 . 1 1 132 132 THR CA C 13 60.994 0.2 . 1 . . . . 654 THR CA . 16613 1 1515 . 1 1 132 132 THR CB C 13 71.850 0.2 . 1 . . . . 654 THR CB . 16613 1 1516 . 1 1 132 132 THR CG2 C 13 22.293 0.2 . 1 . . . . 654 THR CG2 . 16613 1 1517 . 1 1 132 132 THR N N 15 113.491 0.2 . 1 . . . . 654 THR N . 16613 1 1518 . 1 1 133 133 SER H H 1 9.110 0.025 . 1 . . . . 655 SER H . 16613 1 1519 . 1 1 133 133 SER HA H 1 4.212 0.025 . 1 . . . . 655 SER HA . 16613 1 1520 . 1 1 133 133 SER HB2 H 1 3.789 0.025 . 2 . . . . 655 SER QB . 16613 1 1521 . 1 1 133 133 SER HB3 H 1 3.789 0.025 . 2 . . . . 655 SER QB . 16613 1 1522 . 1 1 133 133 SER CA C 13 62.024 0.2 . 1 . . . . 655 SER CA . 16613 1 1523 . 1 1 133 133 SER CB C 13 62.630 0.2 . 1 . . . . 655 SER CB . 16613 1 1524 . 1 1 133 133 SER N N 15 117.789 0.2 . 1 . . . . 655 SER N . 16613 1 1525 . 1 1 134 134 GLU H H 1 9.787 0.025 . 1 . . . . 656 GLU H . 16613 1 1526 . 1 1 134 134 GLU HA H 1 3.949 0.025 . 1 . . . . 656 GLU HA . 16613 1 1527 . 1 1 134 134 GLU HB2 H 1 2.167 0.025 . 2 . . . . 656 GLU HB2 . 16613 1 1528 . 1 1 134 134 GLU HB3 H 1 1.567 0.025 . 2 . . . . 656 GLU HB3 . 16613 1 1529 . 1 1 134 134 GLU HG2 H 1 2.211 0.025 . 2 . . . . 656 GLU HG2 . 16613 1 1530 . 1 1 134 134 GLU HG3 H 1 2.806 0.025 . 2 . . . . 656 GLU HG3 . 16613 1 1531 . 1 1 134 134 GLU CA C 13 62.544 0.2 . 1 . . . . 656 GLU CA . 16613 1 1532 . 1 1 134 134 GLU CB C 13 28.641 0.2 . 1 . . . . 656 GLU CB . 16613 1 1533 . 1 1 134 134 GLU CG C 13 38.720 0.2 . 1 . . . . 656 GLU CG . 16613 1 1534 . 1 1 134 134 GLU N N 15 123.021 0.2 . 1 . . . . 656 GLU N . 16613 1 1535 . 1 1 135 135 GLU H H 1 7.687 0.025 . 1 . . . . 657 GLU H . 16613 1 1536 . 1 1 135 135 GLU HA H 1 3.642 0.025 . 1 . . . . 657 GLU HA . 16613 1 1537 . 1 1 135 135 GLU HB2 H 1 1.835 0.025 . 2 . . . . 657 GLU HB2 . 16613 1 1538 . 1 1 135 135 GLU HB3 H 1 2.135 0.025 . 2 . . . . 657 GLU HB3 . 16613 1 1539 . 1 1 135 135 GLU HG2 H 1 2.081 0.025 . 2 . . . . 657 GLU HG2 . 16613 1 1540 . 1 1 135 135 GLU HG3 H 1 2.338 0.025 . 2 . . . . 657 GLU HG3 . 16613 1 1541 . 1 1 135 135 GLU CA C 13 59.498 0.2 . 1 . . . . 657 GLU CA . 16613 1 1542 . 1 1 135 135 GLU CB C 13 30.040 0.2 . 1 . . . . 657 GLU CB . 16613 1 1543 . 1 1 135 135 GLU CG C 13 37.286 0.2 . 1 . . . . 657 GLU CG . 16613 1 1544 . 1 1 135 135 GLU N N 15 118.652 0.2 . 1 . . . . 657 GLU N . 16613 1 1545 . 1 1 136 136 HIS H H 1 8.659 0.025 . 1 . . . . 658 HIS H . 16613 1 1546 . 1 1 136 136 HIS HA H 1 4.282 0.025 . 1 . . . . 658 HIS HA . 16613 1 1547 . 1 1 136 136 HIS HB2 H 1 3.092 0.025 . 2 . . . . 658 HIS HB2 . 16613 1 1548 . 1 1 136 136 HIS HB3 H 1 3.159 0.025 . 2 . . . . 658 HIS HB3 . 16613 1 1549 . 1 1 136 136 HIS HD2 H 1 6.934 0.025 . 1 . . . . 658 HIS HD2 . 16613 1 1550 . 1 1 136 136 HIS HE1 H 1 7.758 0.025 . 1 . . . . 658 HIS HE1 . 16613 1 1551 . 1 1 136 136 HIS CA C 13 59.578 0.2 . 1 . . . . 658 HIS CA . 16613 1 1552 . 1 1 136 136 HIS CB C 13 30.367 0.2 . 1 . . . . 658 HIS CB . 16613 1 1553 . 1 1 136 136 HIS CD2 C 13 120.391 0.2 . 1 . . . . 658 HIS CD2 . 16613 1 1554 . 1 1 136 136 HIS CE1 C 13 138.550 0.2 . 1 . . . . 658 HIS CE1 . 16613 1 1555 . 1 1 136 136 HIS N N 15 119.272 0.2 . 1 . . . . 658 HIS N . 16613 1 1556 . 1 1 137 137 PHE H H 1 8.219 0.025 . 1 . . . . 659 PHE H . 16613 1 1557 . 1 1 137 137 PHE HA H 1 4.283 0.025 . 1 . . . . 659 PHE HA . 16613 1 1558 . 1 1 137 137 PHE HB2 H 1 3.085 0.025 . 2 . . . . 659 PHE HB2 . 16613 1 1559 . 1 1 137 137 PHE HB3 H 1 3.253 0.025 . 2 . . . . 659 PHE HB3 . 16613 1 1560 . 1 1 137 137 PHE HD1 H 1 6.987 0.025 . 3 . . . . 659 PHE QD . 16613 1 1561 . 1 1 137 137 PHE HD2 H 1 6.987 0.025 . 3 . . . . 659 PHE QD . 16613 1 1562 . 1 1 137 137 PHE HE1 H 1 6.603 0.025 . 3 . . . . 659 PHE QE . 16613 1 1563 . 1 1 137 137 PHE HE2 H 1 6.603 0.025 . 3 . . . . 659 PHE QE . 16613 1 1564 . 1 1 137 137 PHE HZ H 1 5.513 0.025 . 1 . . . . 659 PHE HZ . 16613 1 1565 . 1 1 137 137 PHE CA C 13 61.880 0.2 . 1 . . . . 659 PHE CA . 16613 1 1566 . 1 1 137 137 PHE CB C 13 39.839 0.2 . 1 . . . . 659 PHE CB . 16613 1 1567 . 1 1 137 137 PHE CD1 C 13 131.900 0.2 . 3 . . . . 659 PHE CD1 . 16613 1 1568 . 1 1 137 137 PHE CE1 C 13 130.904 0.2 . 3 . . . . 659 PHE CE1 . 16613 1 1569 . 1 1 137 137 PHE CZ C 13 129.100 0.2 . 1 . . . . 659 PHE CZ . 16613 1 1570 . 1 1 137 137 PHE N N 15 122.109 0.2 . 1 . . . . 659 PHE N . 16613 1 1571 . 1 1 138 138 VAL H H 1 7.806 0.025 . 1 . . . . 660 VAL H . 16613 1 1572 . 1 1 138 138 VAL HA H 1 3.439 0.025 . 1 . . . . 660 VAL HA . 16613 1 1573 . 1 1 138 138 VAL HB H 1 1.801 0.025 . 1 . . . . 660 VAL HB . 16613 1 1574 . 1 1 138 138 VAL HG11 H 1 0.555 0.025 . 2 . . . . 660 VAL QG1 . 16613 1 1575 . 1 1 138 138 VAL HG12 H 1 0.555 0.025 . 2 . . . . 660 VAL QG1 . 16613 1 1576 . 1 1 138 138 VAL HG13 H 1 0.555 0.025 . 2 . . . . 660 VAL QG1 . 16613 1 1577 . 1 1 138 138 VAL HG21 H 1 0.320 0.025 . 2 . . . . 660 VAL QG2 . 16613 1 1578 . 1 1 138 138 VAL HG22 H 1 0.320 0.025 . 2 . . . . 660 VAL QG2 . 16613 1 1579 . 1 1 138 138 VAL HG23 H 1 0.320 0.025 . 2 . . . . 660 VAL QG2 . 16613 1 1580 . 1 1 138 138 VAL CA C 13 66.576 0.2 . 1 . . . . 660 VAL CA . 16613 1 1581 . 1 1 138 138 VAL CB C 13 31.792 0.2 . 1 . . . . 660 VAL CB . 16613 1 1582 . 1 1 138 138 VAL CG1 C 13 21.648 0.2 . 2 . . . . 660 VAL CG1 . 16613 1 1583 . 1 1 138 138 VAL CG2 C 13 22.382 0.2 . 2 . . . . 660 VAL CG2 . 16613 1 1584 . 1 1 138 138 VAL N N 15 117.376 0.2 . 1 . . . . 660 VAL N . 16613 1 1585 . 1 1 139 139 GLU H H 1 7.928 0.025 . 1 . . . . 661 GLU H . 16613 1 1586 . 1 1 139 139 GLU HA H 1 3.768 0.025 . 1 . . . . 661 GLU HA . 16613 1 1587 . 1 1 139 139 GLU HB2 H 1 2.014 0.025 . 2 . . . . 661 GLU HB2 . 16613 1 1588 . 1 1 139 139 GLU HB3 H 1 2.196 0.025 . 2 . . . . 661 GLU HB3 . 16613 1 1589 . 1 1 139 139 GLU HG2 H 1 2.046 0.025 . 2 . . . . 661 GLU HG2 . 16613 1 1590 . 1 1 139 139 GLU HG3 H 1 2.203 0.025 . 2 . . . . 661 GLU HG3 . 16613 1 1591 . 1 1 139 139 GLU CA C 13 59.788 0.2 . 1 . . . . 661 GLU CA . 16613 1 1592 . 1 1 139 139 GLU CB C 13 29.920 0.2 . 1 . . . . 661 GLU CB . 16613 1 1593 . 1 1 139 139 GLU CG C 13 36.429 0.2 . 1 . . . . 661 GLU CG . 16613 1 1594 . 1 1 139 139 GLU N N 15 119.540 0.2 . 1 . . . . 661 GLU N . 16613 1 1595 . 1 1 140 140 THR H H 1 8.370 0.025 . 1 . . . . 662 THR H . 16613 1 1596 . 1 1 140 140 THR HA H 1 3.720 0.025 . 1 . . . . 662 THR HA . 16613 1 1597 . 1 1 140 140 THR HB H 1 4.064 0.025 . 1 . . . . 662 THR HB . 16613 1 1598 . 1 1 140 140 THR HG21 H 1 1.089 0.025 . 1 . . . . 662 THR QG2 . 16613 1 1599 . 1 1 140 140 THR HG22 H 1 1.089 0.025 . 1 . . . . 662 THR QG2 . 16613 1 1600 . 1 1 140 140 THR HG23 H 1 1.089 0.025 . 1 . . . . 662 THR QG2 . 16613 1 1601 . 1 1 140 140 THR CA C 13 66.512 0.2 . 1 . . . . 662 THR CA . 16613 1 1602 . 1 1 140 140 THR CB C 13 69.054 0.2 . 1 . . . . 662 THR CB . 16613 1 1603 . 1 1 140 140 THR CG2 C 13 21.520 0.2 . 1 . . . . 662 THR CG2 . 16613 1 1604 . 1 1 140 140 THR N N 15 114.480 0.2 . 1 . . . . 662 THR N . 16613 1 1605 . 1 1 141 141 VAL H H 1 8.103 0.025 . 1 . . . . 663 VAL H . 16613 1 1606 . 1 1 141 141 VAL HA H 1 3.436 0.025 . 1 . . . . 663 VAL HA . 16613 1 1607 . 1 1 141 141 VAL HB H 1 1.768 0.025 . 1 . . . . 663 VAL HB . 16613 1 1608 . 1 1 141 141 VAL HG11 H 1 0.428 0.025 . 2 . . . . 663 VAL QG1 . 16613 1 1609 . 1 1 141 141 VAL HG12 H 1 0.428 0.025 . 2 . . . . 663 VAL QG1 . 16613 1 1610 . 1 1 141 141 VAL HG13 H 1 0.428 0.025 . 2 . . . . 663 VAL QG1 . 16613 1 1611 . 1 1 141 141 VAL HG21 H 1 0.161 0.025 . 2 . . . . 663 VAL QG2 . 16613 1 1612 . 1 1 141 141 VAL HG22 H 1 0.161 0.025 . 2 . . . . 663 VAL QG2 . 16613 1 1613 . 1 1 141 141 VAL HG23 H 1 0.161 0.025 . 2 . . . . 663 VAL QG2 . 16613 1 1614 . 1 1 141 141 VAL CA C 13 66.724 0.2 . 1 . . . . 663 VAL CA . 16613 1 1615 . 1 1 141 141 VAL CB C 13 31.711 0.2 . 1 . . . . 663 VAL CB . 16613 1 1616 . 1 1 141 141 VAL CG1 C 13 22.988 0.2 . 2 . . . . 663 VAL CG1 . 16613 1 1617 . 1 1 141 141 VAL CG2 C 13 23.768 0.2 . 2 . . . . 663 VAL CG2 . 16613 1 1618 . 1 1 141 141 VAL N N 15 123.462 0.2 . 1 . . . . 663 VAL N . 16613 1 1619 . 1 1 142 142 SER H H 1 8.280 0.025 . 1 . . . . 664 SER H . 16613 1 1620 . 1 1 142 142 SER HA H 1 2.257 0.025 . 1 . . . . 664 SER HA . 16613 1 1621 . 1 1 142 142 SER HB2 H 1 3.506 0.025 . 2 . . . . 664 SER HB2 . 16613 1 1622 . 1 1 142 142 SER HB3 H 1 3.319 0.025 . 2 . . . . 664 SER HB3 . 16613 1 1623 . 1 1 142 142 SER CA C 13 60.889 0.2 . 1 . . . . 664 SER CA . 16613 1 1624 . 1 1 142 142 SER CB C 13 62.460 0.2 . 1 . . . . 664 SER CB . 16613 1 1625 . 1 1 142 142 SER N N 15 115.744 0.2 . 1 . . . . 664 SER N . 16613 1 1626 . 1 1 143 143 LEU H H 1 7.223 0.025 . 1 . . . . 665 LEU H . 16613 1 1627 . 1 1 143 143 LEU HA H 1 4.042 0.025 . 1 . . . . 665 LEU HA . 16613 1 1628 . 1 1 143 143 LEU HB2 H 1 1.444 0.025 . 2 . . . . 665 LEU HB2 . 16613 1 1629 . 1 1 143 143 LEU HB3 H 1 1.659 0.025 . 2 . . . . 665 LEU HB3 . 16613 1 1630 . 1 1 143 143 LEU HD11 H 1 0.781 0.025 . 2 . . . . 665 LEU QD1 . 16613 1 1631 . 1 1 143 143 LEU HD12 H 1 0.781 0.025 . 2 . . . . 665 LEU QD1 . 16613 1 1632 . 1 1 143 143 LEU HD13 H 1 0.781 0.025 . 2 . . . . 665 LEU QD1 . 16613 1 1633 . 1 1 143 143 LEU HD21 H 1 0.773 0.025 . 2 . . . . 665 LEU QD2 . 16613 1 1634 . 1 1 143 143 LEU HD22 H 1 0.773 0.025 . 2 . . . . 665 LEU QD2 . 16613 1 1635 . 1 1 143 143 LEU HD23 H 1 0.773 0.025 . 2 . . . . 665 LEU QD2 . 16613 1 1636 . 1 1 143 143 LEU HG H 1 1.633 0.025 . 1 . . . . 665 LEU HG . 16613 1 1637 . 1 1 143 143 LEU CA C 13 56.868 0.2 . 1 . . . . 665 LEU CA . 16613 1 1638 . 1 1 143 143 LEU CB C 13 42.356 0.2 . 1 . . . . 665 LEU CB . 16613 1 1639 . 1 1 143 143 LEU CD1 C 13 25.200 0.2 . 2 . . . . 665 LEU CD1 . 16613 1 1640 . 1 1 143 143 LEU CD2 C 13 23.606 0.2 . 2 . . . . 665 LEU CD2 . 16613 1 1641 . 1 1 143 143 LEU CG C 13 27.026 0.2 . 1 . . . . 665 LEU CG . 16613 1 1642 . 1 1 143 143 LEU N N 15 121.379 0.2 . 1 . . . . 665 LEU N . 16613 1 1643 . 1 1 144 144 ALA H H 1 7.551 0.025 . 1 . . . . 666 ALA H . 16613 1 1644 . 1 1 144 144 ALA HA H 1 4.191 0.025 . 1 . . . . 666 ALA HA . 16613 1 1645 . 1 1 144 144 ALA HB1 H 1 1.608 0.025 . 1 . . . . 666 ALA QB . 16613 1 1646 . 1 1 144 144 ALA HB2 H 1 1.608 0.025 . 1 . . . . 666 ALA QB . 16613 1 1647 . 1 1 144 144 ALA HB3 H 1 1.608 0.025 . 1 . . . . 666 ALA QB . 16613 1 1648 . 1 1 144 144 ALA CA C 13 54.040 0.2 . 1 . . . . 666 ALA CA . 16613 1 1649 . 1 1 144 144 ALA CB C 13 19.902 0.2 . 1 . . . . 666 ALA CB . 16613 1 1650 . 1 1 144 144 ALA N N 15 120.699 0.2 . 1 . . . . 666 ALA N . 16613 1 1651 . 1 1 145 145 GLY H H 1 8.564 0.025 . 1 . . . . 667 GLY H . 16613 1 1652 . 1 1 145 145 GLY HA2 H 1 3.520 0.025 . 2 . . . . 667 GLY HA2 . 16613 1 1653 . 1 1 145 145 GLY HA3 H 1 4.447 0.025 . 2 . . . . 667 GLY HA3 . 16613 1 1654 . 1 1 145 145 GLY CA C 13 45.937 0.2 . 1 . . . . 667 GLY CA . 16613 1 1655 . 1 1 145 145 GLY N N 15 104.905 0.2 . 1 . . . . 667 GLY N . 16613 1 1656 . 1 1 146 146 SER H H 1 7.516 0.025 . 1 . . . . 668 SER H . 16613 1 1657 . 1 1 146 146 SER HA H 1 4.678 0.025 . 1 . . . . 668 SER HA . 16613 1 1658 . 1 1 146 146 SER HB2 H 1 4.136 0.025 . 2 . . . . 668 SER HB2 . 16613 1 1659 . 1 1 146 146 SER HB3 H 1 3.801 0.025 . 2 . . . . 668 SER HB3 . 16613 1 1660 . 1 1 146 146 SER CA C 13 57.637 0.2 . 1 . . . . 668 SER CA . 16613 1 1661 . 1 1 146 146 SER CB C 13 65.116 0.2 . 1 . . . . 668 SER CB . 16613 1 1662 . 1 1 146 146 SER N N 15 112.076 0.2 . 1 . . . . 668 SER N . 16613 1 1663 . 1 1 147 147 TYR H H 1 8.576 0.025 . 1 . . . . 669 TYR H . 16613 1 1664 . 1 1 147 147 TYR HA H 1 4.328 0.025 . 1 . . . . 669 TYR HA . 16613 1 1665 . 1 1 147 147 TYR HB2 H 1 2.619 0.025 . 2 . . . . 669 TYR QB . 16613 1 1666 . 1 1 147 147 TYR HB3 H 1 2.619 0.025 . 2 . . . . 669 TYR QB . 16613 1 1667 . 1 1 147 147 TYR HD1 H 1 6.892 0.025 . 3 . . . . 669 TYR QD . 16613 1 1668 . 1 1 147 147 TYR HD2 H 1 6.892 0.025 . 3 . . . . 669 TYR QD . 16613 1 1669 . 1 1 147 147 TYR HE1 H 1 6.727 0.025 . 3 . . . . 669 TYR QE . 16613 1 1670 . 1 1 147 147 TYR HE2 H 1 6.727 0.025 . 3 . . . . 669 TYR QE . 16613 1 1671 . 1 1 147 147 TYR CA C 13 58.998 0.2 . 1 . . . . 669 TYR CA . 16613 1 1672 . 1 1 147 147 TYR CB C 13 41.058 0.2 . 1 . . . . 669 TYR CB . 16613 1 1673 . 1 1 147 147 TYR CD1 C 13 133.792 0.2 . 3 . . . . 669 TYR CD1 . 16613 1 1674 . 1 1 147 147 TYR CE1 C 13 118.185 0.2 . 3 . . . . 669 TYR CE1 . 16613 1 1675 . 1 1 147 147 TYR N N 15 119.434 0.2 . 1 . . . . 669 TYR N . 16613 1 1676 . 1 1 148 148 ARG H H 1 8.867 0.025 . 1 . . . . 670 ARG H . 16613 1 1677 . 1 1 148 148 ARG HA H 1 3.518 0.025 . 1 . . . . 670 ARG HA . 16613 1 1678 . 1 1 148 148 ARG HB2 H 1 2.008 0.025 . 2 . . . . 670 ARG HB2 . 16613 1 1679 . 1 1 148 148 ARG HB3 H 1 1.856 0.025 . 2 . . . . 670 ARG HB3 . 16613 1 1680 . 1 1 148 148 ARG HD2 H 1 3.046 0.025 . 2 . . . . 670 ARG HD2 . 16613 1 1681 . 1 1 148 148 ARG HD3 H 1 3.004 0.025 . 2 . . . . 670 ARG HD3 . 16613 1 1682 . 1 1 148 148 ARG HG2 H 1 1.075 0.025 . 2 . . . . 670 ARG HG2 . 16613 1 1683 . 1 1 148 148 ARG HG3 H 1 0.821 0.025 . 2 . . . . 670 ARG HG3 . 16613 1 1684 . 1 1 148 148 ARG CA C 13 58.226 0.2 . 1 . . . . 670 ARG CA . 16613 1 1685 . 1 1 148 148 ARG CB C 13 27.562 0.2 . 1 . . . . 670 ARG CB . 16613 1 1686 . 1 1 148 148 ARG CD C 13 43.400 0.2 . 1 . . . . 670 ARG CD . 16613 1 1687 . 1 1 148 148 ARG CG C 13 27.778 0.2 . 1 . . . . 670 ARG CG . 16613 1 1688 . 1 1 148 148 ARG N N 15 125.170 0.2 . 1 . . . . 670 ARG N . 16613 1 1689 . 1 1 149 149 ASP H H 1 8.905 0.025 . 1 . . . . 671 ASP H . 16613 1 1690 . 1 1 149 149 ASP HA H 1 4.575 0.025 . 1 . . . . 671 ASP HA . 16613 1 1691 . 1 1 149 149 ASP HB2 H 1 2.725 0.025 . 2 . . . . 671 ASP HB2 . 16613 1 1692 . 1 1 149 149 ASP HB3 H 1 2.582 0.025 . 2 . . . . 671 ASP HB3 . 16613 1 1693 . 1 1 149 149 ASP CA C 13 54.333 0.2 . 1 . . . . 671 ASP CA . 16613 1 1694 . 1 1 149 149 ASP CB C 13 39.230 0.2 . 1 . . . . 671 ASP CB . 16613 1 1695 . 1 1 149 149 ASP N N 15 120.294 0.2 . 1 . . . . 671 ASP N . 16613 1 1696 . 1 1 150 150 TRP H H 1 8.810 0.025 . 1 . . . . 672 TRP H . 16613 1 1697 . 1 1 150 150 TRP HA H 1 4.463 0.025 . 1 . . . . 672 TRP HA . 16613 1 1698 . 1 1 150 150 TRP HB2 H 1 3.506 0.025 . 2 . . . . 672 TRP HB2 . 16613 1 1699 . 1 1 150 150 TRP HB3 H 1 2.871 0.025 . 2 . . . . 672 TRP HB3 . 16613 1 1700 . 1 1 150 150 TRP HD1 H 1 7.417 0.025 . 1 . . . . 672 TRP HD1 . 16613 1 1701 . 1 1 150 150 TRP HE1 H 1 10.257 0.025 . 1 . . . . 672 TRP HE1 . 16613 1 1702 . 1 1 150 150 TRP HE3 H 1 6.797 0.025 . 1 . . . . 672 TRP HE3 . 16613 1 1703 . 1 1 150 150 TRP HH2 H 1 6.742 0.025 . 1 . . . . 672 TRP HH2 . 16613 1 1704 . 1 1 150 150 TRP HZ2 H 1 7.263 0.025 . 1 . . . . 672 TRP HZ2 . 16613 1 1705 . 1 1 150 150 TRP HZ3 H 1 6.587 0.025 . 1 . . . . 672 TRP HZ3 . 16613 1 1706 . 1 1 150 150 TRP CA C 13 56.672 0.2 . 1 . . . . 672 TRP CA . 16613 1 1707 . 1 1 150 150 TRP CB C 13 30.450 0.2 . 1 . . . . 672 TRP CB . 16613 1 1708 . 1 1 150 150 TRP CD1 C 13 127.605 0.2 . 1 . . . . 672 TRP CD1 . 16613 1 1709 . 1 1 150 150 TRP CE3 C 13 120.912 0.2 . 1 . . . . 672 TRP CE3 . 16613 1 1710 . 1 1 150 150 TRP CH2 C 13 123.573 0.2 . 1 . . . . 672 TRP CH2 . 16613 1 1711 . 1 1 150 150 TRP CZ2 C 13 114.380 0.2 . 1 . . . . 672 TRP CZ2 . 16613 1 1712 . 1 1 150 150 TRP CZ3 C 13 122.021 0.2 . 1 . . . . 672 TRP CZ3 . 16613 1 1713 . 1 1 150 150 TRP N N 15 121.579 0.2 . 1 . . . . 672 TRP N . 16613 1 1714 . 1 1 150 150 TRP NE1 N 15 131.638 0.2 . 1 . . . . 672 TRP NE1 . 16613 1 1715 . 1 1 151 151 SER H H 1 8.943 0.025 . 1 . . . . 673 SER H . 16613 1 1716 . 1 1 151 151 SER HA H 1 4.525 0.025 . 1 . . . . 673 SER HA . 16613 1 1717 . 1 1 151 151 SER HB2 H 1 3.810 0.025 . 2 . . . . 673 SER HB2 . 16613 1 1718 . 1 1 151 151 SER HB3 H 1 3.724 0.025 . 2 . . . . 673 SER HB3 . 16613 1 1719 . 1 1 151 151 SER CA C 13 58.191 0.2 . 1 . . . . 673 SER CA . 16613 1 1720 . 1 1 151 151 SER CB C 13 64.886 0.2 . 1 . . . . 673 SER CB . 16613 1 1721 . 1 1 151 151 SER N N 15 117.890 0.2 . 1 . . . . 673 SER N . 16613 1 1722 . 1 1 152 152 TYR H H 1 7.894 0.025 . 1 . . . . 674 TYR H . 16613 1 1723 . 1 1 152 152 TYR HA H 1 4.998 0.025 . 1 . . . . 674 TYR HA . 16613 1 1724 . 1 1 152 152 TYR HB2 H 1 2.358 0.025 . 2 . . . . 674 TYR HB2 . 16613 1 1725 . 1 1 152 152 TYR HB3 H 1 2.554 0.025 . 2 . . . . 674 TYR HB3 . 16613 1 1726 . 1 1 152 152 TYR HD1 H 1 6.991 0.025 . 3 . . . . 674 TYR QD . 16613 1 1727 . 1 1 152 152 TYR HD2 H 1 6.991 0.025 . 3 . . . . 674 TYR QD . 16613 1 1728 . 1 1 152 152 TYR HE1 H 1 6.842 0.025 . 3 . . . . 674 TYR QE . 16613 1 1729 . 1 1 152 152 TYR HE2 H 1 6.842 0.025 . 3 . . . . 674 TYR QE . 16613 1 1730 . 1 1 152 152 TYR CA C 13 57.611 0.2 . 1 . . . . 674 TYR CA . 16613 1 1731 . 1 1 152 152 TYR CB C 13 39.037 0.2 . 1 . . . . 674 TYR CB . 16613 1 1732 . 1 1 152 152 TYR CD1 C 13 134.146 0.2 . 3 . . . . 674 TYR CD1 . 16613 1 1733 . 1 1 152 152 TYR CE1 C 13 117.696 0.2 . 3 . . . . 674 TYR CE1 . 16613 1 1734 . 1 1 152 152 TYR N N 15 124.733 0.2 . 1 . . . . 674 TYR N . 16613 1 1735 . 1 1 153 153 SER H H 1 6.591 0.025 . 1 . . . . 675 SER H . 16613 1 1736 . 1 1 153 153 SER HA H 1 4.599 0.025 . 1 . . . . 675 SER HA . 16613 1 1737 . 1 1 153 153 SER HB2 H 1 3.392 0.025 . 2 . . . . 675 SER HB2 . 16613 1 1738 . 1 1 153 153 SER HB3 H 1 3.166 0.025 . 2 . . . . 675 SER HB3 . 16613 1 1739 . 1 1 153 153 SER CA C 13 56.561 0.2 . 1 . . . . 675 SER CA . 16613 1 1740 . 1 1 153 153 SER CB C 13 62.384 0.2 . 1 . . . . 675 SER CB . 16613 1 1741 . 1 1 153 153 SER N N 15 120.616 0.2 . 1 . . . . 675 SER N . 16613 1 1742 . 1 1 154 154 GLY H H 1 8.349 0.025 . 1 . . . . 676 GLY H . 16613 1 1743 . 1 1 154 154 GLY HA2 H 1 3.275 0.025 . 2 . . . . 676 GLY HA2 . 16613 1 1744 . 1 1 154 154 GLY HA3 H 1 4.055 0.025 . 2 . . . . 676 GLY HA3 . 16613 1 1745 . 1 1 154 154 GLY CA C 13 45.713 0.2 . 1 . . . . 676 GLY CA . 16613 1 1746 . 1 1 154 154 GLY N N 15 106.483 0.2 . 1 . . . . 676 GLY N . 16613 1 1747 . 1 1 155 155 GLN H H 1 7.349 0.025 . 1 . . . . 677 GLN H . 16613 1 1748 . 1 1 155 155 GLN HA H 1 4.097 0.025 . 1 . . . . 677 GLN HA . 16613 1 1749 . 1 1 155 155 GLN HB2 H 1 1.718 0.025 . 2 . . . . 677 GLN HB2 . 16613 1 1750 . 1 1 155 155 GLN HB3 H 1 1.798 0.025 . 2 . . . . 677 GLN HB3 . 16613 1 1751 . 1 1 155 155 GLN HE21 H 1 7.401 0.025 . 2 . . . . 677 GLN HE21 . 16613 1 1752 . 1 1 155 155 GLN HE22 H 1 6.809 0.025 . 2 . . . . 677 GLN HE22 . 16613 1 1753 . 1 1 155 155 GLN HG2 H 1 2.157 0.025 . 2 . . . . 677 GLN QG . 16613 1 1754 . 1 1 155 155 GLN HG3 H 1 2.157 0.025 . 2 . . . . 677 GLN QG . 16613 1 1755 . 1 1 155 155 GLN CA C 13 55.952 0.2 . 1 . . . . 677 GLN CA . 16613 1 1756 . 1 1 155 155 GLN CB C 13 29.288 0.2 . 1 . . . . 677 GLN CB . 16613 1 1757 . 1 1 155 155 GLN CG C 13 33.576 0.2 . 1 . . . . 677 GLN CG . 16613 1 1758 . 1 1 155 155 GLN N N 15 119.837 0.2 . 1 . . . . 677 GLN N . 16613 1 1759 . 1 1 155 155 GLN NE2 N 15 112.877 0.2 . 1 . . . . 677 GLN NE2 . 16613 1 1760 . 1 1 156 156 ARG H H 1 8.870 0.025 . 1 . . . . 678 ARG H . 16613 1 1761 . 1 1 156 156 ARG HA H 1 4.308 0.025 . 1 . . . . 678 ARG HA . 16613 1 1762 . 1 1 156 156 ARG HB2 H 1 1.775 0.025 . 2 . . . . 678 ARG QB . 16613 1 1763 . 1 1 156 156 ARG HB3 H 1 1.775 0.025 . 2 . . . . 678 ARG QB . 16613 1 1764 . 1 1 156 156 ARG HD2 H 1 3.158 0.025 . 2 . . . . 678 ARG HD2 . 16613 1 1765 . 1 1 156 156 ARG HD3 H 1 3.092 0.025 . 2 . . . . 678 ARG HD3 . 16613 1 1766 . 1 1 156 156 ARG HE H 1 7.530 0.025 . 1 . . . . 678 ARG HE . 16613 1 1767 . 1 1 156 156 ARG HG2 H 1 1.497 0.025 . 2 . . . . 678 ARG HG2 . 16613 1 1768 . 1 1 156 156 ARG HG3 H 1 1.641 0.025 . 2 . . . . 678 ARG HG3 . 16613 1 1769 . 1 1 156 156 ARG CA C 13 57.624 0.2 . 1 . . . . 678 ARG CA . 16613 1 1770 . 1 1 156 156 ARG CB C 13 30.730 0.2 . 1 . . . . 678 ARG CB . 16613 1 1771 . 1 1 156 156 ARG CD C 13 43.681 0.2 . 1 . . . . 678 ARG CD . 16613 1 1772 . 1 1 156 156 ARG CG C 13 28.602 0.2 . 1 . . . . 678 ARG CG . 16613 1 1773 . 1 1 156 156 ARG N N 15 126.799 0.2 . 1 . . . . 678 ARG N . 16613 1 1774 . 1 1 156 156 ARG NE N 15 85.489 0.2 . 1 . . . . 678 ARG NE . 16613 1 1775 . 1 1 157 157 THR H H 1 8.196 0.025 . 1 . . . . 679 THR H . 16613 1 1776 . 1 1 157 157 THR HA H 1 4.941 0.025 . 1 . . . . 679 THR HA . 16613 1 1777 . 1 1 157 157 THR HB H 1 4.550 0.025 . 1 . . . . 679 THR HB . 16613 1 1778 . 1 1 157 157 THR HG21 H 1 1.252 0.025 . 1 . . . . 679 THR QG2 . 16613 1 1779 . 1 1 157 157 THR HG22 H 1 1.252 0.025 . 1 . . . . 679 THR QG2 . 16613 1 1780 . 1 1 157 157 THR HG23 H 1 1.252 0.025 . 1 . . . . 679 THR QG2 . 16613 1 1781 . 1 1 157 157 THR CA C 13 60.313 0.2 . 1 . . . . 679 THR CA . 16613 1 1782 . 1 1 157 157 THR CB C 13 73.275 0.2 . 1 . . . . 679 THR CB . 16613 1 1783 . 1 1 157 157 THR CG2 C 13 21.831 0.2 . 1 . . . . 679 THR CG2 . 16613 1 1784 . 1 1 157 157 THR N N 15 116.800 0.2 . 1 . . . . 679 THR N . 16613 1 1785 . 1 1 158 158 GLU H H 1 9.206 0.025 . 1 . . . . 680 GLU H . 16613 1 1786 . 1 1 158 158 GLU HA H 1 4.088 0.025 . 1 . . . . 680 GLU HA . 16613 1 1787 . 1 1 158 158 GLU HB2 H 1 2.009 0.025 . 2 . . . . 680 GLU HB2 . 16613 1 1788 . 1 1 158 158 GLU HB3 H 1 1.970 0.025 . 2 . . . . 680 GLU HB3 . 16613 1 1789 . 1 1 158 158 GLU HG2 H 1 2.229 0.025 . 2 . . . . 680 GLU HG2 . 16613 1 1790 . 1 1 158 158 GLU HG3 H 1 2.268 0.025 . 2 . . . . 680 GLU HG3 . 16613 1 1791 . 1 1 158 158 GLU CA C 13 58.832 0.2 . 1 . . . . 680 GLU CA . 16613 1 1792 . 1 1 158 158 GLU CB C 13 29.220 0.2 . 1 . . . . 680 GLU CB . 16613 1 1793 . 1 1 158 158 GLU CG C 13 36.576 0.2 . 1 . . . . 680 GLU CG . 16613 1 1794 . 1 1 158 158 GLU N N 15 119.947 0.2 . 1 . . . . 680 GLU N . 16613 1 1795 . 1 1 159 159 LEU H H 1 7.793 0.025 . 1 . . . . 681 LEU H . 16613 1 1796 . 1 1 159 159 LEU HA H 1 4.109 0.025 . 1 . . . . 681 LEU HA . 16613 1 1797 . 1 1 159 159 LEU HB2 H 1 0.953 0.025 . 2 . . . . 681 LEU HB2 . 16613 1 1798 . 1 1 159 159 LEU HB3 H 1 0.760 0.025 . 2 . . . . 681 LEU HB3 . 16613 1 1799 . 1 1 159 159 LEU HD11 H 1 0.610 0.025 . 2 . . . . 681 LEU QD1 . 16613 1 1800 . 1 1 159 159 LEU HD12 H 1 0.610 0.025 . 2 . . . . 681 LEU QD1 . 16613 1 1801 . 1 1 159 159 LEU HD13 H 1 0.610 0.025 . 2 . . . . 681 LEU QD1 . 16613 1 1802 . 1 1 159 159 LEU HD21 H 1 0.686 0.025 . 2 . . . . 681 LEU QD2 . 16613 1 1803 . 1 1 159 159 LEU HD22 H 1 0.686 0.025 . 2 . . . . 681 LEU QD2 . 16613 1 1804 . 1 1 159 159 LEU HD23 H 1 0.686 0.025 . 2 . . . . 681 LEU QD2 . 16613 1 1805 . 1 1 159 159 LEU HG H 1 1.335 0.025 . 1 . . . . 681 LEU HG . 16613 1 1806 . 1 1 159 159 LEU CA C 13 54.734 0.2 . 1 . . . . 681 LEU CA . 16613 1 1807 . 1 1 159 159 LEU CB C 13 42.128 0.2 . 1 . . . . 681 LEU CB . 16613 1 1808 . 1 1 159 159 LEU CD1 C 13 22.973 0.2 . 2 . . . . 681 LEU CD1 . 16613 1 1809 . 1 1 159 159 LEU CD2 C 13 25.235 0.2 . 2 . . . . 681 LEU CD2 . 16613 1 1810 . 1 1 159 159 LEU CG C 13 27.376 0.2 . 1 . . . . 681 LEU CG . 16613 1 1811 . 1 1 159 159 LEU N N 15 117.813 0.2 . 1 . . . . 681 LEU N . 16613 1 1812 . 1 1 160 160 GLY H H 1 7.264 0.025 . 1 . . . . 682 GLY H . 16613 1 1813 . 1 1 160 160 GLY HA2 H 1 3.612 0.025 . 2 . . . . 682 GLY HA2 . 16613 1 1814 . 1 1 160 160 GLY HA3 H 1 4.313 0.025 . 2 . . . . 682 GLY HA3 . 16613 1 1815 . 1 1 160 160 GLY CA C 13 43.694 0.2 . 1 . . . . 682 GLY CA . 16613 1 1816 . 1 1 160 160 GLY N N 15 105.825 0.2 . 1 . . . . 682 GLY N . 16613 1 1817 . 1 1 161 161 VAL H H 1 8.851 0.025 . 1 . . . . 683 VAL H . 16613 1 1818 . 1 1 161 161 VAL HA H 1 4.106 0.025 . 1 . . . . 683 VAL HA . 16613 1 1819 . 1 1 161 161 VAL HB H 1 1.778 0.025 . 1 . . . . 683 VAL HB . 16613 1 1820 . 1 1 161 161 VAL HG11 H 1 0.406 0.025 . 2 . . . . 683 VAL QG1 . 16613 1 1821 . 1 1 161 161 VAL HG12 H 1 0.406 0.025 . 2 . . . . 683 VAL QG1 . 16613 1 1822 . 1 1 161 161 VAL HG13 H 1 0.406 0.025 . 2 . . . . 683 VAL QG1 . 16613 1 1823 . 1 1 161 161 VAL HG21 H 1 0.637 0.025 . 2 . . . . 683 VAL QG2 . 16613 1 1824 . 1 1 161 161 VAL HG22 H 1 0.637 0.025 . 2 . . . . 683 VAL QG2 . 16613 1 1825 . 1 1 161 161 VAL HG23 H 1 0.637 0.025 . 2 . . . . 683 VAL QG2 . 16613 1 1826 . 1 1 161 161 VAL CA C 13 62.474 0.2 . 1 . . . . 683 VAL CA . 16613 1 1827 . 1 1 161 161 VAL CB C 13 30.800 0.2 . 1 . . . . 683 VAL CB . 16613 1 1828 . 1 1 161 161 VAL CG1 C 13 21.026 0.2 . 2 . . . . 683 VAL CG1 . 16613 1 1829 . 1 1 161 161 VAL CG2 C 13 22.817 0.2 . 2 . . . . 683 VAL CG2 . 16613 1 1830 . 1 1 161 161 VAL N N 15 122.925 0.2 . 1 . . . . 683 VAL N . 16613 1 1831 . 1 1 162 162 GLU H H 1 9.070 0.025 . 1 . . . . 684 GLU H . 16613 1 1832 . 1 1 162 162 GLU HA H 1 3.425 0.025 . 1 . . . . 684 GLU HA . 16613 1 1833 . 1 1 162 162 GLU HB2 H 1 2.087 0.025 . 2 . . . . 684 GLU HB2 . 16613 1 1834 . 1 1 162 162 GLU HB3 H 1 1.463 0.025 . 2 . . . . 684 GLU HB3 . 16613 1 1835 . 1 1 162 162 GLU HG2 H 1 2.388 0.025 . 2 . . . . 684 GLU HG2 . 16613 1 1836 . 1 1 162 162 GLU HG3 H 1 1.873 0.025 . 2 . . . . 684 GLU HG3 . 16613 1 1837 . 1 1 162 162 GLU CA C 13 57.065 0.2 . 1 . . . . 684 GLU CA . 16613 1 1838 . 1 1 162 162 GLU CB C 13 30.557 0.2 . 1 . . . . 684 GLU CB . 16613 1 1839 . 1 1 162 162 GLU CG C 13 36.163 0.2 . 1 . . . . 684 GLU CG . 16613 1 1840 . 1 1 162 162 GLU N N 15 126.973 0.2 . 1 . . . . 684 GLU N . 16613 1 1841 . 1 1 163 163 PHE H H 1 9.333 0.025 . 1 . . . . 685 PHE H . 16613 1 1842 . 1 1 163 163 PHE HA H 1 5.049 0.025 . 1 . . . . 685 PHE HA . 16613 1 1843 . 1 1 163 163 PHE HB2 H 1 3.326 0.025 . 2 . . . . 685 PHE HB2 . 16613 1 1844 . 1 1 163 163 PHE HB3 H 1 3.192 0.025 . 2 . . . . 685 PHE HB3 . 16613 1 1845 . 1 1 163 163 PHE HD1 H 1 7.335 0.025 . 3 . . . . 685 PHE QD . 16613 1 1846 . 1 1 163 163 PHE HD2 H 1 7.335 0.025 . 3 . . . . 685 PHE QD . 16613 1 1847 . 1 1 163 163 PHE HZ H 1 6.653 0.025 . 1 . . . . 685 PHE HZ . 16613 1 1848 . 1 1 163 163 PHE CA C 13 56.430 0.2 . 1 . . . . 685 PHE CA . 16613 1 1849 . 1 1 163 163 PHE CB C 13 40.268 0.2 . 1 . . . . 685 PHE CB . 16613 1 1850 . 1 1 163 163 PHE CD1 C 13 132.143 0.2 . 3 . . . . 685 PHE CD1 . 16613 1 1851 . 1 1 163 163 PHE CZ C 13 129.680 0.2 . 1 . . . . 685 PHE CZ . 16613 1 1852 . 1 1 163 163 PHE N N 15 130.233 0.2 . 1 . . . . 685 PHE N . 16613 1 1853 . 1 1 164 164 LEU H H 1 7.440 0.025 . 1 . . . . 686 LEU H . 16613 1 1854 . 1 1 164 164 LEU HA H 1 5.104 0.025 . 1 . . . . 686 LEU HA . 16613 1 1855 . 1 1 164 164 LEU HB2 H 1 1.379 0.025 . 2 . . . . 686 LEU HB2 . 16613 1 1856 . 1 1 164 164 LEU HB3 H 1 0.953 0.025 . 2 . . . . 686 LEU HB3 . 16613 1 1857 . 1 1 164 164 LEU HD11 H 1 -0.149 0.025 . 2 . . . . 686 LEU QD1 . 16613 1 1858 . 1 1 164 164 LEU HD12 H 1 -0.149 0.025 . 2 . . . . 686 LEU QD1 . 16613 1 1859 . 1 1 164 164 LEU HD13 H 1 -0.149 0.025 . 2 . . . . 686 LEU QD1 . 16613 1 1860 . 1 1 164 164 LEU HD21 H 1 0.310 0.025 . 2 . . . . 686 LEU QD2 . 16613 1 1861 . 1 1 164 164 LEU HD22 H 1 0.310 0.025 . 2 . . . . 686 LEU QD2 . 16613 1 1862 . 1 1 164 164 LEU HD23 H 1 0.310 0.025 . 2 . . . . 686 LEU QD2 . 16613 1 1863 . 1 1 164 164 LEU HG H 1 0.065 0.025 . 1 . . . . 686 LEU HG . 16613 1 1864 . 1 1 164 164 LEU CA C 13 52.058 0.2 . 1 . . . . 686 LEU CA . 16613 1 1865 . 1 1 164 164 LEU CB C 13 48.251 0.2 . 1 . . . . 686 LEU CB . 16613 1 1866 . 1 1 164 164 LEU CD1 C 13 25.648 0.2 . 2 . . . . 686 LEU CD1 . 16613 1 1867 . 1 1 164 164 LEU CD2 C 13 22.555 0.2 . 2 . . . . 686 LEU CD2 . 16613 1 1868 . 1 1 164 164 LEU CG C 13 27.627 0.2 . 1 . . . . 686 LEU CG . 16613 1 1869 . 1 1 164 164 LEU N N 15 115.691 0.2 . 1 . . . . 686 LEU N . 16613 1 1870 . 1 1 165 165 LYS H H 1 9.072 0.025 . 1 . . . . 687 LYS H . 16613 1 1871 . 1 1 165 165 LYS HA H 1 5.393 0.025 . 1 . . . . 687 LYS HA . 16613 1 1872 . 1 1 165 165 LYS HB2 H 1 1.714 0.025 . 2 . . . . 687 LYS HB2 . 16613 1 1873 . 1 1 165 165 LYS HB3 H 1 1.464 0.025 . 2 . . . . 687 LYS HB3 . 16613 1 1874 . 1 1 165 165 LYS HD2 H 1 1.498 0.025 . 2 . . . . 687 LYS HD2 . 16613 1 1875 . 1 1 165 165 LYS HD3 H 1 1.469 0.025 . 2 . . . . 687 LYS HD3 . 16613 1 1876 . 1 1 165 165 LYS HE2 H 1 2.766 0.025 . 2 . . . . 687 LYS HE2 . 16613 1 1877 . 1 1 165 165 LYS HE3 H 1 2.684 0.025 . 2 . . . . 687 LYS HE3 . 16613 1 1878 . 1 1 165 165 LYS HG2 H 1 1.185 0.025 . 2 . . . . 687 LYS QG . 16613 1 1879 . 1 1 165 165 LYS HG3 H 1 1.185 0.025 . 2 . . . . 687 LYS QG . 16613 1 1880 . 1 1 165 165 LYS CA C 13 54.983 0.2 . 1 . . . . 687 LYS CA . 16613 1 1881 . 1 1 165 165 LYS CB C 13 36.698 0.2 . 1 . . . . 687 LYS CB . 16613 1 1882 . 1 1 165 165 LYS CD C 13 29.704 0.2 . 1 . . . . 687 LYS CD . 16613 1 1883 . 1 1 165 165 LYS CE C 13 41.953 0.2 . 1 . . . . 687 LYS CE . 16613 1 1884 . 1 1 165 165 LYS CG C 13 25.019 0.2 . 1 . . . . 687 LYS CG . 16613 1 1885 . 1 1 165 165 LYS N N 15 119.323 0.2 . 1 . . . . 687 LYS N . 16613 1 1886 . 1 1 166 166 ARG H H 1 7.878 0.025 . 1 . . . . 688 ARG H . 16613 1 1887 . 1 1 166 166 ARG HA H 1 3.938 0.025 . 1 . . . . 688 ARG HA . 16613 1 1888 . 1 1 166 166 ARG HB2 H 1 0.298 0.025 . 2 . . . . 688 ARG HB2 . 16613 1 1889 . 1 1 166 166 ARG HB3 H 1 -0.431 0.025 . 2 . . . . 688 ARG HB3 . 16613 1 1890 . 1 1 166 166 ARG HD2 H 1 2.270 0.025 . 2 . . . . 688 ARG HD2 . 16613 1 1891 . 1 1 166 166 ARG HD3 H 1 1.627 0.025 . 2 . . . . 688 ARG HD3 . 16613 1 1892 . 1 1 166 166 ARG HG2 H 1 0.640 0.025 . 2 . . . . 688 ARG HG2 . 16613 1 1893 . 1 1 166 166 ARG HG3 H 1 1.070 0.025 . 2 . . . . 688 ARG HG3 . 16613 1 1894 . 1 1 166 166 ARG CA C 13 56.865 0.2 . 1 . . . . 688 ARG CA . 16613 1 1895 . 1 1 166 166 ARG CB C 13 30.632 0.2 . 1 . . . . 688 ARG CB . 16613 1 1896 . 1 1 166 166 ARG CD C 13 42.934 0.2 . 1 . . . . 688 ARG CD . 16613 1 1897 . 1 1 166 166 ARG CG C 13 25.960 0.2 . 1 . . . . 688 ARG CG . 16613 1 1898 . 1 1 166 166 ARG N N 15 124.271 0.2 . 1 . . . . 688 ARG N . 16613 1 1899 . 1 1 167 167 GLY H H 1 9.089 0.025 . 1 . . . . 689 GLY H . 16613 1 1900 . 1 1 167 167 GLY HA2 H 1 3.547 0.025 . 2 . . . . 689 GLY HA2 . 16613 1 1901 . 1 1 167 167 GLY HA3 H 1 3.762 0.025 . 2 . . . . 689 GLY HA3 . 16613 1 1902 . 1 1 167 167 GLY CA C 13 47.468 0.2 . 1 . . . . 689 GLY CA . 16613 1 1903 . 1 1 167 167 GLY N N 15 120.419 0.2 . 1 . . . . 689 GLY N . 16613 1 1904 . 1 1 168 168 ASP H H 1 8.724 0.025 . 1 . . . . 690 ASP H . 16613 1 1905 . 1 1 168 168 ASP HA H 1 4.580 0.025 . 1 . . . . 690 ASP HA . 16613 1 1906 . 1 1 168 168 ASP HB2 H 1 2.671 0.025 . 2 . . . . 690 ASP HB2 . 16613 1 1907 . 1 1 168 168 ASP HB3 H 1 2.704 0.025 . 2 . . . . 690 ASP HB3 . 16613 1 1908 . 1 1 168 168 ASP CA C 13 53.824 0.2 . 1 . . . . 690 ASP CA . 16613 1 1909 . 1 1 168 168 ASP CB C 13 40.754 0.2 . 1 . . . . 690 ASP CB . 16613 1 1910 . 1 1 168 168 ASP N N 15 126.675 0.2 . 1 . . . . 690 ASP N . 16613 1 1911 . 1 1 169 169 LYS H H 1 7.989 0.025 . 1 . . . . 691 LYS H . 16613 1 1912 . 1 1 169 169 LYS HA H 1 4.764 0.025 . 1 . . . . 691 LYS HA . 16613 1 1913 . 1 1 169 169 LYS HB2 H 1 2.163 0.025 . 2 . . . . 691 LYS HB2 . 16613 1 1914 . 1 1 169 169 LYS HB3 H 1 1.742 0.025 . 2 . . . . 691 LYS HB3 . 16613 1 1915 . 1 1 169 169 LYS HD2 H 1 1.773 0.025 . 2 . . . . 691 LYS HD2 . 16613 1 1916 . 1 1 169 169 LYS HD3 H 1 1.737 0.025 . 2 . . . . 691 LYS HD3 . 16613 1 1917 . 1 1 169 169 LYS HE2 H 1 3.074 0.025 . 2 . . . . 691 LYS HE2 . 16613 1 1918 . 1 1 169 169 LYS HE3 H 1 2.986 0.025 . 2 . . . . 691 LYS HE3 . 16613 1 1919 . 1 1 169 169 LYS HG2 H 1 1.562 0.025 . 2 . . . . 691 LYS HG2 . 16613 1 1920 . 1 1 169 169 LYS HG3 H 1 1.614 0.025 . 2 . . . . 691 LYS HG3 . 16613 1 1921 . 1 1 169 169 LYS CA C 13 54.787 0.2 . 1 . . . . 691 LYS CA . 16613 1 1922 . 1 1 169 169 LYS CB C 13 34.508 0.2 . 1 . . . . 691 LYS CB . 16613 1 1923 . 1 1 169 169 LYS CD C 13 28.886 0.2 . 1 . . . . 691 LYS CD . 16613 1 1924 . 1 1 169 169 LYS CE C 13 42.310 0.2 . 1 . . . . 691 LYS CE . 16613 1 1925 . 1 1 169 169 LYS CG C 13 24.588 0.2 . 1 . . . . 691 LYS CG . 16613 1 1926 . 1 1 169 169 LYS N N 15 119.695 0.2 . 1 . . . . 691 LYS N . 16613 1 1927 . 1 1 170 170 ILE H H 1 8.255 0.025 . 1 . . . . 692 ILE H . 16613 1 1928 . 1 1 170 170 ILE HA H 1 4.719 0.025 . 1 . . . . 692 ILE HA . 16613 1 1929 . 1 1 170 170 ILE HB H 1 1.483 0.025 . 1 . . . . 692 ILE HB . 16613 1 1930 . 1 1 170 170 ILE HD11 H 1 0.728 0.025 . 1 . . . . 692 ILE QD1 . 16613 1 1931 . 1 1 170 170 ILE HD12 H 1 0.728 0.025 . 1 . . . . 692 ILE QD1 . 16613 1 1932 . 1 1 170 170 ILE HD13 H 1 0.728 0.025 . 1 . . . . 692 ILE QD1 . 16613 1 1933 . 1 1 170 170 ILE HG12 H 1 1.407 0.025 . 2 . . . . 692 ILE HG12 . 16613 1 1934 . 1 1 170 170 ILE HG13 H 1 0.595 0.025 . 2 . . . . 692 ILE HG13 . 16613 1 1935 . 1 1 170 170 ILE HG21 H 1 -0.040 0.025 . 1 . . . . 692 ILE QG2 . 16613 1 1936 . 1 1 170 170 ILE HG22 H 1 -0.040 0.025 . 1 . . . . 692 ILE QG2 . 16613 1 1937 . 1 1 170 170 ILE HG23 H 1 -0.040 0.025 . 1 . . . . 692 ILE QG2 . 16613 1 1938 . 1 1 170 170 ILE CA C 13 60.692 0.2 . 1 . . . . 692 ILE CA . 16613 1 1939 . 1 1 170 170 ILE CB C 13 42.319 0.2 . 1 . . . . 692 ILE CB . 16613 1 1940 . 1 1 170 170 ILE CD1 C 13 14.067 0.2 . 1 . . . . 692 ILE CD1 . 16613 1 1941 . 1 1 170 170 ILE CG1 C 13 27.756 0.2 . 1 . . . . 692 ILE CG1 . 16613 1 1942 . 1 1 170 170 ILE CG2 C 13 16.470 0.2 . 1 . . . . 692 ILE CG2 . 16613 1 1943 . 1 1 170 170 ILE N N 15 121.662 0.2 . 1 . . . . 692 ILE N . 16613 1 1944 . 1 1 171 171 VAL H H 1 9.214 0.025 . 1 . . . . 693 VAL H . 16613 1 1945 . 1 1 171 171 VAL HA H 1 4.641 0.025 . 1 . . . . 693 VAL HA . 16613 1 1946 . 1 1 171 171 VAL HB H 1 1.887 0.025 . 1 . . . . 693 VAL HB . 16613 1 1947 . 1 1 171 171 VAL HG11 H 1 1.107 0.025 . 2 . . . . 693 VAL QG1 . 16613 1 1948 . 1 1 171 171 VAL HG12 H 1 1.107 0.025 . 2 . . . . 693 VAL QG1 . 16613 1 1949 . 1 1 171 171 VAL HG13 H 1 1.107 0.025 . 2 . . . . 693 VAL QG1 . 16613 1 1950 . 1 1 171 171 VAL HG21 H 1 0.662 0.025 . 2 . . . . 693 VAL QG2 . 16613 1 1951 . 1 1 171 171 VAL HG22 H 1 0.662 0.025 . 2 . . . . 693 VAL QG2 . 16613 1 1952 . 1 1 171 171 VAL HG23 H 1 0.662 0.025 . 2 . . . . 693 VAL QG2 . 16613 1 1953 . 1 1 171 171 VAL CA C 13 60.839 0.2 . 1 . . . . 693 VAL CA . 16613 1 1954 . 1 1 171 171 VAL CB C 13 33.952 0.2 . 1 . . . . 693 VAL CB . 16613 1 1955 . 1 1 171 171 VAL CG1 C 13 22.547 0.2 . 2 . . . . 693 VAL CG1 . 16613 1 1956 . 1 1 171 171 VAL CG2 C 13 22.172 0.2 . 2 . . . . 693 VAL CG2 . 16613 1 1957 . 1 1 171 171 VAL N N 15 125.250 0.2 . 1 . . . . 693 VAL N . 16613 1 1958 . 1 1 172 172 TYR H H 1 9.485 0.025 . 1 . . . . 694 TYR H . 16613 1 1959 . 1 1 172 172 TYR HA H 1 5.401 0.025 . 1 . . . . 694 TYR HA . 16613 1 1960 . 1 1 172 172 TYR HB2 H 1 2.515 0.025 . 2 . . . . 694 TYR HB2 . 16613 1 1961 . 1 1 172 172 TYR HB3 H 1 2.041 0.025 . 2 . . . . 694 TYR HB3 . 16613 1 1962 . 1 1 172 172 TYR HD1 H 1 6.591 0.025 . 3 . . . . 694 TYR QD . 16613 1 1963 . 1 1 172 172 TYR HD2 H 1 6.591 0.025 . 3 . . . . 694 TYR QD . 16613 1 1964 . 1 1 172 172 TYR HE1 H 1 6.681 0.025 . 3 . . . . 694 TYR QE . 16613 1 1965 . 1 1 172 172 TYR HE2 H 1 6.681 0.025 . 3 . . . . 694 TYR QE . 16613 1 1966 . 1 1 172 172 TYR CA C 13 57.754 0.2 . 1 . . . . 694 TYR CA . 16613 1 1967 . 1 1 172 172 TYR CB C 13 41.937 0.2 . 1 . . . . 694 TYR CB . 16613 1 1968 . 1 1 172 172 TYR CD1 C 13 133.219 0.2 . 3 . . . . 694 TYR CD1 . 16613 1 1969 . 1 1 172 172 TYR CE1 C 13 118.234 0.2 . 3 . . . . 694 TYR CE1 . 16613 1 1970 . 1 1 172 172 TYR N N 15 128.080 0.2 . 1 . . . . 694 TYR N . 16613 1 1971 . 1 1 173 173 HIS H H 1 9.273 0.025 . 1 . . . . 695 HIS H . 16613 1 1972 . 1 1 173 173 HIS HA H 1 6.048 0.025 . 1 . . . . 695 HIS HA . 16613 1 1973 . 1 1 173 173 HIS HB2 H 1 2.806 0.025 . 2 . . . . 695 HIS HB2 . 16613 1 1974 . 1 1 173 173 HIS HB3 H 1 2.514 0.025 . 2 . . . . 695 HIS HB3 . 16613 1 1975 . 1 1 173 173 HIS HD2 H 1 6.130 0.025 . 1 . . . . 695 HIS HD2 . 16613 1 1976 . 1 1 173 173 HIS HE1 H 1 7.573 0.025 . 1 . . . . 695 HIS HE1 . 16613 1 1977 . 1 1 173 173 HIS CA C 13 53.800 0.2 . 1 . . . . 695 HIS CA . 16613 1 1978 . 1 1 173 173 HIS CB C 13 33.601 0.2 . 1 . . . . 695 HIS CB . 16613 1 1979 . 1 1 173 173 HIS CD2 C 13 127.676 0.2 . 1 . . . . 695 HIS CD2 . 16613 1 1980 . 1 1 173 173 HIS CE1 C 13 139.770 0.2 . 1 . . . . 695 HIS CE1 . 16613 1 1981 . 1 1 173 173 HIS N N 15 115.648 0.2 . 1 . . . . 695 HIS N . 16613 1 1982 . 1 1 174 174 THR H H 1 8.278 0.025 . 1 . . . . 696 THR H . 16613 1 1983 . 1 1 174 174 THR HA H 1 4.470 0.025 . 1 . . . . 696 THR HA . 16613 1 1984 . 1 1 174 174 THR HB H 1 4.669 0.025 . 1 . . . . 696 THR HB . 16613 1 1985 . 1 1 174 174 THR HG21 H 1 1.253 0.025 . 1 . . . . 696 THR QG2 . 16613 1 1986 . 1 1 174 174 THR HG22 H 1 1.253 0.025 . 1 . . . . 696 THR QG2 . 16613 1 1987 . 1 1 174 174 THR HG23 H 1 1.253 0.025 . 1 . . . . 696 THR QG2 . 16613 1 1988 . 1 1 174 174 THR CA C 13 61.608 0.2 . 1 . . . . 696 THR CA . 16613 1 1989 . 1 1 174 174 THR CB C 13 70.397 0.2 . 1 . . . . 696 THR CB . 16613 1 1990 . 1 1 174 174 THR CG2 C 13 23.810 0.2 . 1 . . . . 696 THR CG2 . 16613 1 1991 . 1 1 174 174 THR N N 15 110.771 0.2 . 1 . . . . 696 THR N . 16613 1 1992 . 1 1 175 175 LEU H H 1 8.711 0.025 . 1 . . . . 697 LEU H . 16613 1 1993 . 1 1 175 175 LEU HA H 1 4.207 0.025 . 1 . . . . 697 LEU HA . 16613 1 1994 . 1 1 175 175 LEU HB2 H 1 1.584 0.025 . 2 . . . . 697 LEU HB2 . 16613 1 1995 . 1 1 175 175 LEU HD11 H 1 0.838 0.025 . 2 . . . . 697 LEU QD1 . 16613 1 1996 . 1 1 175 175 LEU HD12 H 1 0.838 0.025 . 2 . . . . 697 LEU QD1 . 16613 1 1997 . 1 1 175 175 LEU HD13 H 1 0.838 0.025 . 2 . . . . 697 LEU QD1 . 16613 1 1998 . 1 1 175 175 LEU HD21 H 1 0.804 0.025 . 2 . . . . 697 LEU QD2 . 16613 1 1999 . 1 1 175 175 LEU HD22 H 1 0.804 0.025 . 2 . . . . 697 LEU QD2 . 16613 1 2000 . 1 1 175 175 LEU HD23 H 1 0.804 0.025 . 2 . . . . 697 LEU QD2 . 16613 1 2001 . 1 1 175 175 LEU HG H 1 1.509 0.025 . 1 . . . . 697 LEU HG . 16613 1 2002 . 1 1 175 175 LEU CA C 13 56.525 0.2 . 1 . . . . 697 LEU CA . 16613 1 2003 . 1 1 175 175 LEU CB C 13 42.944 0.2 . 1 . . . . 697 LEU CB . 16613 1 2004 . 1 1 175 175 LEU CD1 C 13 25.151 0.2 . 2 . . . . 697 LEU CD1 . 16613 1 2005 . 1 1 175 175 LEU CD2 C 13 24.151 0.2 . 2 . . . . 697 LEU CD2 . 16613 1 2006 . 1 1 175 175 LEU CG C 13 27.946 0.2 . 1 . . . . 697 LEU CG . 16613 1 2007 . 1 1 175 175 LEU N N 15 120.405 0.2 . 1 . . . . 697 LEU N . 16613 1 2008 . 1 1 176 176 GLU H H 1 7.613 0.025 . 1 . . . . 698 GLU H . 16613 1 2009 . 1 1 176 176 GLU HA H 1 4.373 0.025 . 1 . . . . 698 GLU HA . 16613 1 2010 . 1 1 176 176 GLU HB2 H 1 1.977 0.025 . 2 . . . . 698 GLU HB2 . 16613 1 2011 . 1 1 176 176 GLU HB3 H 1 1.793 0.025 . 2 . . . . 698 GLU HB3 . 16613 1 2012 . 1 1 176 176 GLU HG2 H 1 2.140 0.025 . 2 . . . . 698 GLU QG . 16613 1 2013 . 1 1 176 176 GLU HG3 H 1 2.140 0.025 . 2 . . . . 698 GLU QG . 16613 1 2014 . 1 1 176 176 GLU CA C 13 54.892 0.2 . 1 . . . . 698 GLU CA . 16613 1 2015 . 1 1 176 176 GLU CB C 13 31.395 0.2 . 1 . . . . 698 GLU CB . 16613 1 2016 . 1 1 176 176 GLU CG C 13 36.315 0.2 . 1 . . . . 698 GLU CG . 16613 1 2017 . 1 1 176 176 GLU N N 15 116.665 0.2 . 1 . . . . 698 GLU N . 16613 1 2018 . 1 1 177 177 SER H H 1 8.162 0.025 . 1 . . . . 699 SER H . 16613 1 2019 . 1 1 177 177 SER HA H 1 4.374 0.025 . 1 . . . . 699 SER HA . 16613 1 2020 . 1 1 177 177 SER HB2 H 1 3.634 0.025 . 2 . . . . 699 SER HB2 . 16613 1 2021 . 1 1 177 177 SER HB3 H 1 3.708 0.025 . 2 . . . . 699 SER HB3 . 16613 1 2022 . 1 1 177 177 SER CA C 13 56.293 0.2 . 1 . . . . 699 SER CA . 16613 1 2023 . 1 1 177 177 SER CB C 13 63.534 0.2 . 1 . . . . 699 SER CB . 16613 1 2024 . 1 1 177 177 SER N N 15 115.602 0.2 . 1 . . . . 699 SER N . 16613 1 2025 . 1 1 178 178 PRO HA H 1 4.580 0.025 . 1 . . . . 700 PRO HA . 16613 1 2026 . 1 1 178 178 PRO HB2 H 1 1.964 0.025 . 2 . . . . 700 PRO HB2 . 16613 1 2027 . 1 1 178 178 PRO HB3 H 1 2.228 0.025 . 2 . . . . 700 PRO HB3 . 16613 1 2028 . 1 1 178 178 PRO HD2 H 1 3.469 0.025 . 2 . . . . 700 PRO HD2 . 16613 1 2029 . 1 1 178 178 PRO HD3 H 1 3.425 0.025 . 2 . . . . 700 PRO HD3 . 16613 1 2030 . 1 1 178 178 PRO HG2 H 1 1.876 0.025 . 2 . . . . 700 PRO HG2 . 16613 1 2031 . 1 1 178 178 PRO HG3 H 1 1.770 0.025 . 2 . . . . 700 PRO HG3 . 16613 1 2032 . 1 1 178 178 PRO CA C 13 62.030 0.2 . 1 . . . . 700 PRO CA . 16613 1 2033 . 1 1 178 178 PRO CB C 13 33.940 0.2 . 1 . . . . 700 PRO CB . 16613 1 2034 . 1 1 178 178 PRO CD C 13 50.656 0.2 . 1 . . . . 700 PRO CD . 16613 1 2035 . 1 1 178 178 PRO CG C 13 25.300 0.2 . 1 . . . . 700 PRO CG . 16613 1 2036 . 1 1 179 179 VAL H H 1 7.753 0.025 . 1 . . . . 701 VAL H . 16613 1 2037 . 1 1 179 179 VAL HA H 1 3.482 0.025 . 1 . . . . 701 VAL HA . 16613 1 2038 . 1 1 179 179 VAL HB H 1 1.537 0.025 . 1 . . . . 701 VAL HB . 16613 1 2039 . 1 1 179 179 VAL HG11 H 1 0.587 0.025 . 2 . . . . 701 VAL QG1 . 16613 1 2040 . 1 1 179 179 VAL HG12 H 1 0.587 0.025 . 2 . . . . 701 VAL QG1 . 16613 1 2041 . 1 1 179 179 VAL HG13 H 1 0.587 0.025 . 2 . . . . 701 VAL QG1 . 16613 1 2042 . 1 1 179 179 VAL HG21 H 1 0.188 0.025 . 2 . . . . 701 VAL QG2 . 16613 1 2043 . 1 1 179 179 VAL HG22 H 1 0.188 0.025 . 2 . . . . 701 VAL QG2 . 16613 1 2044 . 1 1 179 179 VAL HG23 H 1 0.188 0.025 . 2 . . . . 701 VAL QG2 . 16613 1 2045 . 1 1 179 179 VAL CA C 13 63.647 0.2 . 1 . . . . 701 VAL CA . 16613 1 2046 . 1 1 179 179 VAL CB C 13 31.942 0.2 . 1 . . . . 701 VAL CB . 16613 1 2047 . 1 1 179 179 VAL CG1 C 13 22.258 0.2 . 2 . . . . 701 VAL CG1 . 16613 1 2048 . 1 1 179 179 VAL CG2 C 13 21.219 0.2 . 2 . . . . 701 VAL CG2 . 16613 1 2049 . 1 1 179 179 VAL N N 15 124.396 0.2 . 1 . . . . 701 VAL N . 16613 1 2050 . 1 1 180 180 GLU H H 1 7.750 0.025 . 1 . . . . 702 GLU H . 16613 1 2051 . 1 1 180 180 GLU HA H 1 4.354 0.025 . 1 . . . . 702 GLU HA . 16613 1 2052 . 1 1 180 180 GLU HB2 H 1 1.868 0.025 . 2 . . . . 702 GLU HB2 . 16613 1 2053 . 1 1 180 180 GLU HB3 H 1 1.782 0.025 . 2 . . . . 702 GLU HB3 . 16613 1 2054 . 1 1 180 180 GLU HG2 H 1 1.993 0.025 . 2 . . . . 702 GLU HG2 . 16613 1 2055 . 1 1 180 180 GLU HG3 H 1 2.094 0.025 . 2 . . . . 702 GLU HG3 . 16613 1 2056 . 1 1 180 180 GLU CA C 13 53.692 0.2 . 1 . . . . 702 GLU CA . 16613 1 2057 . 1 1 180 180 GLU CB C 13 33.886 0.2 . 1 . . . . 702 GLU CB . 16613 1 2058 . 1 1 180 180 GLU CG C 13 36.779 0.2 . 1 . . . . 702 GLU CG . 16613 1 2059 . 1 1 180 180 GLU N N 15 124.331 0.2 . 1 . . . . 702 GLU N . 16613 1 2060 . 1 1 181 181 PHE H H 1 8.046 0.025 . 1 . . . . 703 PHE H . 16613 1 2061 . 1 1 181 181 PHE HA H 1 5.736 0.025 . 1 . . . . 703 PHE HA . 16613 1 2062 . 1 1 181 181 PHE HB2 H 1 3.213 0.025 . 2 . . . . 703 PHE HB2 . 16613 1 2063 . 1 1 181 181 PHE HB3 H 1 2.896 0.025 . 2 . . . . 703 PHE HB3 . 16613 1 2064 . 1 1 181 181 PHE HD1 H 1 7.080 0.025 . 3 . . . . 703 PHE QD . 16613 1 2065 . 1 1 181 181 PHE HD2 H 1 7.080 0.025 . 3 . . . . 703 PHE QD . 16613 1 2066 . 1 1 181 181 PHE HE1 H 1 6.619 0.025 . 3 . . . . 703 PHE QE . 16613 1 2067 . 1 1 181 181 PHE HE2 H 1 6.619 0.025 . 3 . . . . 703 PHE QE . 16613 1 2068 . 1 1 181 181 PHE HZ H 1 6.990 0.025 . 1 . . . . 703 PHE HZ . 16613 1 2069 . 1 1 181 181 PHE CA C 13 55.974 0.2 . 1 . . . . 703 PHE CA . 16613 1 2070 . 1 1 181 181 PHE CB C 13 41.609 0.2 . 1 . . . . 703 PHE CB . 16613 1 2071 . 1 1 181 181 PHE CD1 C 13 132.082 0.2 . 3 . . . . 703 PHE CD1 . 16613 1 2072 . 1 1 181 181 PHE CE1 C 13 130.892 0.2 . 3 . . . . 703 PHE CE1 . 16613 1 2073 . 1 1 181 181 PHE CZ C 13 128.482 0.2 . 1 . . . . 703 PHE CZ . 16613 1 2074 . 1 1 181 181 PHE N N 15 118.171 0.2 . 1 . . . . 703 PHE N . 16613 1 2075 . 1 1 182 182 HIS H H 1 8.998 0.025 . 1 . . . . 704 HIS H . 16613 1 2076 . 1 1 182 182 HIS HA H 1 5.734 0.025 . 1 . . . . 704 HIS HA . 16613 1 2077 . 1 1 182 182 HIS HB2 H 1 2.788 0.025 . 2 . . . . 704 HIS HB2 . 16613 1 2078 . 1 1 182 182 HIS HB3 H 1 3.018 0.025 . 2 . . . . 704 HIS HB3 . 16613 1 2079 . 1 1 182 182 HIS HD2 H 1 6.636 0.025 . 1 . . . . 704 HIS HD2 . 16613 1 2080 . 1 1 182 182 HIS HE1 H 1 7.457 0.025 . 1 . . . . 704 HIS HE1 . 16613 1 2081 . 1 1 182 182 HIS CA C 13 54.329 0.2 . 1 . . . . 704 HIS CA . 16613 1 2082 . 1 1 182 182 HIS CB C 13 34.493 0.2 . 1 . . . . 704 HIS CB . 16613 1 2083 . 1 1 182 182 HIS CD2 C 13 117.373 0.2 . 1 . . . . 704 HIS CD2 . 16613 1 2084 . 1 1 182 182 HIS CE1 C 13 138.436 0.2 . 1 . . . . 704 HIS CE1 . 16613 1 2085 . 1 1 182 182 HIS N N 15 118.356 0.2 . 1 . . . . 704 HIS N . 16613 1 2086 . 1 1 183 183 LEU H H 1 8.572 0.025 . 1 . . . . 705 LEU H . 16613 1 2087 . 1 1 183 183 LEU HA H 1 5.017 0.025 . 1 . . . . 705 LEU HA . 16613 1 2088 . 1 1 183 183 LEU HB2 H 1 1.811 0.025 . 2 . . . . 705 LEU HB2 . 16613 1 2089 . 1 1 183 183 LEU HB3 H 1 1.366 0.025 . 2 . . . . 705 LEU HB3 . 16613 1 2090 . 1 1 183 183 LEU HD11 H 1 0.949 0.025 . 2 . . . . 705 LEU QD1 . 16613 1 2091 . 1 1 183 183 LEU HD12 H 1 0.949 0.025 . 2 . . . . 705 LEU QD1 . 16613 1 2092 . 1 1 183 183 LEU HD13 H 1 0.949 0.025 . 2 . . . . 705 LEU QD1 . 16613 1 2093 . 1 1 183 183 LEU HD21 H 1 0.809 0.025 . 2 . . . . 705 LEU QD2 . 16613 1 2094 . 1 1 183 183 LEU HD22 H 1 0.809 0.025 . 2 . . . . 705 LEU QD2 . 16613 1 2095 . 1 1 183 183 LEU HD23 H 1 0.809 0.025 . 2 . . . . 705 LEU QD2 . 16613 1 2096 . 1 1 183 183 LEU HG H 1 1.506 0.025 . 1 . . . . 705 LEU HG . 16613 1 2097 . 1 1 183 183 LEU CA C 13 54.642 0.2 . 1 . . . . 705 LEU CA . 16613 1 2098 . 1 1 183 183 LEU CB C 13 46.022 0.2 . 1 . . . . 705 LEU CB . 16613 1 2099 . 1 1 183 183 LEU CD1 C 13 23.458 0.2 . 2 . . . . 705 LEU CD1 . 16613 1 2100 . 1 1 183 183 LEU CD2 C 13 26.516 0.2 . 2 . . . . 705 LEU CD2 . 16613 1 2101 . 1 1 183 183 LEU CG C 13 28.125 0.2 . 1 . . . . 705 LEU CG . 16613 1 2102 . 1 1 183 183 LEU N N 15 121.740 0.2 . 1 . . . . 705 LEU N . 16613 1 2103 . 1 1 184 184 ASP H H 1 10.306 0.025 . 1 . . . . 706 ASP H . 16613 1 2104 . 1 1 184 184 ASP HA H 1 4.405 0.025 . 1 . . . . 706 ASP HA . 16613 1 2105 . 1 1 184 184 ASP HB2 H 1 3.004 0.025 . 2 . . . . 706 ASP HB2 . 16613 1 2106 . 1 1 184 184 ASP HB3 H 1 2.721 0.025 . 2 . . . . 706 ASP HB3 . 16613 1 2107 . 1 1 184 184 ASP CA C 13 55.703 0.2 . 1 . . . . 706 ASP CA . 16613 1 2108 . 1 1 184 184 ASP CB C 13 39.538 0.2 . 1 . . . . 706 ASP CB . 16613 1 2109 . 1 1 184 184 ASP N N 15 129.971 0.2 . 1 . . . . 706 ASP N . 16613 1 2110 . 1 1 185 185 GLY H H 1 9.197 0.025 . 1 . . . . 707 GLY H . 16613 1 2111 . 1 1 185 185 GLY HA2 H 1 3.537 0.025 . 2 . . . . 707 GLY HA2 . 16613 1 2112 . 1 1 185 185 GLY HA3 H 1 4.105 0.025 . 2 . . . . 707 GLY HA3 . 16613 1 2113 . 1 1 185 185 GLY CA C 13 45.556 0.2 . 1 . . . . 707 GLY CA . 16613 1 2114 . 1 1 185 185 GLY N N 15 104.466 0.2 . 1 . . . . 707 GLY N . 16613 1 2115 . 1 1 186 186 GLU H H 1 7.855 0.025 . 1 . . . . 708 GLU H . 16613 1 2116 . 1 1 186 186 GLU HA H 1 4.527 0.025 . 1 . . . . 708 GLU HA . 16613 1 2117 . 1 1 186 186 GLU HB2 H 1 2.037 0.025 . 2 . . . . 708 GLU HB2 . 16613 1 2118 . 1 1 186 186 GLU HB3 H 1 1.876 0.025 . 2 . . . . 708 GLU HB3 . 16613 1 2119 . 1 1 186 186 GLU HG2 H 1 2.117 0.025 . 2 . . . . 708 GLU HG2 . 16613 1 2120 . 1 1 186 186 GLU HG3 H 1 2.265 0.025 . 2 . . . . 708 GLU HG3 . 16613 1 2121 . 1 1 186 186 GLU CA C 13 54.677 0.2 . 1 . . . . 708 GLU CA . 16613 1 2122 . 1 1 186 186 GLU CB C 13 32.118 0.2 . 1 . . . . 708 GLU CB . 16613 1 2123 . 1 1 186 186 GLU CG C 13 36.256 0.2 . 1 . . . . 708 GLU CG . 16613 1 2124 . 1 1 186 186 GLU N N 15 121.744 0.2 . 1 . . . . 708 GLU N . 16613 1 2125 . 1 1 187 187 VAL H H 1 8.426 0.025 . 1 . . . . 709 VAL H . 16613 1 2126 . 1 1 187 187 VAL HA H 1 4.508 0.025 . 1 . . . . 709 VAL HA . 16613 1 2127 . 1 1 187 187 VAL HB H 1 1.870 0.025 . 1 . . . . 709 VAL HB . 16613 1 2128 . 1 1 187 187 VAL HG11 H 1 0.890 0.025 . 2 . . . . 709 VAL QG1 . 16613 1 2129 . 1 1 187 187 VAL HG12 H 1 0.890 0.025 . 2 . . . . 709 VAL QG1 . 16613 1 2130 . 1 1 187 187 VAL HG13 H 1 0.890 0.025 . 2 . . . . 709 VAL QG1 . 16613 1 2131 . 1 1 187 187 VAL HG21 H 1 0.782 0.025 . 2 . . . . 709 VAL QG2 . 16613 1 2132 . 1 1 187 187 VAL HG22 H 1 0.782 0.025 . 2 . . . . 709 VAL QG2 . 16613 1 2133 . 1 1 187 187 VAL HG23 H 1 0.782 0.025 . 2 . . . . 709 VAL QG2 . 16613 1 2134 . 1 1 187 187 VAL CA C 13 62.467 0.2 . 1 . . . . 709 VAL CA . 16613 1 2135 . 1 1 187 187 VAL CB C 13 32.115 0.2 . 1 . . . . 709 VAL CB . 16613 1 2136 . 1 1 187 187 VAL CG1 C 13 21.406 0.2 . 2 . . . . 709 VAL CG1 . 16613 1 2137 . 1 1 187 187 VAL CG2 C 13 21.910 0.2 . 2 . . . . 709 VAL CG2 . 16613 1 2138 . 1 1 187 187 VAL N N 15 124.601 0.2 . 1 . . . . 709 VAL N . 16613 1 2139 . 1 1 188 188 LEU H H 1 8.652 0.025 . 1 . . . . 710 LEU H . 16613 1 2140 . 1 1 188 188 LEU HA H 1 4.777 0.025 . 1 . . . . 710 LEU HA . 16613 1 2141 . 1 1 188 188 LEU HB2 H 1 1.538 0.025 . 2 . . . . 710 LEU HB2 . 16613 1 2142 . 1 1 188 188 LEU HB3 H 1 1.361 0.025 . 2 . . . . 710 LEU HB3 . 16613 1 2143 . 1 1 188 188 LEU HD11 H 1 0.741 0.025 . 2 . . . . 710 LEU QQD . 16613 1 2144 . 1 1 188 188 LEU HD12 H 1 0.741 0.025 . 2 . . . . 710 LEU QQD . 16613 1 2145 . 1 1 188 188 LEU HD13 H 1 0.741 0.025 . 2 . . . . 710 LEU QQD . 16613 1 2146 . 1 1 188 188 LEU HD21 H 1 0.741 0.025 . 2 . . . . 710 LEU QQD . 16613 1 2147 . 1 1 188 188 LEU HD22 H 1 0.741 0.025 . 2 . . . . 710 LEU QQD . 16613 1 2148 . 1 1 188 188 LEU HD23 H 1 0.741 0.025 . 2 . . . . 710 LEU QQD . 16613 1 2149 . 1 1 188 188 LEU HG H 1 1.665 0.025 . 1 . . . . 710 LEU HG . 16613 1 2150 . 1 1 188 188 LEU CA C 13 53.438 0.2 . 1 . . . . 710 LEU CA . 16613 1 2151 . 1 1 188 188 LEU CB C 13 45.942 0.2 . 1 . . . . 710 LEU CB . 16613 1 2152 . 1 1 188 188 LEU CD1 C 13 24.421 0.2 . 2 . . . . 710 LEU CD1 . 16613 1 2153 . 1 1 188 188 LEU CD2 C 13 24.507 0.2 . 2 . . . . 710 LEU CD2 . 16613 1 2154 . 1 1 188 188 LEU CG C 13 27.000 0.2 . 1 . . . . 710 LEU CG . 16613 1 2155 . 1 1 188 188 LEU N N 15 128.708 0.2 . 1 . . . . 710 LEU N . 16613 1 2156 . 1 1 189 189 SER H H 1 8.075 0.025 . 1 . . . . 711 SER H . 16613 1 2157 . 1 1 189 189 SER HA H 1 4.493 0.025 . 1 . . . . 711 SER HA . 16613 1 2158 . 1 1 189 189 SER HB2 H 1 4.016 0.025 . 2 . . . . 711 SER HB2 . 16613 1 2159 . 1 1 189 189 SER HB3 H 1 4.335 0.025 . 2 . . . . 711 SER HB3 . 16613 1 2160 . 1 1 189 189 SER CA C 13 57.053 0.2 . 1 . . . . 711 SER CA . 16613 1 2161 . 1 1 189 189 SER CB C 13 64.816 0.2 . 1 . . . . 711 SER CB . 16613 1 2162 . 1 1 189 189 SER N N 15 118.121 0.2 . 1 . . . . 711 SER N . 16613 1 2163 . 1 1 190 190 LEU H H 1 9.473 0.025 . 1 . . . . 712 LEU H . 16613 1 2164 . 1 1 190 190 LEU HA H 1 3.773 0.025 . 1 . . . . 712 LEU HA . 16613 1 2165 . 1 1 190 190 LEU HB2 H 1 1.849 0.025 . 2 . . . . 712 LEU HB2 . 16613 1 2166 . 1 1 190 190 LEU HB3 H 1 1.424 0.025 . 2 . . . . 712 LEU HB3 . 16613 1 2167 . 1 1 190 190 LEU HD11 H 1 0.597 0.025 . 2 . . . . 712 LEU QD1 . 16613 1 2168 . 1 1 190 190 LEU HD12 H 1 0.597 0.025 . 2 . . . . 712 LEU QD1 . 16613 1 2169 . 1 1 190 190 LEU HD13 H 1 0.597 0.025 . 2 . . . . 712 LEU QD1 . 16613 1 2170 . 1 1 190 190 LEU HD21 H 1 0.015 0.025 . 2 . . . . 712 LEU QD2 . 16613 1 2171 . 1 1 190 190 LEU HD22 H 1 0.015 0.025 . 2 . . . . 712 LEU QD2 . 16613 1 2172 . 1 1 190 190 LEU HD23 H 1 0.015 0.025 . 2 . . . . 712 LEU QD2 . 16613 1 2173 . 1 1 190 190 LEU HG H 1 1.134 0.025 . 1 . . . . 712 LEU HG . 16613 1 2174 . 1 1 190 190 LEU CA C 13 58.371 0.2 . 1 . . . . 712 LEU CA . 16613 1 2175 . 1 1 190 190 LEU CB C 13 41.642 0.2 . 1 . . . . 712 LEU CB . 16613 1 2176 . 1 1 190 190 LEU CD1 C 13 26.445 0.2 . 2 . . . . 712 LEU CD1 . 16613 1 2177 . 1 1 190 190 LEU CD2 C 13 23.404 0.2 . 2 . . . . 712 LEU CD2 . 16613 1 2178 . 1 1 190 190 LEU CG C 13 26.858 0.2 . 1 . . . . 712 LEU CG . 16613 1 2179 . 1 1 190 190 LEU N N 15 122.262 0.2 . 1 . . . . 712 LEU N . 16613 1 2180 . 1 1 191 191 ASP H H 1 8.344 0.025 . 1 . . . . 713 ASP H . 16613 1 2181 . 1 1 191 191 ASP HA H 1 4.088 0.025 . 1 . . . . 713 ASP HA . 16613 1 2182 . 1 1 191 191 ASP HB2 H 1 2.468 0.025 . 2 . . . . 713 ASP HB2 . 16613 1 2183 . 1 1 191 191 ASP HB3 H 1 2.410 0.025 . 2 . . . . 713 ASP HB3 . 16613 1 2184 . 1 1 191 191 ASP CA C 13 57.502 0.2 . 1 . . . . 713 ASP CA . 16613 1 2185 . 1 1 191 191 ASP CB C 13 40.610 0.2 . 1 . . . . 713 ASP CB . 16613 1 2186 . 1 1 191 191 ASP N N 15 115.714 0.2 . 1 . . . . 713 ASP N . 16613 1 2187 . 1 1 192 192 LYS H H 1 7.611 0.025 . 1 . . . . 714 LYS H . 16613 1 2188 . 1 1 192 192 LYS HA H 1 3.976 0.025 . 1 . . . . 714 LYS HA . 16613 1 2189 . 1 1 192 192 LYS HB2 H 1 1.787 0.025 . 2 . . . . 714 LYS QB . 16613 1 2190 . 1 1 192 192 LYS HB3 H 1 1.787 0.025 . 2 . . . . 714 LYS QB . 16613 1 2191 . 1 1 192 192 LYS HD2 H 1 1.679 0.025 . 2 . . . . 714 LYS QD . 16613 1 2192 . 1 1 192 192 LYS HD3 H 1 1.679 0.025 . 2 . . . . 714 LYS QD . 16613 1 2193 . 1 1 192 192 LYS HE2 H 1 2.884 0.025 . 2 . . . . 714 LYS QE . 16613 1 2194 . 1 1 192 192 LYS HE3 H 1 2.884 0.025 . 2 . . . . 714 LYS QE . 16613 1 2195 . 1 1 192 192 LYS HG2 H 1 1.374 0.025 . 2 . . . . 714 LYS QG . 16613 1 2196 . 1 1 192 192 LYS HG3 H 1 1.374 0.025 . 2 . . . . 714 LYS QG . 16613 1 2197 . 1 1 192 192 LYS CA C 13 58.775 0.2 . 1 . . . . 714 LYS CA . 16613 1 2198 . 1 1 192 192 LYS CB C 13 32.401 0.2 . 1 . . . . 714 LYS CB . 16613 1 2199 . 1 1 192 192 LYS CD C 13 29.334 0.2 . 1 . . . . 714 LYS CD . 16613 1 2200 . 1 1 192 192 LYS CE C 13 42.333 0.2 . 1 . . . . 714 LYS CE . 16613 1 2201 . 1 1 192 192 LYS CG C 13 25.973 0.2 . 1 . . . . 714 LYS CG . 16613 1 2202 . 1 1 192 192 LYS N N 15 121.301 0.2 . 1 . . . . 714 LYS N . 16613 1 2203 . 1 1 193 193 LEU H H 1 8.752 0.025 . 1 . . . . 715 LEU H . 16613 1 2204 . 1 1 193 193 LEU HA H 1 3.712 0.025 . 1 . . . . 715 LEU HA . 16613 1 2205 . 1 1 193 193 LEU HB2 H 1 1.021 0.025 . 2 . . . . 715 LEU HB2 . 16613 1 2206 . 1 1 193 193 LEU HB3 H 1 1.646 0.025 . 2 . . . . 715 LEU HB3 . 16613 1 2207 . 1 1 193 193 LEU HD11 H 1 -0.057 0.025 . 2 . . . . 715 LEU QD1 . 16613 1 2208 . 1 1 193 193 LEU HD12 H 1 -0.057 0.025 . 2 . . . . 715 LEU QD1 . 16613 1 2209 . 1 1 193 193 LEU HD13 H 1 -0.057 0.025 . 2 . . . . 715 LEU QD1 . 16613 1 2210 . 1 1 193 193 LEU HD21 H 1 0.464 0.025 . 2 . . . . 715 LEU QD2 . 16613 1 2211 . 1 1 193 193 LEU HD22 H 1 0.464 0.025 . 2 . . . . 715 LEU QD2 . 16613 1 2212 . 1 1 193 193 LEU HD23 H 1 0.464 0.025 . 2 . . . . 715 LEU QD2 . 16613 1 2213 . 1 1 193 193 LEU HG H 1 0.913 0.025 . 1 . . . . 715 LEU HG . 16613 1 2214 . 1 1 193 193 LEU CA C 13 58.308 0.2 . 1 . . . . 715 LEU CA . 16613 1 2215 . 1 1 193 193 LEU CB C 13 40.912 0.2 . 1 . . . . 715 LEU CB . 16613 1 2216 . 1 1 193 193 LEU CD1 C 13 25.609 0.2 . 2 . . . . 715 LEU CD1 . 16613 1 2217 . 1 1 193 193 LEU CD2 C 13 24.746 0.2 . 2 . . . . 715 LEU CD2 . 16613 1 2218 . 1 1 193 193 LEU CG C 13 26.754 0.2 . 1 . . . . 715 LEU CG . 16613 1 2219 . 1 1 193 193 LEU N N 15 121.413 0.2 . 1 . . . . 715 LEU N . 16613 1 2220 . 1 1 194 194 LYS H H 1 8.247 0.025 . 1 . . . . 716 LYS H . 16613 1 2221 . 1 1 194 194 LYS HA H 1 3.372 0.025 . 1 . . . . 716 LYS HA . 16613 1 2222 . 1 1 194 194 LYS HB2 H 1 1.640 0.025 . 2 . . . . 716 LYS QB . 16613 1 2223 . 1 1 194 194 LYS HB3 H 1 1.640 0.025 . 2 . . . . 716 LYS QB . 16613 1 2224 . 1 1 194 194 LYS HD2 H 1 1.246 0.025 . 2 . . . . 716 LYS HD2 . 16613 1 2225 . 1 1 194 194 LYS HD3 H 1 1.288 0.025 . 2 . . . . 716 LYS HD3 . 16613 1 2226 . 1 1 194 194 LYS HE2 H 1 2.253 0.025 . 2 . . . . 716 LYS HE2 . 16613 1 2227 . 1 1 194 194 LYS HE3 H 1 2.496 0.025 . 2 . . . . 716 LYS HE3 . 16613 1 2228 . 1 1 194 194 LYS HG2 H 1 1.058 0.025 . 2 . . . . 716 LYS HG2 . 16613 1 2229 . 1 1 194 194 LYS HG3 H 1 0.700 0.025 . 2 . . . . 716 LYS HG3 . 16613 1 2230 . 1 1 194 194 LYS CA C 13 60.959 0.2 . 1 . . . . 716 LYS CA . 16613 1 2231 . 1 1 194 194 LYS CB C 13 32.060 0.2 . 1 . . . . 716 LYS CB . 16613 1 2232 . 1 1 194 194 LYS CD C 13 29.705 0.2 . 1 . . . . 716 LYS CD . 16613 1 2233 . 1 1 194 194 LYS CE C 13 41.831 0.2 . 1 . . . . 716 LYS CE . 16613 1 2234 . 1 1 194 194 LYS CG C 13 26.556 0.2 . 1 . . . . 716 LYS CG . 16613 1 2235 . 1 1 194 194 LYS N N 15 115.637 0.2 . 1 . . . . 716 LYS N . 16613 1 2236 . 1 1 195 195 SER H H 1 7.361 0.025 . 1 . . . . 717 SER H . 16613 1 2237 . 1 1 195 195 SER HA H 1 4.187 0.025 . 1 . . . . 717 SER HA . 16613 1 2238 . 1 1 195 195 SER HB2 H 1 3.901 0.025 . 2 . . . . 717 SER QB . 16613 1 2239 . 1 1 195 195 SER HB3 H 1 3.901 0.025 . 2 . . . . 717 SER QB . 16613 1 2240 . 1 1 195 195 SER CA C 13 61.431 0.2 . 1 . . . . 717 SER CA . 16613 1 2241 . 1 1 195 195 SER CB C 13 62.942 0.2 . 1 . . . . 717 SER CB . 16613 1 2242 . 1 1 195 195 SER N N 15 113.452 0.2 . 1 . . . . 717 SER N . 16613 1 2243 . 1 1 196 196 LEU H H 1 7.803 0.025 . 1 . . . . 718 LEU H . 16613 1 2244 . 1 1 196 196 LEU HA H 1 4.210 0.025 . 1 . . . . 718 LEU HA . 16613 1 2245 . 1 1 196 196 LEU HB2 H 1 1.488 0.025 . 2 . . . . 718 LEU HB2 . 16613 1 2246 . 1 1 196 196 LEU HB3 H 1 1.650 0.025 . 2 . . . . 718 LEU HB3 . 16613 1 2247 . 1 1 196 196 LEU HD11 H 1 0.778 0.025 . 2 . . . . 718 LEU QD1 . 16613 1 2248 . 1 1 196 196 LEU HD12 H 1 0.778 0.025 . 2 . . . . 718 LEU QD1 . 16613 1 2249 . 1 1 196 196 LEU HD13 H 1 0.778 0.025 . 2 . . . . 718 LEU QD1 . 16613 1 2250 . 1 1 196 196 LEU HD21 H 1 0.728 0.025 . 2 . . . . 718 LEU QD2 . 16613 1 2251 . 1 1 196 196 LEU HD22 H 1 0.728 0.025 . 2 . . . . 718 LEU QD2 . 16613 1 2252 . 1 1 196 196 LEU HD23 H 1 0.728 0.025 . 2 . . . . 718 LEU QD2 . 16613 1 2253 . 1 1 196 196 LEU HG H 1 1.652 0.025 . 1 . . . . 718 LEU HG . 16613 1 2254 . 1 1 196 196 LEU CA C 13 56.951 0.2 . 1 . . . . 718 LEU CA . 16613 1 2255 . 1 1 196 196 LEU CB C 13 42.238 0.2 . 1 . . . . 718 LEU CB . 16613 1 2256 . 1 1 196 196 LEU CD1 C 13 25.980 0.2 . 2 . . . . 718 LEU CD1 . 16613 1 2257 . 1 1 196 196 LEU CD2 C 13 24.361 0.2 . 2 . . . . 718 LEU CD2 . 16613 1 2258 . 1 1 196 196 LEU CG C 13 26.947 0.2 . 1 . . . . 718 LEU CG . 16613 1 2259 . 1 1 196 196 LEU N N 15 123.194 0.2 . 1 . . . . 718 LEU N . 16613 1 2260 . 1 1 197 197 LEU H H 1 7.536 0.025 . 1 . . . . 719 LEU H . 16613 1 2261 . 1 1 197 197 LEU HA H 1 4.106 0.025 . 1 . . . . 719 LEU HA . 16613 1 2262 . 1 1 197 197 LEU HB2 H 1 1.367 0.025 . 2 . . . . 719 LEU HB2 . 16613 1 2263 . 1 1 197 197 LEU HB3 H 1 1.480 0.025 . 2 . . . . 719 LEU HB3 . 16613 1 2264 . 1 1 197 197 LEU HD11 H 1 -0.782 0.025 . 2 . . . . 719 LEU QD1 . 16613 1 2265 . 1 1 197 197 LEU HD12 H 1 -0.782 0.025 . 2 . . . . 719 LEU QD1 . 16613 1 2266 . 1 1 197 197 LEU HD13 H 1 -0.782 0.025 . 2 . . . . 719 LEU QD1 . 16613 1 2267 . 1 1 197 197 LEU HD21 H 1 -0.011 0.025 . 2 . . . . 719 LEU QD2 . 16613 1 2268 . 1 1 197 197 LEU HD22 H 1 -0.011 0.025 . 2 . . . . 719 LEU QD2 . 16613 1 2269 . 1 1 197 197 LEU HD23 H 1 -0.011 0.025 . 2 . . . . 719 LEU QD2 . 16613 1 2270 . 1 1 197 197 LEU HG H 1 1.293 0.025 . 1 . . . . 719 LEU HG . 16613 1 2271 . 1 1 197 197 LEU CA C 13 55.438 0.2 . 1 . . . . 719 LEU CA . 16613 1 2272 . 1 1 197 197 LEU CB C 13 42.216 0.2 . 1 . . . . 719 LEU CB . 16613 1 2273 . 1 1 197 197 LEU CD1 C 13 20.656 0.2 . 2 . . . . 719 LEU CD1 . 16613 1 2274 . 1 1 197 197 LEU CD2 C 13 25.790 0.2 . 2 . . . . 719 LEU CD2 . 16613 1 2275 . 1 1 197 197 LEU CG C 13 25.757 0.2 . 1 . . . . 719 LEU CG . 16613 1 2276 . 1 1 197 197 LEU N N 15 118.301 0.2 . 1 . . . . 719 LEU N . 16613 1 2277 . 1 1 198 198 SER H H 1 7.198 0.025 . 1 . . . . 720 SER H . 16613 1 2278 . 1 1 198 198 SER HA H 1 4.129 0.025 . 1 . . . . 720 SER HA . 16613 1 2279 . 1 1 198 198 SER HB2 H 1 3.910 0.025 . 2 . . . . 720 SER QB . 16613 1 2280 . 1 1 198 198 SER HB3 H 1 3.910 0.025 . 2 . . . . 720 SER QB . 16613 1 2281 . 1 1 198 198 SER CA C 13 61.076 0.2 . 1 . . . . 720 SER CA . 16613 1 2282 . 1 1 198 198 SER CB C 13 64.855 0.2 . 1 . . . . 720 SER CB . 16613 1 2283 . 1 1 198 198 SER N N 15 118.401 0.2 . 1 . . . . 720 SER N . 16613 1 stop_ save_